NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
21231 |
2hd7   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 70 SER HA 76 LEU H 3.59 (#peak 5 #SUP 0.99 #QF 0.99)
&rst
ixpk= 5, nxpk= 0, iat=1162,1243, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 69 HIS HA 76 LEU H 5.05 (#peak 6 #SUP 0.77 #QF 0.77)
&rst
ixpk= 6, nxpk= 0, iat=1145,1243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 75 TYR HA 76 LEU H 3.01 (#peak 7 #SUP 0.90 #QF 0.90)
&rst
ixpk= 7, nxpk= 0, iat=1224,1243, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 70 SER QB 76 LEU H 4.37 (#peak 9 #SUP 0.97 #QF 0.97)
&rst
ixpk= 9, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1164,1165,
&end
#
# 75 TYR HB2 76 LEU H 4.75 (#peak 10 #SUP 0.99 #QF 0.99)
&rst
ixpk= 10, nxpk= 0, iat=1226,1243, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 75 TYR HB3 76 LEU H 4.75 (#peak 11 #SUP 0.97 #QF 0.97)
&rst
ixpk= 11, nxpk= 0, iat=1227,1243, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 76 LEU H 76 LEU HG 4.45 (#peak 12 #SUP 1.00)
&rst
ixpk= 12, nxpk= 0, iat=1243,1250, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 76 LEU H 76 LEU HB2 4.08 (#peak 13 #SUP 0.99 #QF 0.99)
&rst
ixpk= 13, nxpk= 0, iat=1243,1247, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 76 LEU H 76 LEU HB3 4.08 (#peak 15 #SUP 0.97 #QF 0.97)
&rst
ixpk= 15, nxpk= 0, iat=1243,1248, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 71 HIS H 76 LEU H 4.69 (#peak 18 #SUP 0.96 #QF 0.96)
&rst
ixpk= 18, nxpk= 0, iat=1171,1243, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 69 HIS H 76 LEU H 3.88 (#peak 19 #SUP 0.98 #QF 0.98)
&rst
ixpk= 19, nxpk= 0, iat=1143,1243, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 74 ASP QB 76 LEU H 5.29 (#peak 20 #SUP 0.94 #QF 0.94)
&rst
ixpk= 20, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1214,1215,
&end
#
# 65 PHE HA 66 LEU H 3.20 (#peak 22 #SUP 0.94 #QF 0.94)
&rst
ixpk= 22, nxpk= 0, iat=1063,1081, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 25 ASN HA 66 LEU H 4.12 (#peak 23 #SUP 0.92 #QF 0.92)
&rst
ixpk= 23, nxpk= 0, iat= 389,1081, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 25 ASN HB2 66 LEU H 4.67 (#peak 26 #SUP 0.97 #QF 0.97)
&rst
ixpk= 26, nxpk= 0, iat= 391,1081, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 65 PHE HB2 66 LEU H 4.14 (#peak 27 #SUP 0.77 #QF 0.77)
&rst
ixpk= 27, nxpk= 0, iat=1065,1081, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 25 ASN HB3 66 LEU H 4.67 (#peak 28 #SUP 0.96 #QF 0.85)
&rst
ixpk= 28, nxpk= 0, iat= 392,1081, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 66 LEU H 66 LEU HB3 3.59 (#peak 29 #SUP 0.93 #QF 0.93)
&rst
ixpk= 29, nxpk= 0, iat=1081,1086, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 66 LEU H 66 LEU HB2 3.48 (#peak 30 #SUP 0.97 #QF 0.97)
&rst
ixpk= 30, nxpk= 0, iat=1081,1085, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 83 TYR H 83 TYR HB2 3.87 (#peak 33 #SUP 0.98 #QF 0.98)
&rst
ixpk= 33, nxpk= 0, iat=1359,1363, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 83 TYR H 83 TYR HB3 3.78 (#peak 34 #SUP 1.00)
&rst
ixpk= 34, nxpk= 0, iat=1359,1364, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 82 ILE HA 83 TYR H 3.35 (#peak 35 #SUP 0.97 #QF 0.97)
&rst
ixpk= 35, nxpk= 0, iat=1342,1359, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 83 TYR H 122 GLU HA 3.80 (#peak 37 #SUP 0.94 #QF 0.94)
&rst
ixpk= 37, nxpk= 0, iat=1359,2016, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 83 TYR H 122 GLU HG2 4.67 (#peak 38 #SUP 0.98 #QF 0.98)
&rst
ixpk= 38, nxpk= 0, iat=1359,2021, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 83 TYR H 122 GLU QB 4.39 (#peak 39 #SUP 0.90 #QF 0.90)
&rst
ixpk= 39, nxpk= 0, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=2018,2019,
&end
#
# 83 TYR H 121 ILE HB 4.76 (#peak 40 #SUP 0.93 #QF 0.93)
&rst
ixpk= 40, nxpk= 0, iat=1359,1999, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 83 TYR H 121 ILE QG2 4.98 (#peak 42 #SUP 0.97 #QF 0.97)
&rst
ixpk= 42, nxpk= 0, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=2001,2002,2003,
&end
#
# 83 TYR H 123 ILE H 4.46 (#peak 44 #SUP 0.87 #QF 0.87)
&rst
ixpk= 44, nxpk= 0, iat=1359,2029, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 67 TYR H 78 SER H 4.23 (#peak 46 #SUP 0.94 #QF 0.94)
&rst
ixpk= 46, nxpk= 0, iat=1100,1277, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 65 PHE QD 67 TYR H 4.58 (#peak 47 #SUP 0.96 #QF 0.96)
&rst
ixpk= 47, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1069,1077,
&end
#
# 67 TYR H 67 TYR QD 4.28 (#peak 48 #SUP 0.93 #QF 0.93)
&rst
ixpk= 48, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1108,1117,
&end
#
# 66 LEU H 67 TYR H 4.57 (#peak 49 #SUP 0.95 #QF 0.95)
&rst
ixpk= 49, nxpk= 0, iat=1081,1100, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 67 TYR H 68 LYS H 4.60 (#peak 50 #SUP 0.99 #QF 0.99)
&rst
ixpk= 50, nxpk= 0, iat=1100,1121, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 67 TYR H 80 VAL H 4.04 (#peak 51 #SUP 0.98 #QF 0.98)
&rst
ixpk= 51, nxpk= 0, iat=1100,1304, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 67 TYR H 79 VAL HA 3.93 (#peak 54 #SUP 0.64 #QF 0.64)
&rst
ixpk= 54, nxpk= 0, iat=1100,1290, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 66 LEU HA 67 TYR H 3.18 (#peak 55 #SUP 0.95 #QF 0.95)
&rst
ixpk= 55, nxpk= 0, iat=1083,1100, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 67 TYR H 67 TYR HB2 3.56 (#peak 57 #SUP 0.96 #QF 0.96)
&rst
ixpk= 57, nxpk= 0, iat=1100,1104, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 67 TYR H 67 TYR HB3 3.70 (#peak 58 #SUP 0.96 #QF 0.96)
&rst
ixpk= 58, nxpk= 0, iat=1100,1105, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 66 LEU HB3 67 TYR H 4.77 (#peak 59 #SUP 0.83 #QF 0.83)
&rst
ixpk= 59, nxpk= 0, iat=1086,1100, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 66 LEU HB2 67 TYR H 4.72 (#peak 62 #SUP 1.00)
&rst
ixpk= 62, nxpk= 0, iat=1085,1100, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 40 LEU HG 41 ALA H 3.66 (#peak 64 #SUP 0.99 #QF 0.42)
&rst
ixpk= 64, nxpk= 0, iat= 649, 661, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 40 LEU HB3 41 ALA H 4.07 (#peak 65 #SUP 0.98 #QF 0.98)
&rst
ixpk= 65, nxpk= 0, iat= 647, 661, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 28 GLN HG3 41 ALA H 5.01 (#peak 66 #SUP 0.92 #QF 0.61)
&rst
ixpk= 66, nxpk= 0, iat= 446, 661, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 32 ASP H 38 ILE HG13 5.34 (#peak 66 #SUP 0.92 #QF 0.61)
&rst
ixpk= 66, nxpk= 0, iat= 508, 615, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 31 ILE QG2 32 ASP H 3.52 (#peak 67 #SUP 0.99 #QF 0.99)
&rst
ixpk= 67, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 495, 496, 497,
&end
#
# 32 ASP H 32 ASP HB2 3.57 (#peak 68 #SUP 0.98 #QF 0.98)
&rst
ixpk= 68, nxpk= 0, iat= 508, 512, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 32 ASP H 32 ASP HB3 3.57 (#peak 69 #SUP 0.96 #QF 0.96)
&rst
ixpk= 69, nxpk= 0, iat= 508, 513, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 31 ILE HA 32 ASP H 3.21 (#peak 70 #SUP 0.93 #QF 0.93)
&rst
ixpk= 70, nxpk= 0, iat= 491, 508, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 29 LEU HA 41 ALA H 3.82 (#peak 72 #SUP 0.98 #QF 0.98)
&rst
ixpk= 72, nxpk= 0, iat= 457, 661, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 30 GLU H 41 ALA H 5.14 (#peak 77 #SUP 0.97 #QF 0.97)
&rst
ixpk= 77, nxpk= 0, iat= 474, 661, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 32 ASP H 33 ILE H 4.20 (#peak 78 #SUP 0.64 #QF 0.64)
&rst
ixpk= 78, nxpk= 0, iat= 508, 520, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 32 ASP H 38 ILE HA 3.93 (#peak 79 #SUP 0.93 #QF 0.93)
&rst
ixpk= 79, nxpk= 0, iat= 508, 606, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 117 VAL QG1 118 ILE H 4.17 (#peak 81 #SUP 0.91 #QF 0.91)
&rst
ixpk= 81, nxpk= 0, iat= -1,1930, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1920,1921,1922,
&end
#
# 118 ILE H 118 ILE QG2 3.81 (#peak 82 #SUP 0.87 #QF 0.87)
&rst
ixpk= 82, nxpk= 0, iat=1930, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1936,1937,1938,
&end
#
# 118 ILE H 118 ILE HG13 3.86 (#peak 83 #SUP 0.98 #QF 0.98)
&rst
ixpk= 83, nxpk= 0, iat=1930,1941, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 122 GLU H 122 GLU QB 3.11 (#peak 84 #SUP 0.97 #QF 0.97)
&rst
ixpk= 84, nxpk= 0, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=2018,2019,
&end
#
# 122 GLU H 122 GLU HG3 3.79 (#peak 86 #SUP 0.90 #QF 0.90)
&rst
ixpk= 86, nxpk= 0, iat=2014,2022, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 121 ILE HB 122 GLU H 3.93 (#peak 87 #SUP 0.58 #QF 0.58)
&rst
ixpk= 87, nxpk= 0, iat=1999,2014, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 82 ILE QG2 122 GLU H 5.50 (#peak 88 #SUP 0.92 #QF 0.35)
&rst
ixpk= 88, nxpk= 0, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1346,1347,1348,
&end
#
# 121 ILE QD1 122 GLU H 5.50 (#peak 88 #SUP 0.92 #QF 0.35)
&rst
ixpk= 88, nxpk= 0, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2008,2009,2010,
&end
#
# 80 VAL HA 118 ILE H 4.11 (#peak 89 #SUP 0.90 #QF 0.90)
&rst
ixpk= 89, nxpk= 0, iat=1306,1930, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 118 ILE H 119 ARG H 3.65 (#peak 90 #SUP 0.99 #QF 0.99)
&rst
ixpk= 90, nxpk= 0, iat=1930,1949, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 122 GLU H 123 ILE H 4.42 (#peak 91 #SUP 0.70 #QF 0.70)
&rst
ixpk= 91, nxpk= 0, iat=2014,2029, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 117 VAL H 118 ILE H 4.65 (#peak 92 #SUP 0.57 #QF 0.57)
&rst
ixpk= 92, nxpk= 0, iat=1914,1930, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 79 VAL H 118 ILE H 4.48 (#peak 93 #SUP 0.95 #QF 0.93)
&rst
ixpk= 93, nxpk= 0, iat=1288,1930, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 118 ILE H 118 ILE HG12 3.86 (#peak 95 #SUP 0.95 #QF 0.95)
&rst
ixpk= 95, nxpk= 0, iat=1930,1940, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 25 ASN HD22 46 THR H 3.95 (#peak 97 #SUP 0.90 #QF 0.90)
&rst
ixpk= 97, nxpk= 0, iat= 397, 728, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 26 TYR HB2 46 THR H 4.41 (#peak 101 #SUP 0.95 #QF 0.95)
&rst
ixpk= 101, nxpk= 0, iat= 405, 728, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 26 TYR HB3 46 THR H 4.41 (#peak 102 #SUP 0.99 #QF 0.99)
&rst
ixpk= 102, nxpk= 0, iat= 406, 728, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 45 ASN QB 46 THR H 3.84 (#peak 103 #SUP 0.99 #QF 0.99)
&rst
ixpk= 103, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 718, 719,
&end
#
# 46 THR H 50 ASP QB 5.50 (#peak 104 #SUP 0.44 #QF 0.44)
&rst
ixpk= 104, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 804, 805,
&end
#
# 46 THR H 46 THR QG2 4.18 (#peak 106 #SUP 0.87 #QF 0.87)
&rst
ixpk= 106, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 734, 735, 736,
&end
#
# 45 ASN HA 46 THR H 2.95 (#peak 107 #SUP 0.85 #QF 0.85)
&rst
ixpk= 107, nxpk= 0, iat= 716, 728, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 71 HIS HA 72 GLU H 3.00 (#peak 108 #SUP 0.94 #QF 0.94)
&rst
ixpk= 108, nxpk= 0, iat=1173,1188, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 29 LEU H 63 HIS HA 4.46 (#peak 109 #SUP 0.82 #QF 0.60)
&rst
ixpk= 109, nxpk= 0, iat= 455,1026, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 28 GLN HA 29 LEU H 3.38 (#peak 111 #SUP 0.98 #QF 0.98)
&rst
ixpk= 111, nxpk= 0, iat= 440, 455, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 29 LEU H 62 TYR H 4.21 (#peak 113 #SUP 0.83 #QF 0.83)
&rst
ixpk= 113, nxpk= 0, iat= 455,1003, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 28 GLN HE22 29 LEU H 4.39 (#peak 115 #SUP 0.39 #QF 0.39)
&rst
ixpk= 115, nxpk= 0, iat= 451, 455, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 72 GLU H 72 GLU HA 2.89 (#peak 120 #SUP 0.99 #QF 0.99)
&rst
ixpk= 120, nxpk= 0, iat=1188,1190, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 29 LEU H 62 TYR HB2 4.29 (#peak 122 #SUP 0.58 #QF 0.58)
&rst
ixpk= 122, nxpk= 0, iat= 455,1007, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 71 HIS HB2 72 GLU H 4.30 (#peak 123 #SUP 0.83 #QF 0.83)
&rst
ixpk= 123, nxpk= 0, iat=1175,1188, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 71 HIS HB3 72 GLU H 4.30 (#peak 124 #SUP 0.73 #QF 0.73)
&rst
ixpk= 124, nxpk= 0, iat=1176,1188, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 72 GLU H 72 GLU HG2 3.53 (#peak 125 #SUP 0.95 #QF 0.95)
&rst
ixpk= 125, nxpk= 0, iat=1188,1195, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 28 GLN HG3 29 LEU H 3.56 (#peak 126 #SUP 0.70 #QF 0.70)
&rst
ixpk= 126, nxpk= 0, iat= 446, 455, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 29 LEU H 29 LEU HB2 3.63 (#peak 127 #SUP 0.93 #QF 0.66)
&rst
ixpk= 127, nxpk= 0, iat= 455, 459, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 28 GLN HB3 29 LEU H 4.65 (#peak 128 #SUP 0.98 #QF 0.98)
&rst
ixpk= 128, nxpk= 0, iat= 443, 455, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 72 GLU H 72 GLU HG3 3.53 (#peak 129 #SUP 0.98 #QF 0.98)
&rst
ixpk= 129, nxpk= 0, iat=1188,1196, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 29 LEU H 29 LEU QD1 4.17 (#peak 130 #SUP 0.94 #QF 0.94)
&rst
ixpk= 130, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 464, 465, 466,
&end
#
# 29 LEU H 29 LEU QD2 4.17 (#peak 131 #SUP 0.94 #QF 0.94)
&rst
ixpk= 131, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 468, 469, 470,
&end
#
# 28 GLN HE21 29 LEU H 4.79 (#peak 134 #SUP 0.99 #QF 0.53)
&rst
ixpk= 134, nxpk= 0, iat= 450, 455, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 29 LEU H 30 GLU H 5.24 (#peak 134 #SUP 0.99 #QF 0.53)
&rst
ixpk= 134, nxpk= 0, iat= 455, 474, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 28 GLN H 43 THR HA 3.82 (#peak 137 #SUP 0.85 #QF 0.85)
&rst
ixpk= 137, nxpk= 0, iat= 438, 687, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 28 GLN H 43 THR HB 5.45 (#peak 138 #SUP 0.94 #QF 0.94)
&rst
ixpk= 138, nxpk= 0, iat= 438, 689, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 27 VAL HA 28 GLN H 3.02 (#peak 139 #SUP 0.97 #QF 0.97)
&rst
ixpk= 139, nxpk= 0, iat= 424, 438, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 28 GLN H 40 LEU HA 5.39 (#peak 141 #SUP 0.99 #QF 0.99)
&rst
ixpk= 141, nxpk= 0, iat= 438, 644, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 28 GLN H 42 ASN H 3.78 (#peak 143 #SUP 0.97 #QF 0.97)
&rst
ixpk= 143, nxpk= 0, iat= 438, 671, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 28 GLN H 28 GLN HE21 5.34 (#peak 145 #SUP 0.94 #QF 0.94)
&rst
ixpk= 145, nxpk= 0, iat= 438, 450, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 28 GLN H 29 LEU H 4.35 (#peak 146 #SUP 0.80 #QF 0.80)
&rst
ixpk= 146, nxpk= 0, iat= 438, 455, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 28 GLN H 28 GLN HB2 3.96 (#peak 147 #SUP 0.97 #QF 0.97)
&rst
ixpk= 147, nxpk= 0, iat= 438, 442, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 28 GLN H 28 GLN HB3 3.85 (#peak 148 #SUP 0.97 #QF 0.97)
&rst
ixpk= 148, nxpk= 0, iat= 438, 443, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 27 VAL HB 28 GLN H 4.25 (#peak 149 #SUP 0.95 #QF 0.95)
&rst
ixpk= 149, nxpk= 0, iat= 426, 438, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 28 GLN H 43 THR QG2 3.67 (#peak 150 #SUP 0.71 #QF 0.71)
&rst
ixpk= 150, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 691, 692, 693,
&end
#
# 27 VAL QG2 28 GLN H 4.26 (#peak 152 #SUP 0.92 #QF 0.92)
&rst
ixpk= 152, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 432, 433, 434,
&end
#
# 64 PHE HA 82 ILE H 3.85 (#peak 155 #SUP 0.82 #QF 0.82)
&rst
ixpk= 155, nxpk= 0, iat=1043,1340, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 81 PHE HA 82 ILE H 3.17 (#peak 156 #SUP 0.91 #QF 0.91)
&rst
ixpk= 156, nxpk= 0, iat=1322,1340, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 63 HIS HB2 82 ILE H 4.27 (#peak 158 #SUP 0.77 #QF 0.77)
&rst
ixpk= 158, nxpk= 0, iat=1028,1340, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 81 PHE QB 82 ILE H 4.06 (#peak 160 #SUP 0.95 #QF 0.95)
&rst
ixpk= 160, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1324,1325,
&end
#
# 82 ILE H 82 ILE HG13 4.29 (#peak 163 #SUP 0.78 #QF 0.78)
&rst
ixpk= 163, nxpk= 0, iat=1340,1351, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 82 ILE H 82 ILE QG2 4.27 (#peak 164 #SUP 0.93 #QF 0.53)
&rst
ixpk= 164, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1346,1347,1348,
&end
#
# 81 PHE H 82 ILE H 4.56 (#peak 165 #SUP 0.98 #QF 0.98)
&rst
ixpk= 165, nxpk= 0, iat=1320,1340, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 64 PHE QD 82 ILE H 5.26 (#peak 166 #SUP 0.94 #QF 0.94)
&rst
ixpk= 166, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1049,1057,
&end
#
# 81 PHE QE 82 ILE H 5.50 (#peak 167 #SUP 0.54 #QF 0.54)
&rst
ixpk= 167, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1330,1334,
&end
#
# 78 SER HB2 79 VAL H 4.11 (#peak 169 #SUP 0.98 #QF 0.98)
&rst
ixpk= 169, nxpk= 0, iat=1281,1288, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 78 SER HB3 79 VAL H 4.11 (#peak 170 #SUP 0.99 #QF 0.99)
&rst
ixpk= 170, nxpk= 0, iat=1282,1288, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 79 VAL H 117 VAL HA 4.34 (#peak 171 #SUP 0.89 #QF 0.89)
&rst
ixpk= 171, nxpk= 0, iat=1288,1916, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 78 SER HA 79 VAL H 3.03 (#peak 172 #SUP 0.93 #QF 0.93)
&rst
ixpk= 172, nxpk= 0, iat=1279,1288, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 79 VAL H 79 VAL HB 3.86 (#peak 173 #SUP 0.99 #QF 0.99)
&rst
ixpk= 173, nxpk= 0, iat=1288,1292, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 79 VAL H 118 ILE HB 5.36 (#peak 174 #SUP 1.00)
&rst
ixpk= 174, nxpk= 0, iat=1288,1934, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 59 SER H 60 ALA H 4.46 (#peak 179 #SUP 0.84 #QF 0.84)
&rst
ixpk= 179, nxpk= 0, iat= 958, 969, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 59 SER HA 60 ALA H 3.04 (#peak 180 #SUP 0.91 #QF 0.91)
&rst
ixpk= 180, nxpk= 0, iat= 960, 969, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 4 VAL HA 5 ALA H 2.80 (#peak 181 #SUP 0.96 #QF 0.96)
&rst
ixpk= 181, nxpk= 0, iat= 40, 54, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 59 SER QB 60 ALA H 3.52 (#peak 183 #SUP 0.95 #QF 0.95)
&rst
ixpk= 183, nxpk= 0, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 962, 963,
&end
#
# 60 ALA H 83 TYR QE 5.50 (#peak 184 #SUP 1.00)
&rst
ixpk= 184, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1369,1374,
&end
#
# 119 ARG HA 120 LYS H 3.21 (#peak 190 #SUP 0.96 #QF 0.96)
&rst
ixpk= 190, nxpk= 0, iat=1951,1973, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 119 ARG QD 120 LYS H 3.71 (#peak 191 #SUP 0.97 #QF 0.97)
&rst
ixpk= 191, nxpk= 0, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1959,1960,
&end
#
# 120 LYS H 120 LYS HB2 3.94 (#peak 192 #SUP 0.96 #QF 0.96)
&rst
ixpk= 192, nxpk= 0, iat=1973,1977, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 120 LYS H 120 LYS HB3 3.94 (#peak 193 #SUP 0.97 #QF 0.97)
&rst
ixpk= 193, nxpk= 0, iat=1973,1978, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 119 ARG HG2 120 LYS H 4.51 (#peak 195 #SUP 0.90 #QF 0.70)
&rst
ixpk= 195, nxpk= 0, iat=1956,1973, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 119 ARG HG3 120 LYS H 4.51 (#peak 196 #SUP 0.99 #QF 0.75)
&rst
ixpk= 196, nxpk= 0, iat=1957,1973, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 119 ARG H 120 LYS H 4.49 (#peak 200 #SUP 0.81 #QF 0.81)
&rst
ixpk= 200, nxpk= 0, iat=1949,1973, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 46 THR H 47 GLU H 4.43 (#peak 202 #SUP 0.99 #QF 0.99)
&rst
ixpk= 202, nxpk= 0, iat= 728, 742, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 47 GLU H 48 LEU H 4.63 (#peak 203 #SUP 0.97 #QF 0.97)
&rst
ixpk= 203, nxpk= 0, iat= 742, 757, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 46 THR HA 47 GLU H 2.95 (#peak 207 #SUP 0.94 #QF 0.94)
&rst
ixpk= 207, nxpk= 0, iat= 730, 742, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 46 THR HB 47 GLU H 4.52 (#peak 209 #SUP 0.99 #QF 0.99)
&rst
ixpk= 209, nxpk= 0, iat= 732, 742, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 47 GLU H 47 GLU HB2 3.80 (#peak 210 #SUP 0.96 #QF 0.65)
&rst
ixpk= 210, nxpk= 0, iat= 742, 746, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 47 GLU H 47 GLU HG2 3.92 (#peak 210 #SUP 0.96 #QF 0.65)
&rst
ixpk= 210, nxpk= 0, iat= 742, 749, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 47 GLU H 47 GLU HG3 3.92 (#peak 211 #SUP 0.83 #QF 0.83)
&rst
ixpk= 211, nxpk= 0, iat= 742, 750, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 47 GLU H 47 GLU HB3 3.80 (#peak 212 #SUP 0.97 #QF 0.97)
&rst
ixpk= 212, nxpk= 0, iat= 742, 747, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 47 GLU H 49 ARG QG 4.59 (#peak 213 #SUP 0.94 #QF 0.94)
&rst
ixpk= 213, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 783, 784,
&end
#
# 46 THR QG2 47 GLU H 3.71 (#peak 214 #SUP 0.99 #QF 0.99)
&rst
ixpk= 214, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 734, 735, 736,
&end
#
# 82 ILE HA 121 ILE H 4.23 (#peak 216 #SUP 0.92 #QF 0.92)
&rst
ixpk= 216, nxpk= 0, iat=1342,1995, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 81 PHE QB 121 ILE H 4.11 (#peak 217 #SUP 0.96 #QF 0.96)
&rst
ixpk= 217, nxpk= 0, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1324,1325,
&end
#
# 120 LYS HB2 121 ILE H 4.84 (#peak 218 #SUP 0.86 #QF 0.86)
&rst
ixpk= 218, nxpk= 0, iat=1977,1995, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 120 LYS HB3 121 ILE H 4.84 (#peak 219 #SUP 0.72 #QF 0.72)
&rst
ixpk= 219, nxpk= 0, iat=1978,1995, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 121 ILE H 121 ILE HB 3.49 (#peak 220 #SUP 0.99 #QF 0.99)
&rst
ixpk= 220, nxpk= 0, iat=1995,1999, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 120 LYS QG 121 ILE H 4.29 (#peak 221 #SUP 0.72 #QF 0.72)
&rst
ixpk= 221, nxpk= 0, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1980,1981,
&end
#
# 121 ILE H 121 ILE QD1 3.89 (#peak 224 #SUP 0.94 #QF 0.94)
&rst
ixpk= 224, nxpk= 0, iat=1995, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=2008,2009,2010,
&end
#
# 120 LYS HA 121 ILE H 3.30 (#peak 225 #SUP 0.97 #QF 0.97)
&rst
ixpk= 225, nxpk= 0, iat=1975,1995, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 120 LYS H 121 ILE H 4.45 (#peak 227 #SUP 1.00)
&rst
ixpk= 227, nxpk= 0, iat=1973,1995, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 83 TYR H 121 ILE H 5.32 (#peak 229 #SUP 0.95 #QF 0.95)
&rst
ixpk= 229, nxpk= 0, iat=1359,1995, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 43 THR HA 44 GLU H 3.55 (#peak 230 #SUP 0.99 #QF 0.99)
&rst
ixpk= 230, nxpk= 0, iat= 687, 699, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 43 THR HB 44 GLU H 4.69 (#peak 232 #SUP 0.99 #QF 0.99)
&rst
ixpk= 232, nxpk= 0, iat= 689, 699, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 42 ASN HA 44 GLU H 4.58 (#peak 233 #SUP 0.99 #QF 0.99)
&rst
ixpk= 233, nxpk= 0, iat= 673, 699, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 42 ASN HD22 44 GLU H 4.32 (#peak 235 #SUP 0.98 #QF 0.98)
&rst
ixpk= 235, nxpk= 0, iat= 681, 699, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 26 TYR QD 44 GLU H 4.50 (#peak 236 #SUP 0.34 #QF 0.34)
&rst
ixpk= 236, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 409, 418,
&end
#
# 42 ASN HD21 44 GLU H 4.61 (#peak 237 #SUP 0.95 #QF 0.95)
&rst
ixpk= 237, nxpk= 0, iat= 680, 699, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 42 ASN HB2 44 GLU H 4.79 (#peak 239 #SUP 0.99 #QF 0.99)
&rst
ixpk= 239, nxpk= 0, iat= 675, 699, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 42 ASN HB3 44 GLU H 4.79 (#peak 240 #SUP 0.90 #QF 0.90)
&rst
ixpk= 240, nxpk= 0, iat= 676, 699, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 44 GLU H 44 GLU QG 3.34 (#peak 241 #SUP 0.95 #QF 0.95)
&rst
ixpk= 241, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 706, 707,
&end
#
# 44 GLU H 44 GLU HB2 3.77 (#peak 242 #SUP 0.98 #QF 0.98)
&rst
ixpk= 242, nxpk= 0, iat= 699, 703, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 44 GLU H 44 GLU HB3 3.77 (#peak 243 #SUP 0.96 #QF 0.96)
&rst
ixpk= 243, nxpk= 0, iat= 699, 704, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 43 THR QG2 44 GLU H 4.46 (#peak 244 #SUP 0.93 #QF 0.93)
&rst
ixpk= 244, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 691, 692, 693,
&end
#
# 11 ASP QB 12 ALA H 3.63 (#peak 245 #SUP 0.99 #QF 0.99)
&rst
ixpk= 245, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 156, 157,
&end
#
# 12 ALA H 12 ALA QB 3.09 (#peak 248 #SUP 0.97 #QF 0.97)
&rst
ixpk= 248, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 168, 169, 170,
&end
#
# 12 ALA H 13 PHE HB2 5.49 (#peak 251 #SUP 0.98 #QF 0.98)
&rst
ixpk= 251, nxpk= 0, iat= 164, 178, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 12 ALA H 39 ILE HA 4.63 (#peak 256 #SUP 0.93 #QF 0.93)
&rst
ixpk= 256, nxpk= 0, iat= 164, 625, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 12 ALA H 40 LEU H 4.46 (#peak 258 #SUP 0.99 #QF 0.99)
&rst
ixpk= 258, nxpk= 0, iat= 164, 642, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 12 ALA H 13 PHE H 3.31 (#peak 259 #SUP 0.99 #QF 0.99)
&rst
ixpk= 259, nxpk= 0, iat= 164, 174, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 10 ARG H 12 ALA H 4.37 (#peak 260 #SUP 0.78 #QF 0.78)
&rst
ixpk= 260, nxpk= 0, iat= 128, 164, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 80 VAL H 81 PHE H 4.66 (#peak 265 #SUP 0.97 #QF 0.97)
&rst
ixpk= 265, nxpk= 0, iat=1304,1320, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 80 VAL H 118 ILE H 4.98 (#peak 268 #SUP 0.87 #QF 0.87)
&rst
ixpk= 268, nxpk= 0, iat=1304,1930, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 64 PHE HA 80 VAL H 4.57 (#peak 269 #SUP 0.99 #QF 0.99)
&rst
ixpk= 269, nxpk= 0, iat=1043,1304, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 47 GLU HA 48 LEU H 2.97 (#peak 270 #SUP 0.96 #QF 0.96)
&rst
ixpk= 270, nxpk= 0, iat= 744, 757, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 79 VAL HA 80 VAL H 3.00 (#peak 271 #SUP 0.87 #QF 0.87)
&rst
ixpk= 271, nxpk= 0, iat=1290,1304, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 66 LEU HA 80 VAL H 4.01 (#peak 272 #SUP 0.75 #QF 0.75)
&rst
ixpk= 272, nxpk= 0, iat=1083,1304, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 48 LEU H 49 ARG QD 5.44 (#peak 274 #SUP 0.93 #QF 0.29)
&rst
ixpk= 274, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 786, 787,
&end
#
# 67 TYR HB2 80 VAL H 5.50 (#peak 274 #SUP 0.93 #QF 0.29)
&rst
ixpk= 274, nxpk= 0, iat=1104,1304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 PHE HB2 80 VAL H 5.50 (#peak 275 #SUP 0.90 #QF 0.90)
&rst
ixpk= 275, nxpk= 0, iat=1065,1304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 PHE QB 80 VAL H 4.83 (#peak 276 #SUP 0.95 #QF 0.27)
&rst
ixpk= 276, nxpk= 0, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1045,1046,
&end
#
# 65 PHE HB3 80 VAL H 5.05 (#peak 276 #SUP 0.95 #QF 0.27)
&rst
ixpk= 276, nxpk= 0, iat=1066,1304, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 47 GLU HB2 48 LEU H 3.60 (#peak 277 #SUP 0.90 #QF 0.90)
&rst
ixpk= 277, nxpk= 0, iat= 746, 757, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 48 LEU H 48 LEU QB 2.83 (#peak 278 #SUP 0.96 #QF 0.96)
&rst
ixpk= 278, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 761, 762,
&end
#
# 47 GLU HB3 48 LEU H 3.60 (#peak 279 #SUP 0.99 #QF 0.99)
&rst
ixpk= 279, nxpk= 0, iat= 747, 757, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 48 LEU H 49 ARG QG 4.55 (#peak 280 #SUP 0.91 #QF 0.87)
&rst
ixpk= 280, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 783, 784,
&end
#
# 48 LEU H 48 LEU QD1 3.84 (#peak 281 #SUP 0.69 #QF 0.69)
&rst
ixpk= 281, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 766, 767, 768,
&end
#
# 48 LEU H 48 LEU QD2 3.84 (#peak 282 #SUP 0.99 #QF 0.94)
&rst
ixpk= 282, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 770, 771, 772,
&end
#
# 70 SER HA 71 HIS H 2.92 (#peak 285 #SUP 0.94 #QF 0.94)
&rst
ixpk= 285, nxpk= 0, iat=1162,1171, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 71 HIS H 75 TYR HA 4.15 (#peak 286 #SUP 0.85 #QF 0.85)
&rst
ixpk= 286, nxpk= 0, iat=1171,1224, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 9 SER HA 10 ARG H 3.13 (#peak 289 #SUP 0.71 #QF 0.71)
&rst
ixpk= 289, nxpk= 0, iat= 119, 128, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 69 HIS HD2 71 HIS H 5.23 (#peak 292 #SUP 0.93 #QF 0.93)
&rst
ixpk= 292, nxpk= 0, iat=1156,1171, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 71 HIS H 72 GLU H 4.43 (#peak 296 #SUP 0.95 #QF 0.95)
&rst
ixpk= 296, nxpk= 0, iat=1171,1188, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 70 SER QB 71 HIS H 3.44 (#peak 297 #SUP 0.97 #QF 0.97)
&rst
ixpk= 297, nxpk= 0, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=1164,1165,
&end
#
# 9 SER H 37 THR QG2 4.76 (#peak 300 #SUP 0.99 #QF 0.97)
&rst
ixpk= 300, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 596, 597, 598,
&end
#
# 9 SER H 39 ILE QG2 4.80 (#peak 300 #SUP 0.99 #QF 0.97)
&rst
ixpk= 300, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 629, 630, 631,
&end
#
# 10 ARG H 10 ARG QB 3.30 (#peak 302 #SUP 0.69 #QF 0.69)
&rst
ixpk= 302, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 132, 133,
&end
#
# 10 ARG H 39 ILE QG2 4.94 (#peak 303 #SUP 0.90 #QF 0.90)
&rst
ixpk= 303, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 629, 630, 631,
&end
#
# 8 ILE HG12 9 SER H 3.90 (#peak 304 #SUP 0.86 #QF 0.86)
&rst
ixpk= 304, nxpk= 0, iat= 108, 117, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 9 SER H 38 ILE HB 3.96 (#peak 305 #SUP 0.75 #QF 0.75)
&rst
ixpk= 305, nxpk= 0, iat= 117, 608, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 91 SER HA 92 ILE H 3.21 (#peak 308 #SUP 0.95 #QF 0.95)
&rst
ixpk= 308, nxpk= 0, iat=1477,1486, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 91 SER HB2 92 ILE H 3.86 (#peak 309 #SUP 0.94 #QF 0.94)
&rst
ixpk= 309, nxpk= 0, iat=1479,1486, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 91 SER HB3 92 ILE H 3.86 (#peak 310 #SUP 0.99 #QF 0.99)
&rst
ixpk= 310, nxpk= 0, iat=1480,1486, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 92 ILE H 92 ILE HB 3.34 (#peak 312 #SUP 0.98 #QF 0.98)
&rst
ixpk= 312, nxpk= 0, iat=1486,1490, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 92 ILE H 92 ILE HG13 3.94 (#peak 314 #SUP 0.98 #QF 0.98)
&rst
ixpk= 314, nxpk= 0, iat=1486,1497, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 92 ILE H 92 ILE QG2 3.99 (#peak 315 #SUP 0.98 #QF 0.98)
&rst
ixpk= 315, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1492,1493,1494,
&end
#
# 44 GLU QG 45 ASN H 4.20 (#peak 317 #SUP 0.84 #QF 0.84)
&rst
ixpk= 317, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 706, 707,
&end
#
# 44 GLU HB2 45 ASN H 3.82 (#peak 318 #SUP 0.99 #QF 0.99)
&rst
ixpk= 318, nxpk= 0, iat= 703, 714, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 44 GLU HB3 45 ASN H 3.82 (#peak 319 #SUP 0.98 #QF 0.98)
&rst
ixpk= 319, nxpk= 0, iat= 704, 714, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 45 ASN H 45 ASN QB 2.88 (#peak 321 #SUP 0.83 #QF 0.83)
&rst
ixpk= 321, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 718, 719,
&end
#
# 44 GLU HA 45 ASN H 2.91 (#peak 322 #SUP 0.82 #QF 0.82)
&rst
ixpk= 322, nxpk= 0, iat= 701, 714, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 45 ASN H 46 THR H 4.60 (#peak 325 #SUP 1.00)
&rst
ixpk= 325, nxpk= 0, iat= 714, 728, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 83 TYR HA 84 SER H 3.22 (#peak 326 #SUP 0.94 #QF 0.94)
&rst
ixpk= 326, nxpk= 0, iat=1361,1380, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 60 ALA HA 84 SER H 5.16 (#peak 327 #SUP 0.89 #QF 0.80)
&rst
ixpk= 327, nxpk= 0, iat= 971,1380, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 61 ARG HA 84 SER H 5.50 (#peak 327 #SUP 0.89 #QF 0.80)
&rst
ixpk= 327, nxpk= 0, iat= 981,1380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ILE QD1 84 SER H 5.31 (#peak 330 #SUP 0.82 #QF 0.82)
&rst
ixpk= 330, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 904, 905, 906,
&end
#
# 82 ILE QG2 84 SER H 4.41 (#peak 331 #SUP 0.99 #QF 0.99)
&rst
ixpk= 331, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1346,1347,1348,
&end
#
# 64 PHE QB 65 PHE H 3.75 (#peak 338 #SUP 0.92 #QF 0.50)
&rst
ixpk= 338, nxpk= 0, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1045,1046,
&end
#
# 65 PHE H 65 PHE HB2 3.62 (#peak 339 #SUP 0.94 #QF 0.94)
&rst
ixpk= 339, nxpk= 0, iat=1061,1065, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 65 PHE H 65 PHE HB3 3.82 (#peak 340 #SUP 0.66 #QF 0.66)
&rst
ixpk= 340, nxpk= 0, iat=1061,1066, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 69 HIS H 77 GLU HA 3.77 (#peak 341 #SUP 0.95 #QF 0.95)
&rst
ixpk= 341, nxpk= 0, iat=1143,1264, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 69 HIS H 76 LEU HA 5.47 (#peak 342 #SUP 0.75 #QF 0.75)
&rst
ixpk= 342, nxpk= 0, iat=1143,1245, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 68 LYS HA 69 HIS H 2.97 (#peak 345 #SUP 0.82 #QF 0.82)
&rst
ixpk= 345, nxpk= 0, iat=1123,1143, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 64 PHE HA 65 PHE H 3.08 (#peak 346 #SUP 0.94 #QF 0.94)
&rst
ixpk= 346, nxpk= 0, iat=1043,1061, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 69 HIS H 70 SER HA 5.30 (#peak 347 #SUP 0.92 #QF 0.35)
&rst
ixpk= 347, nxpk= 0, iat=1143,1162, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 65 PHE H 81 PHE HA 5.50 (#peak 347 #SUP 0.92 #QF 0.35)
&rst
ixpk= 347, nxpk= 0, iat=1061,1322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 HIS H 75 TYR QE 5.36 (#peak 348 #SUP 0.92 #QF 0.92)
&rst
ixpk= 348, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1232,1237,
&end
#
# 69 HIS H 78 SER H 5.19 (#peak 350 #SUP 0.99 #QF 0.99)
&rst
ixpk= 350, nxpk= 0, iat=1143,1277, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 69 HIS H 77 GLU H 5.03 (#peak 351 #SUP 0.93 #QF 0.93)
&rst
ixpk= 351, nxpk= 0, iat=1143,1262, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 69 HIS H 70 SER H 4.53 (#peak 353 #SUP 0.81 #QF 0.81)
&rst
ixpk= 353, nxpk= 0, iat=1143,1160, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 61 ARG H 84 SER H 3.82 (#peak 354 #SUP 0.96 #QF 0.96)
&rst
ixpk= 354, nxpk= 0, iat= 979,1380, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 83 TYR H 84 SER H 4.41 (#peak 355 #SUP 0.73 #QF 0.73)
&rst
ixpk= 355, nxpk= 0, iat=1359,1380, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 83 TYR QD 84 SER H 3.60 (#peak 357 #SUP 0.99 #QF 0.99)
&rst
ixpk= 357, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1367,1376,
&end
#
# 63 HIS HD2 84 SER H 4.00 (#peak 358 #SUP 0.86 #QF 0.86)
&rst
ixpk= 358, nxpk= 0, iat=1037,1380, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 83 TYR QE 84 SER H 4.47 (#peak 359 #SUP 0.99 #QF 0.99)
&rst
ixpk= 359, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1369,1374,
&end
#
# 30 GLU HA 31 ILE H 3.42 (#peak 362 #SUP 0.98 #QF 0.98)
&rst
ixpk= 362, nxpk= 0, iat= 476, 489, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 31 ILE H 98 TYR QE 4.23 (#peak 363 #SUP 0.95 #QF 0.95)
&rst
ixpk= 363, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1614,1619,
&end
#
# 31 ILE H 31 ILE QG2 3.88 (#peak 364 #SUP 0.94 #QF 0.94)
&rst
ixpk= 364, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 495, 496, 497,
&end
#
# 31 ILE H 31 ILE HB 3.65 (#peak 366 #SUP 0.96 #QF 0.96)
&rst
ixpk= 366, nxpk= 0, iat= 489, 493, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 14 GLN HA 17 GLU H 4.27 (#peak 368 #SUP 0.98 #QF 0.98)
&rst
ixpk= 368, nxpk= 0, iat= 196, 240, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 17 GLU H 17 GLU HG3 3.12 (#peak 369 #SUP 0.87 #QF 0.87)
&rst
ixpk= 369, nxpk= 0, iat= 240, 248, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 16 LEU HB2 17 GLU H 3.57 (#peak 370 #SUP 0.71 #QF 0.71)
&rst
ixpk= 370, nxpk= 0, iat= 225, 240, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 16 LEU HB3 17 GLU H 3.76 (#peak 371 #SUP 0.98 #QF 0.98)
&rst
ixpk= 371, nxpk= 0, iat= 226, 240, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 15 ALA QB 17 GLU H 4.72 (#peak 373 #SUP 1.00)
&rst
ixpk= 373, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 215, 216, 217,
&end
#
# 16 LEU QD2 17 GLU H 5.03 (#peak 374 #SUP 0.99 #QF 0.99)
&rst
ixpk= 374, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 234, 235, 236,
&end
#
# 16 LEU HA 18 LYS H 4.44 (#peak 378 #SUP 1.00 #QF 0.46)
&rst
ixpk= 378, nxpk= 0, iat= 223, 255, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 17 GLU HG3 18 LYS H 3.26 (#peak 380 #SUP 0.97 #QF 0.89)
&rst
ixpk= 380, nxpk= 0, iat= 248, 255, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 18 LYS H 18 LYS HG2 3.35 (#peak 381 #SUP 0.81 #QF 0.81)
&rst
ixpk= 381, nxpk= 0, iat= 255, 262, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 18 LYS H 18 LYS HB3 3.85 (#peak 382 #SUP 0.82 #QF 0.82)
&rst
ixpk= 382, nxpk= 0, iat= 255, 260, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 18 LYS H 18 LYS HG3 3.30 (#peak 383 #SUP 0.96 #QF 0.96)
&rst
ixpk= 383, nxpk= 0, iat= 255, 263, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 34 LYS H 34 LYS HB2 2.98 (#peak 385 #SUP 0.81 #QF 0.81)
&rst
ixpk= 385, nxpk= 0, iat= 539, 543, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 34 LYS H 34 LYS HB3 2.98 (#peak 386 #SUP 0.97 #QF 0.97)
&rst
ixpk= 386, nxpk= 0, iat= 539, 544, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 34 LYS H 34 LYS HG2 4.64 (#peak 387 #SUP 0.91 #QF 0.91)
&rst
ixpk= 387, nxpk= 0, iat= 539, 546, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 33 ILE QG2 34 LYS H 3.99 (#peak 388 #SUP 0.99 #QF 0.99)
&rst
ixpk= 388, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 526, 527, 528,
&end
#
# 32 ASP HA 34 LYS H 3.74 (#peak 392 #SUP 0.91 #QF 0.91)
&rst
ixpk= 392, nxpk= 0, iat= 510, 539, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 34 LYS H 35 ASN H 3.14 (#peak 393 #SUP 0.98 #QF 0.98)
&rst
ixpk= 393, nxpk= 0, iat= 539, 561, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 33 ILE H 34 LYS H 3.12 (#peak 394 #SUP 0.98 #QF 0.98)
&rst
ixpk= 394, nxpk= 0, iat= 520, 539, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 92 ILE H 93 ARG H 3.67 (#peak 398 #SUP 0.99 #QF 0.99)
&rst
ixpk= 398, nxpk= 0, iat=1486,1505, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 124 ASP H 126 GLY H 3.88 (#peak 401 #SUP 0.74 #QF 0.74)
&rst
ixpk= 401, nxpk= 0, iat=2048,2074, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 30 GLU H 39 ILE H 3.70 (#peak 402 #SUP 0.97 #QF 0.97)
&rst
ixpk= 402, nxpk= 0, iat= 474, 623, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 29 LEU HA 30 GLU H 3.10 (#peak 405 #SUP 0.95 #QF 0.95)
&rst
ixpk= 405, nxpk= 0, iat= 457, 474, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 30 GLU H 40 LEU HA 4.21 (#peak 408 #SUP 0.93 #QF 0.93)
&rst
ixpk= 408, nxpk= 0, iat= 474, 644, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 84 SER HA 124 ASP H 5.32 (#peak 409 #SUP 0.40 #QF 0.40)
&rst
ixpk= 409, nxpk= 0, iat=1382,2048, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 123 ILE HB 124 ASP H 3.28 (#peak 413 #SUP 0.90 #QF 0.68)
&rst
ixpk= 413, nxpk= 0, iat=2033,2048, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 91 SER H 91 SER HB3 4.01 (#peak 419 #SUP 0.94 #QF 0.94)
&rst
ixpk= 419, nxpk= 0, iat=1475,1480, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 91 SER H 91 SER HB2 4.01 (#peak 420 #SUP 0.99 #QF 0.99)
&rst
ixpk= 420, nxpk= 0, iat=1475,1479, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 90 CYS HA 91 SER H 3.11 (#peak 421 #SUP 0.82 #QF 0.82)
&rst
ixpk= 421, nxpk= 0, iat=1466,1475, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 38 ILE HA 39 ILE H 3.18 (#peak 424 #SUP 0.93 #QF 0.93)
&rst
ixpk= 424, nxpk= 0, iat= 606, 623, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 31 ILE HA 39 ILE H 4.04 (#peak 425 #SUP 0.94 #QF 0.94)
&rst
ixpk= 425, nxpk= 0, iat= 491, 623, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 39 ILE H 40 LEU HA 5.16 (#peak 426 #SUP 0.99 #QF 0.99)
&rst
ixpk= 426, nxpk= 0, iat= 623, 644, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 29 LEU HA 39 ILE H 5.03 (#peak 427 #SUP 0.99 #QF 0.99)
&rst
ixpk= 427, nxpk= 0, iat= 457, 623, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 63 HIS HA 64 PHE H 3.02 (#peak 428 #SUP 0.95 #QF 0.95)
&rst
ixpk= 428, nxpk= 0, iat=1026,1041, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 28 GLN HA 64 PHE H 4.42 (#peak 429 #SUP 0.91 #QF 0.91)
&rst
ixpk= 429, nxpk= 0, iat= 440,1041, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 64 PHE H 64 PHE QD 3.59 (#peak 431 #SUP 0.95 #QF 0.95)
&rst
ixpk= 431, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1049,1057,
&end
#
# 63 HIS HB2 64 PHE H 3.98 (#peak 432 #SUP 0.99 #QF 0.99)
&rst
ixpk= 432, nxpk= 0, iat=1028,1041, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 63 HIS HB3 64 PHE H 4.11 (#peak 433 #SUP 0.95 #QF 0.95)
&rst
ixpk= 433, nxpk= 0, iat=1029,1041, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 64 PHE H 64 PHE QB 3.56 (#peak 434 #SUP 0.98 #QF 0.98)
&rst
ixpk= 434, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1045,1046,
&end
#
# 27 VAL HB 64 PHE H 4.00 (#peak 435 #SUP 0.93 #QF 0.93)
&rst
ixpk= 435, nxpk= 0, iat= 426,1041, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 64 PHE H 82 ILE HB 5.13 (#peak 436 #SUP 0.66 #QF 0.66)
&rst
ixpk= 436, nxpk= 0, iat=1041,1344, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 64 PHE H 82 ILE QD1 4.92 (#peak 439 #SUP 0.94 #QF 0.94)
&rst
ixpk= 439, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1353,1354,1355,
&end
#
# 38 ILE QG2 39 ILE H 3.14 (#peak 442 #SUP 0.99 #QF 0.79)
&rst
ixpk= 442, nxpk= 0, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 610, 611, 612,
&end
#
# 39 ILE H 39 ILE HG12 4.31 (#peak 443 #SUP 0.94 #QF 0.94)
&rst
ixpk= 443, nxpk= 0, iat= 623, 633, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 29 LEU HB3 39 ILE H 4.79 (#peak 444 #SUP 0.99 #QF 0.86)
&rst
ixpk= 444, nxpk= 0, iat= 460, 623, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 38 ILE HG13 39 ILE H 5.24 (#peak 444 #SUP 0.99 #QF 0.86)
&rst
ixpk= 444, nxpk= 0, iat= 615, 623, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 39 ILE H 39 ILE HB 4.11 (#peak 446 #SUP 0.98 #QF 0.98)
&rst
ixpk= 446, nxpk= 0, iat= 623, 627, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 31 ILE HG13 39 ILE H 5.50 (#peak 447 #SUP 0.97 #QF 0.97)
&rst
ixpk= 447, nxpk= 0, iat= 500, 623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE H 39 ILE H 5.04 (#peak 449 #SUP 0.95 #QF 0.95)
&rst
ixpk= 449, nxpk= 0, iat= 489, 623, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 32 ASP H 39 ILE H 4.26 (#peak 450 #SUP 0.94 #QF 0.94)
&rst
ixpk= 450, nxpk= 0, iat= 508, 623, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 64 PHE H 65 PHE H 4.51 (#peak 451 #SUP 0.75 #QF 0.75)
&rst
ixpk= 451, nxpk= 0, iat=1041,1061, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 63 HIS H 64 PHE H 4.54 (#peak 452 #SUP 1.00)
&rst
ixpk= 452, nxpk= 0, iat=1024,1041, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 27 VAL H 64 PHE H 3.68 (#peak 453 #SUP 0.99 #QF 0.99)
&rst
ixpk= 453, nxpk= 0, iat= 422,1041, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 90 CYS HB3 91 SER H 4.45 (#peak 454 #SUP 0.57 #QF 0.57)
&rst
ixpk= 454, nxpk= 0, iat=1469,1475, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 91 SER H 94 GLU QB 4.19 (#peak 455 #SUP 0.94 #QF 0.94)
&rst
ixpk= 455, nxpk= 0, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1533,1534,
&end
#
# 91 SER H 94 GLU H 4.26 (#peak 456 #SUP 0.89 #QF 0.89)
&rst
ixpk= 456, nxpk= 0, iat=1475,1529, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 30 GLU H 40 LEU H 5.33 (#peak 458 #SUP 1.00)
&rst
ixpk= 458, nxpk= 0, iat= 474, 642, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 92 ILE HB 93 ARG H 3.28 (#peak 461 #SUP 0.99 #QF 0.85)
&rst
ixpk= 461, nxpk= 0, iat=1490,1505, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 93 ARG H 93 ARG HB2 3.91 (#peak 461 #SUP 0.99 #QF 0.85)
&rst
ixpk= 461, nxpk= 0, iat=1505,1509, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 93 ARG H 94 GLU QB 4.31 (#peak 462 #SUP 0.99 #QF 0.99)
&rst
ixpk= 462, nxpk= 0, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1533,1534,
&end
#
# 93 ARG H 93 ARG QD 4.43 (#peak 464 #SUP 0.73 #QF 0.73)
&rst
ixpk= 464, nxpk= 0, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1515,1516,
&end
#
# 91 SER HB3 93 ARG H 3.89 (#peak 466 #SUP 0.99 #QF 0.55)
&rst
ixpk= 466, nxpk= 0, iat=1480,1505, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 91 SER HB2 93 ARG H 3.89 (#peak 467 #SUP 0.99 #QF 0.99)
&rst
ixpk= 467, nxpk= 0, iat=1479,1505, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 91 SER HA 93 ARG H 4.73 (#peak 468 #SUP 0.93 #QF 0.93)
&rst
ixpk= 468, nxpk= 0, iat=1477,1505, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 107 GLU QB 108 ILE H 3.34 (#peak 472 #SUP 0.99 #QF 0.53)
&rst
ixpk= 472, nxpk= 0, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1747,1748,
&end
#
# 108 ILE H 108 ILE HB 3.46 (#peak 472 #SUP 0.99 #QF 0.53)
&rst
ixpk= 472, nxpk= 0, iat=1758,1762, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 108 ILE H 108 ILE HG12 3.79 (#peak 473 #SUP 0.99 #QF 0.99)
&rst
ixpk= 473, nxpk= 0, iat=1758,1768, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 108 ILE H 108 ILE HG13 3.79 (#peak 474 #SUP 0.99 #QF 0.99)
&rst
ixpk= 474, nxpk= 0, iat=1758,1769, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 108 ILE H 108 ILE QD1 3.56 (#peak 475 #SUP 0.82 #QF 0.82)
&rst
ixpk= 475, nxpk= 0, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1771,1772,1773,
&end
#
# 107 GLU H 108 ILE H 3.38 (#peak 476 #SUP 0.97 #QF 0.97)
&rst
ixpk= 476, nxpk= 0, iat=1743,1758, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 135 TYR H 135 TYR QD 4.40 (#peak 477 #SUP 0.96 #QF 0.96)
&rst
ixpk= 477, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=2210,2219,
&end
#
# 67 TYR QE 135 TYR H 4.62 (#peak 478 #SUP 0.89 #QF 0.89)
&rst
ixpk= 478, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1110,1115,
&end
#
# 127 ASP H 128 GLU H 3.29 (#peak 479 #SUP 0.97 #QF 0.97)
&rst
ixpk= 479, nxpk= 0, iat=2081,2093, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 126 GLY H 127 ASP H 3.36 (#peak 480 #SUP 0.91 #QF 0.91)
&rst
ixpk= 480, nxpk= 0, iat=2074,2081, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 127 ASP H 129 LEU H 4.46 (#peak 481 #SUP 0.89 #QF 0.89)
&rst
ixpk= 481, nxpk= 0, iat=2081,2108, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 133 PHE QD 134 LEU H 3.92 (#peak 483 #SUP 0.97 #QF 0.97)
&rst
ixpk= 483, nxpk= 0, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=2171,2179,
&end
#
# 133 PHE H 134 LEU H 3.34 (#peak 484 #SUP 0.58 #QF 0.58)
&rst
ixpk= 484, nxpk= 0, iat=2163,2183, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 76 LEU H 77 GLU H 4.63 (#peak 486 #SUP 0.99 #QF 0.99)
&rst
ixpk= 486, nxpk= 0, iat=1243,1262, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 95 ARG H 96 MET H 3.35 (#peak 488 #SUP 0.99 #QF 0.99)
&rst
ixpk= 488, nxpk= 0, iat=1544,1568, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 93 ARG H 95 ARG H 4.69 (#peak 489 #SUP 0.93 #QF 0.60)
&rst
ixpk= 489, nxpk= 0, iat=1505,1544, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 95 ARG H 97 LEU H 5.01 (#peak 489 #SUP 0.93 #QF 0.60)
&rst
ixpk= 489, nxpk= 0, iat=1544,1585, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 138 VAL H 139 HIS H 3.14 (#peak 490 #SUP 0.99 #QF 0.99)
&rst
ixpk= 490, nxpk= 0, iat=2250,2266, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 137 GLU H 139 HIS H 4.09 (#peak 491 #SUP 0.99 #QF 0.99)
&rst
ixpk= 491, nxpk= 0, iat=2235,2266, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 139 HIS H 139 HIS HD2 4.17 (#peak 492 #SUP 1.00)
&rst
ixpk= 492, nxpk= 0, iat=2266,2279, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 67 TYR QE 139 HIS H 5.50 (#peak 493 #SUP 0.97 #QF 0.97)
&rst
ixpk= 493, nxpk= 0, iat= -1,2266, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1110,1115,
&end
#
# 106 LEU H 106 LEU QD2 4.35 (#peak 497 #SUP 0.97 #QF 0.97)
&rst
ixpk= 497, nxpk= 0, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1737,1738,1739,
&end
#
# 106 LEU H 106 LEU QD1 4.35 (#peak 498 #SUP 0.95 #QF 0.95)
&rst
ixpk= 498, nxpk= 0, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1733,1734,1735,
&end
#
# 106 LEU H 108 ILE QD1 5.18 (#peak 499 #SUP 0.94 #QF 0.54)
&rst
ixpk= 499, nxpk= 0, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1771,1772,1773,
&end
#
# 106 LEU H 106 LEU HB2 3.62 (#peak 500 #SUP 0.97 #QF 0.97)
&rst
ixpk= 500, nxpk= 0, iat=1724,1728, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 76 LEU HB3 77 GLU H 3.75 (#peak 501 #SUP 0.97 #QF 0.97)
&rst
ixpk= 501, nxpk= 0, iat=1248,1262, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 134 LEU H 134 LEU HB2 3.14 (#peak 502 #SUP 0.98 #QF 0.98)
&rst
ixpk= 502, nxpk= 0, iat=2183,2187, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 77 GLU H 77 GLU HB3 4.16 (#peak 503 #SUP 0.85 #QF 0.85)
&rst
ixpk= 503, nxpk= 0, iat=1262,1267, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 77 GLU H 77 GLU HB2 4.16 (#peak 504 #SUP 0.84 #QF 0.84)
&rst
ixpk= 504, nxpk= 0, iat=1262,1266, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 133 PHE HB3 134 LEU H 3.60 (#peak 506 #SUP 0.97 #QF 0.97)
&rst
ixpk= 506, nxpk= 0, iat=2168,2183, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 131 ALA HA 134 LEU H 4.16 (#peak 508 #SUP 0.98 #QF 0.98)
&rst
ixpk= 508, nxpk= 0, iat=2143,2183, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 134 LEU H 134 LEU QD1 4.46 (#peak 510 #SUP 0.99 #QF 0.99)
&rst
ixpk= 510, nxpk= 0, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=2192,2193,2194,
&end
#
# 138 VAL H 138 VAL HB 2.99 (#peak 515 #SUP 0.95 #QF 0.95)
&rst
ixpk= 515, nxpk= 0, iat=2250,2254, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 127 ASP H 127 ASP QB 2.91 (#peak 516 #SUP 0.87 #QF 0.87)
&rst
ixpk= 516, nxpk= 0, iat=2081, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2=2085,2086,
&end
#
# 95 ARG H 95 ARG QD 4.26 (#peak 520 #SUP 0.98 #QF 0.98)
&rst
ixpk= 520, nxpk= 0, iat=1544, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1554,1555,
&end
#
# 94 GLU QB 95 ARG H 3.27 (#peak 523 #SUP 0.95 #QF 0.95)
&rst
ixpk= 523, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1=1533,1534,
&end
#
# 95 ARG H 95 ARG QB 3.02 (#peak 524 #SUP 0.96 #QF 0.96)
&rst
ixpk= 524, nxpk= 0, iat=1544, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2=1548,1549,
&end
#
# 104 PRO HG2 106 LEU H 4.99 (#peak 527 #SUP 0.88 #QF 0.48)
&rst
ixpk= 527, nxpk= 0, iat=1695,1724, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 106 LEU H 107 GLU QB 5.24 (#peak 527 #SUP 0.88 #QF 0.48)
&rst
ixpk= 527, nxpk= 0, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1747,1748,
&end
#
# 114 GLN QB 115 MET H 3.98 (#peak 528 #SUP 0.97 #QF 0.97)
&rst
ixpk= 528, nxpk= 0, iat= -1,1885, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1872,1873,
&end
#
# 115 MET H 115 MET HB2 3.67 (#peak 529 #SUP 0.98 #QF 0.98)
&rst
ixpk= 529, nxpk= 0, iat=1885,1889, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 115 MET H 115 MET HB3 3.67 (#peak 530 #SUP 0.97 #QF 0.97)
&rst
ixpk= 530, nxpk= 0, iat=1885,1890, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 3 GLY QA 4 VAL H 2.70 (#peak 532 #SUP 0.98 #QF 0.98)
&rst
ixpk= 532, nxpk= 0, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 33, 34,
&end
#
# 87 GLY QA 88 TYR H 3.13 (#peak 533 #SUP 0.99 #QF 0.99)
&rst
ixpk= 533, nxpk= 0, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1=1424,1425,
&end
#
# 88 TYR H 88 TYR QB 3.37 (#peak 534 #SUP 0.99 #QF 0.99)
&rst
ixpk= 534, nxpk= 0, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1433,1434,
&end
#
# 95 ARG QB 96 MET H 3.69 (#peak 536 #SUP 0.95 #QF 0.95)
&rst
ixpk= 536, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1548,1549,
&end
#
# 96 MET H 96 MET QB 2.90 (#peak 537 #SUP 0.90 #QF 0.90)
&rst
ixpk= 537, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1572,1573,
&end
#
# 96 MET H 96 MET HG3 3.81 (#peak 538 #SUP 0.99 #QF 0.99)
&rst
ixpk= 538, nxpk= 0, iat=1568,1576, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 96 MET H 96 MET HG2 3.81 (#peak 539 #SUP 0.97 #QF 0.97)
&rst
ixpk= 539, nxpk= 0, iat=1568,1575, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 93 ARG HA 96 MET H 3.79 (#peak 541 #SUP 0.84 #QF 0.84)
&rst
ixpk= 541, nxpk= 0, iat=1507,1568, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 92 ILE HA 96 MET H 4.91 (#peak 543 #SUP 0.96 #QF 0.96)
&rst
ixpk= 543, nxpk= 0, iat=1488,1568, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 138 VAL HB 139 HIS H 4.09 (#peak 544 #SUP 0.99 #QF 0.99)
&rst
ixpk= 544, nxpk= 0, iat=2254,2266, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 139 HIS H 139 HIS QB 3.19 (#peak 545 #SUP 0.98 #QF 0.98)
&rst
ixpk= 545, nxpk= 0, iat=2266, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=2270,2271,
&end
#
# 136 ASP HA 139 HIS H 3.88 (#peak 547 #SUP 0.83 #QF 0.83)
&rst
ixpk= 547, nxpk= 0, iat=2225,2266, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 16 LEU HA 20 SER H 4.84 (#peak 550 #SUP 0.98 #QF 0.38)
&rst
ixpk= 550, nxpk= 0, iat= 223, 296, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 17 GLU HA 20 SER H 5.09 (#peak 550 #SUP 0.98 #QF 0.38)
&rst
ixpk= 550, nxpk= 0, iat= 242, 296, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 20 SER H 20 SER QB 2.98 (#peak 554 #SUP 0.93 #QF 0.93)
&rst
ixpk= 554, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 300, 301,
&end
#
# 110 GLU H 110 GLU HG2 4.06 (#peak 555 #SUP 0.95 #QF 0.95)
&rst
ixpk= 555, nxpk= 0, iat=1793,1800, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 109 VAL HB 110 GLU H 4.18 (#peak 556 #SUP 0.97 #QF 0.38)
&rst
ixpk= 556, nxpk= 0, iat=1781,1793, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 20 SER H 21 LYS HD3 4.49 (#peak 557 #SUP 0.69 #QF 0.22)
&rst
ixpk= 557, nxpk= 0, iat= 296, 318, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 20 SER H 21 LYS HD2 4.49 (#peak 558 #SUP 0.99 #QF 0.99)
&rst
ixpk= 558, nxpk= 0, iat= 296, 317, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 19 LEU HB2 20 SER H 4.36 (#peak 559 #SUP 0.82 #QF 0.82)
&rst
ixpk= 559, nxpk= 0, iat= 281, 296, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 20 SER H 113 LEU QD1 5.36 (#peak 563 #SUP 0.84 #QF 0.84)
&rst
ixpk= 563, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1858,1859,1860,
&end
#
# 31 ILE QD1 98 TYR H 4.37 (#peak 565 #SUP 0.95 #QF 0.95)
&rst
ixpk= 565, nxpk= 0, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 502, 503, 504,
&end
#
# 97 LEU HB2 98 TYR H 3.85 (#peak 567 #SUP 0.96 #QF 0.96)
&rst
ixpk= 567, nxpk= 0, iat=1589,1604, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 97 LEU HB3 98 TYR H 3.60 (#peak 568 #SUP 0.91 #QF 0.91)
&rst
ixpk= 568, nxpk= 0, iat=1590,1604, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 98 TYR H 98 TYR HB2 3.65 (#peak 569 #SUP 0.97 #QF 0.97)
&rst
ixpk= 569, nxpk= 0, iat=1604,1608, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 23 GLN H 23 GLN HB2 3.86 (#peak 570 #SUP 0.93 #QF 0.93)
&rst
ixpk= 570, nxpk= 0, iat= 351, 355, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 23 GLN H 23 GLN HG2 3.40 (#peak 571 #SUP 0.92 #QF 0.92)
&rst
ixpk= 571, nxpk= 0, iat= 351, 358, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 23 GLN H 23 GLN HB3 3.86 (#peak 572 #SUP 0.99 #QF 0.99)
&rst
ixpk= 572, nxpk= 0, iat= 351, 356, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 18 LYS HB3 23 GLN H 4.92 (#peak 573 #SUP 0.96 #QF 0.36)
&rst
ixpk= 573, nxpk= 0, iat= 260, 351, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 23 GLN H 24 LEU HG 4.45 (#peak 574 #SUP 0.99 #QF 0.99)
&rst
ixpk= 574, nxpk= 0, iat= 351, 375, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 23 GLN H 24 LEU QD2 5.50 (#peak 575 #SUP 0.99 #QF 0.99)
&rst
ixpk= 575, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 381, 382, 383,
&end
#
# 19 LEU HB2 23 GLN H 5.50 (#peak 576 #SUP 0.96 #QF 0.21)
&rst
ixpk= 576, nxpk= 0, iat= 281, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ASN HB2 35 ASN HD21 3.90 (#peak 577 #SUP 0.93 #QF 0.93)
&rst
ixpk= 577, nxpk= 0, iat= 565, 570, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 11 ASP H 11 ASP QB 3.10 (#peak 579 #SUP 0.99 #QF 0.99)
&rst
ixpk= 579, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 156, 157,
&end
#
# 10 ARG QB 11 ASP H 3.39 (#peak 580 #SUP 0.94 #QF 0.94)
&rst
ixpk= 580, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 132, 133,
&end
#
# 11 ASP H 12 ALA QB 4.46 (#peak 582 #SUP 0.98 #QF 0.98)
&rst
ixpk= 582, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 168, 169, 170,
&end
#
# 10 ARG QD 11 ASP H 4.62 (#peak 586 #SUP 0.88 #QF 0.88)
&rst
ixpk= 586, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 138, 139,
&end
#
# 11 ASP H 14 GLN HB2 4.66 (#peak 588 #SUP 0.96 #QF 0.96)
&rst
ixpk= 588, nxpk= 0, iat= 152, 198, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 14 GLN H 14 GLN HB2 3.22 (#peak 589 #SUP 0.98 #QF 0.98)
&rst
ixpk= 589, nxpk= 0, iat= 194, 198, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 14 GLN H 14 GLN HG3 3.72 (#peak 590 #SUP 0.99 #QF 0.99)
&rst
ixpk= 590, nxpk= 0, iat= 194, 202, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 13 PHE HB2 14 GLN H 4.25 (#peak 592 #SUP 0.99 #QF 0.99)
&rst
ixpk= 592, nxpk= 0, iat= 178, 194, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 13 PHE HB3 14 GLN H 3.45 (#peak 593 #SUP 0.97 #QF 0.97)
&rst
ixpk= 593, nxpk= 0, iat= 179, 194, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 11 ASP HA 14 GLN H 3.76 (#peak 596 #SUP 0.99 #QF 0.99)
&rst
ixpk= 596, nxpk= 0, iat= 154, 194, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 11 ASP H 39 ILE QG2 5.23 (#peak 597 #SUP 0.96 #QF 0.96)
&rst
ixpk= 597, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 629, 630, 631,
&end
#
# 11 ASP H 12 ALA H 3.26 (#peak 599 #SUP 0.99 #QF 0.99)
&rst
ixpk= 599, nxpk= 0, iat= 152, 164, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 11 ASP H 40 LEU H 4.93 (#peak 600 #SUP 0.86 #QF 0.86)
&rst
ixpk= 600, nxpk= 0, iat= 152, 642, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 10 ARG H 11 ASP H 3.51 (#peak 602 #SUP 0.96 #QF 0.96)
&rst
ixpk= 602, nxpk= 0, iat= 128, 152, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 13 PHE QD 14 GLN H 4.48 (#peak 604 #SUP 0.98 #QF 0.98)
&rst
ixpk= 604, nxpk= 0, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 182, 190,
&end
#
# 98 TYR H 98 TYR QD 3.67 (#peak 606 #SUP 0.61 #QF 0.61)
&rst
ixpk= 606, nxpk= 0, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1612,1621,
&end
#
# 100 SER H 102 LYS H 4.26 (#peak 610 #SUP 0.78 #QF 0.78)
&rst
ixpk= 610, nxpk= 0, iat=1636,1658, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 109 VAL H 110 GLU H 3.60 (#peak 614 #SUP 0.98 #QF 0.98)
&rst
ixpk= 614, nxpk= 0, iat=1777,1793, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 136 ASP H 137 GLU H 3.14 (#peak 615 #SUP 0.59 #QF 0.59)
&rst
ixpk= 615, nxpk= 0, iat=2223,2235, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 135 TYR QD 136 ASP H 4.05 (#peak 616 #SUP 1.00)
&rst
ixpk= 616, nxpk= 0, iat= -1,2223, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=2210,2219,
&end
#
# 122 GLU HA 123 ILE H 3.20 (#peak 617 #SUP 0.94 #QF 0.94)
&rst
ixpk= 617, nxpk= 0, iat=2016,2029, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 131 ALA H 132 ASP H 3.22 (#peak 620 #SUP 0.99 #QF 0.99)
&rst
ixpk= 620, nxpk= 0, iat=2141,2151, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 132 ASP H 133 PHE H 3.16 (#peak 621 #SUP 0.95 #QF 0.95)
&rst
ixpk= 621, nxpk= 0, iat=2151,2163, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 132 ASP H 134 LEU H 4.21 (#peak 622 #SUP 0.99 #QF 0.99)
&rst
ixpk= 622, nxpk= 0, iat=2151,2183, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 112 GLN H 114 GLN H 4.51 (#peak 623 #SUP 0.99 #QF 0.99)
&rst
ixpk= 623, nxpk= 0, iat=1832,1868, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 100 SER H 101 CYS H 3.45 (#peak 627 #SUP 0.92 #QF 0.92)
&rst
ixpk= 627, nxpk= 0, iat=1636,1647, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 12 ALA H 14 GLN H 4.00 (#peak 629 #SUP 0.90 #QF 0.90)
&rst
ixpk= 629, nxpk= 0, iat= 164, 194, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 21 LYS H 22 LYS H 3.27 (#peak 630 #SUP 0.90 #QF 0.90)
&rst
ixpk= 630, nxpk= 0, iat= 307, 329, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 22 LYS H 24 LEU H 4.72 (#peak 631 #SUP 0.86 #QF 0.86)
&rst
ixpk= 631, nxpk= 0, iat= 329, 368, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 19 LEU HA 22 LYS H 4.33 (#peak 633 #SUP 0.92 #QF 0.64)
&rst
ixpk= 633, nxpk= 0, iat= 279, 329, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 20 SER HA 22 LYS H 4.66 (#peak 633 #SUP 0.92 #QF 0.64)
&rst
ixpk= 633, nxpk= 0, iat= 298, 329, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 22 LYS H 22 LYS HA 2.90 (#peak 634 #SUP 0.97 #QF 0.97)
&rst
ixpk= 634, nxpk= 0, iat= 329, 331, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 22 LYS H 22 LYS QE 5.05 (#peak 635 #SUP 0.92 #QF 0.92)
&rst
ixpk= 635, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 342, 343,
&end
#
# 22 LYS H 23 GLN HG2 4.48 (#peak 636 #SUP 0.89 #QF 0.89)
&rst
ixpk= 636, nxpk= 0, iat= 329, 358, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 22 LYS H 22 LYS HB2 4.01 (#peak 637 #SUP 0.99 #QF 0.99)
&rst
ixpk= 637, nxpk= 0, iat= 329, 333, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 49 ARG H 50 ASP QB 4.54 (#peak 639 #SUP 1.00)
&rst
ixpk= 639, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 804, 805,
&end
#
# 47 GLU HA 49 ARG H 4.20 (#peak 642 #SUP 1.00)
&rst
ixpk= 642, nxpk= 0, iat= 744, 776, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 48 LEU QB 49 ARG H 3.79 (#peak 643 #SUP 0.99 #QF 0.99)
&rst
ixpk= 643, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 761, 762,
&end
#
# 49 ARG H 49 ARG HB2 3.78 (#peak 644 #SUP 0.98 #QF 0.98)
&rst
ixpk= 644, nxpk= 0, iat= 776, 780, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 49 ARG H 49 ARG HB3 3.78 (#peak 645 #SUP 0.88 #QF 0.88)
&rst
ixpk= 645, nxpk= 0, iat= 776, 781, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 49 ARG H 49 ARG QG 3.15 (#peak 646 #SUP 0.98 #QF 0.98)
&rst
ixpk= 646, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 783, 784,
&end
#
# 48 LEU QD1 49 ARG H 4.88 (#peak 647 #SUP 0.99 #QF 0.99)
&rst
ixpk= 647, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 766, 767, 768,
&end
#
# 48 LEU QD2 49 ARG H 4.88 (#peak 648 #SUP 0.99 #QF 0.99)
&rst
ixpk= 648, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 770, 771, 772,
&end
#
# 49 ARG H 51 LEU H 4.00 (#peak 650 #SUP 0.97 #QF 0.97)
&rst
ixpk= 650, nxpk= 0, iat= 776, 812, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 49 ARG H 50 ASP H 3.37 (#peak 651 #SUP 0.99 #QF 0.99)
&rst
ixpk= 651, nxpk= 0, iat= 776, 800, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 48 LEU H 49 ARG H 3.63 (#peak 652 #SUP 0.98 #QF 0.98)
&rst
ixpk= 652, nxpk= 0, iat= 757, 776, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 47 GLU H 49 ARG H 4.75 (#peak 653 #SUP 0.92 #QF 0.92)
&rst
ixpk= 653, nxpk= 0, iat= 742, 776, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 42 ASN HA 43 THR H 2.91 (#peak 655 #SUP 0.93 #QF 0.93)
&rst
ixpk= 655, nxpk= 0, iat= 673, 685, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 43 THR H 44 GLU HA 4.32 (#peak 656 #SUP 0.95 #QF 0.95)
&rst
ixpk= 656, nxpk= 0, iat= 685, 701, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 43 THR H 44 GLU QG 4.21 (#peak 658 #SUP 0.92 #QF 0.92)
&rst
ixpk= 658, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 706, 707,
&end
#
# 43 THR H 43 THR QG2 3.64 (#peak 661 #SUP 0.95 #QF 0.95)
&rst
ixpk= 661, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 691, 692, 693,
&end
#
# 45 ASN QB 45 ASN HD21 3.63 (#peak 662 #SUP 0.94 #QF 0.94)
&rst
ixpk= 662, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 718, 719,
&end
#
# 130 THR H 130 THR QG2 3.21 (#peak 666 #SUP 0.97 #QF 0.96)
&rst
ixpk= 666, nxpk= 0, iat=2127, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=2133,2134,2135,
&end
#
# 130 THR H 134 LEU HG 3.61 (#peak 666 #SUP 0.97 #QF 0.96)
&rst
ixpk= 666, nxpk= 0, iat=2127,2190, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 130 THR H 133 PHE HB3 3.40 (#peak 669 #SUP 0.93 #QF 0.93)
&rst
ixpk= 669, nxpk= 0, iat=2127,2168, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 130 THR H 133 PHE HB2 3.71 (#peak 670 #SUP 0.97 #QF 0.97)
&rst
ixpk= 670, nxpk= 0, iat=2127,2167, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 129 LEU HA 130 THR H 3.01 (#peak 671 #SUP 0.92 #QF 0.92)
&rst
ixpk= 671, nxpk= 0, iat=2110,2127, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 130 THR H 133 PHE QD 4.05 (#peak 674 #SUP 0.89 #QF 0.89)
&rst
ixpk= 674, nxpk= 0, iat=2127, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=2171,2179,
&end
#
# 129 LEU H 130 THR H 4.55 (#peak 675 #SUP 0.93 #QF 0.93)
&rst
ixpk= 675, nxpk= 0, iat=2108,2127, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 130 THR H 134 LEU H 3.88 (#peak 676 #SUP 0.97 #QF 0.97)
&rst
ixpk= 676, nxpk= 0, iat=2127,2183, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 70 SER H 71 HIS H 4.48 (#peak 678 #SUP 0.99 #QF 0.99)
&rst
ixpk= 678, nxpk= 0, iat=1160,1171, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 69 HIS HD2 70 SER H 4.03 (#peak 680 #SUP 0.99 #QF 0.99)
&rst
ixpk= 680, nxpk= 0, iat=1156,1160, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 69 HIS HA 70 SER H 2.94 (#peak 683 #SUP 0.89 #QF 0.89)
&rst
ixpk= 683, nxpk= 0, iat=1145,1160, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 70 SER H 75 TYR HA 5.33 (#peak 684 #SUP 0.91 #QF 0.91)
&rst
ixpk= 684, nxpk= 0, iat=1160,1224, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 70 SER H 70 SER QB 3.47 (#peak 685 #SUP 0.98 #QF 0.98)
&rst
ixpk= 685, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1164,1165,
&end
#
# 69 HIS HB2 70 SER H 3.20 (#peak 686 #SUP 0.95 #QF 0.95)
&rst
ixpk= 686, nxpk= 0, iat=1147,1160, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 69 HIS HB3 70 SER H 3.77 (#peak 687 #SUP 0.99 #QF 0.99)
&rst
ixpk= 687, nxpk= 0, iat=1148,1160, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 125 ASN H 126 GLY H 4.21 (#peak 696 #SUP 0.99 #QF 0.99)
&rst
ixpk= 696, nxpk= 0, iat=2060,2074, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 125 ASN HA 126 GLY H 3.56 (#peak 697 #SUP 0.99 #QF 0.99)
&rst
ixpk= 697, nxpk= 0, iat=2062,2074, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 126 GLY H 127 ASP QB 4.52 (#peak 702 #SUP 0.91 #QF 0.91)
&rst
ixpk= 702, nxpk= 0, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=2085,2086,
&end
#
# 123 ILE HG12 126 GLY H 4.40 (#peak 706 #SUP 0.65 #QF 0.65)
&rst
ixpk= 706, nxpk= 0, iat=2039,2074, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 55 ILE QG2 126 GLY H 3.98 (#peak 707 #SUP 0.99 #QF 0.90)
&rst
ixpk= 707, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 897, 898, 899,
&end
#
# 123 ILE QG2 126 GLY H 4.25 (#peak 707 #SUP 0.99 #QF 0.90)
&rst
ixpk= 707, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=2035,2036,2037,
&end
#
# 87 GLY H 87 GLY QA 2.78 (#peak 708 #SUP 0.99 #QF 0.99)
&rst
ixpk= 708, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2=1424,1425,
&end
#
# 72 GLU H 73 GLY H 3.36 (#peak 710 #SUP 0.97 #QF 0.97)
&rst
ixpk= 710, nxpk= 0, iat=1188,1203, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 71 HIS H 73 GLY H 4.45 (#peak 711 #SUP 0.91 #QF 0.91)
&rst
ixpk= 711, nxpk= 0, iat=1171,1203, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 71 HIS HA 73 GLY H 3.82 (#peak 713 #SUP 0.88 #QF 0.88)
&rst
ixpk= 713, nxpk= 0, iat=1173,1203, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 72 GLU HA 73 GLY H 3.06 (#peak 716 #SUP 0.92 #QF 0.92)
&rst
ixpk= 716, nxpk= 0, iat=1190,1203, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 73 GLY H 74 ASP QB 4.72 (#peak 718 #SUP 0.79 #QF 0.79)
&rst
ixpk= 718, nxpk= 0, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1214,1215,
&end
#
# 72 GLU HB2 73 GLY H 4.52 (#peak 719 #SUP 0.97 #QF 0.97)
&rst
ixpk= 719, nxpk= 0, iat=1192,1203, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 72 GLU HG2 73 GLY H 5.31 (#peak 720 #SUP 0.98 #QF 0.98)
&rst
ixpk= 720, nxpk= 0, iat=1195,1203, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 72 GLU HB3 73 GLY H 4.52 (#peak 721 #SUP 0.98 #QF 0.98)
&rst
ixpk= 721, nxpk= 0, iat=1193,1203, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 25 ASN H 25 ASN HB2 4.18 (#peak 725 #SUP 0.98 #QF 0.98)
&rst
ixpk= 725, nxpk= 0, iat= 387, 391, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 25 ASN H 25 ASN HB3 4.18 (#peak 727 #SUP 0.97 #QF 0.97)
&rst
ixpk= 727, nxpk= 0, iat= 387, 392, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 24 LEU HB3 25 ASN H 3.88 (#peak 728 #SUP 0.97 #QF 0.97)
&rst
ixpk= 728, nxpk= 0, iat= 373, 387, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 19 LEU HG 25 ASN H 4.76 (#peak 729 #SUP 0.98 #QF 0.50)
&rst
ixpk= 729, nxpk= 0, iat= 284, 387, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 24 LEU HG 25 ASN H 5.00 (#peak 729 #SUP 0.98 #QF 0.50)
&rst
ixpk= 729, nxpk= 0, iat= 375, 387, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 LEU HB2 25 ASN H 3.39 (#peak 730 #SUP 0.93 #QF 0.86)
&rst
ixpk= 730, nxpk= 0, iat= 372, 387, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 24 LEU QD1 25 ASN H 4.47 (#peak 731 #SUP 0.58 #QF 0.58)
&rst
ixpk= 731, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 377, 378, 379,
&end
#
# 24 LEU H 25 ASN H 4.01 (#peak 733 #SUP 0.98 #QF 0.98)
&rst
ixpk= 733, nxpk= 0, iat= 368, 387, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 25 ASN H 25 ASN HD21 4.87 (#peak 735 #SUP 0.90 #QF 0.90)
&rst
ixpk= 735, nxpk= 0, iat= 387, 396, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 25 ASN H 26 TYR HA 5.43 (#peak 736 #SUP 0.89 #QF 0.89)
&rst
ixpk= 736, nxpk= 0, iat= 387, 403, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 19 LEU HA 25 ASN H 4.67 (#peak 738 #SUP 0.93 #QF 0.93)
&rst
ixpk= 738, nxpk= 0, iat= 279, 387, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 41 ALA H 42 ASN H 3.02 (#peak 741 #SUP 0.90 #QF 0.90)
&rst
ixpk= 741, nxpk= 0, iat= 661, 671, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 33 ILE H 35 ASN H 4.54 (#peak 743 #SUP 0.91 #QF 0.91)
&rst
ixpk= 743, nxpk= 0, iat= 520, 561, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 35 ASN H 36 GLU H 3.20 (#peak 746 #SUP 0.96 #QF 0.96)
&rst
ixpk= 746, nxpk= 0, iat= 561, 575, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 124 ASP H 125 ASN H 3.37 (#peak 748 #SUP 0.94 #QF 0.94)
&rst
ixpk= 748, nxpk= 0, iat=2048,2060, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 54 ARG H 55 ILE H 3.17 (#peak 751 #SUP 0.99 #QF 0.99)
&rst
ixpk= 751, nxpk= 0, iat= 867, 891, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 53 LYS H 55 ILE H 3.92 (#peak 752 #SUP 0.96 #QF 0.96)
&rst
ixpk= 752, nxpk= 0, iat= 845, 891, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 23 GLN H 24 LEU H 2.90 (#peak 753 #SUP 0.98 #QF 0.98)
&rst
ixpk= 753, nxpk= 0, iat= 351, 368, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 81 PHE H 119 ARG H 4.37 (#peak 757 #SUP 0.90 #QF 0.90)
&rst
ixpk= 757, nxpk= 0, iat=1320,1949, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 19 LEU HA 24 LEU H 3.25 (#peak 761 #SUP 0.94 #QF 0.94)
&rst
ixpk= 761, nxpk= 0, iat= 279, 368, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 22 LYS HA 24 LEU H 4.02 (#peak 763 #SUP 0.96 #QF 0.96)
&rst
ixpk= 763, nxpk= 0, iat= 331, 368, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 23 GLN HG2 24 LEU H 4.71 (#peak 764 #SUP 0.89 #QF 0.89)
&rst
ixpk= 764, nxpk= 0, iat= 358, 368, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 23 GLN HB2 24 LEU H 4.14 (#peak 765 #SUP 0.99 #QF 0.99)
&rst
ixpk= 765, nxpk= 0, iat= 355, 368, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 23 GLN HB3 24 LEU H 4.14 (#peak 767 #SUP 0.87 #QF 0.87)
&rst
ixpk= 767, nxpk= 0, iat= 356, 368, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 24 LEU H 24 LEU HG 3.53 (#peak 768 #SUP 0.93 #QF 0.93)
&rst
ixpk= 768, nxpk= 0, iat= 368, 375, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 24 LEU H 24 LEU HB2 3.77 (#peak 769 #SUP 1.00 #QF 0.97)
&rst
ixpk= 769, nxpk= 0, iat= 368, 372, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 24 LEU H 24 LEU QD2 4.46 (#peak 769 #SUP 1.00 #QF 0.97)
&rst
ixpk= 769, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 381, 382, 383,
&end
#
# 119 ARG H 119 ARG HB3 4.15 (#peak 775 #SUP 0.81 #QF 0.81)
&rst
ixpk= 775, nxpk= 0, iat=1949,1954, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 119 ARG H 119 ARG HB2 4.15 (#peak 776 #SUP 0.96 #QF 0.96)
&rst
ixpk= 776, nxpk= 0, iat=1949,1953, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 118 ILE HB 119 ARG H 4.02 (#peak 777 #SUP 0.96 #QF 0.96)
&rst
ixpk= 777, nxpk= 0, iat=1934,1949, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 81 PHE QB 119 ARG H 5.11 (#peak 778 #SUP 0.89 #QF 0.89)
&rst
ixpk= 778, nxpk= 0, iat= -1,1949, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1324,1325,
&end
#
# 119 ARG H 119 ARG QD 5.15 (#peak 779 #SUP 0.99 #QF 0.99)
&rst
ixpk= 779, nxpk= 0, iat=1949, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1959,1960,
&end
#
# 80 VAL HA 119 ARG H 3.97 (#peak 782 #SUP 0.94 #QF 0.94)
&rst
ixpk= 782, nxpk= 0, iat=1306,1949, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 134 LEU HA 137 GLU H 3.91 (#peak 786 #SUP 0.98 #QF 0.98)
&rst
ixpk= 786, nxpk= 0, iat=2185,2235, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 137 GLU H 138 VAL HA 5.14 (#peak 787 #SUP 0.97 #QF 0.97)
&rst
ixpk= 787, nxpk= 0, iat=2235,2252, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 136 ASP HB2 137 GLU H 4.32 (#peak 788 #SUP 0.96 #QF 0.96)
&rst
ixpk= 788, nxpk= 0, iat=2227,2235, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 136 ASP HB3 137 GLU H 4.32 (#peak 789 #SUP 0.96 #QF 0.96)
&rst
ixpk= 789, nxpk= 0, iat=2228,2235, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 101 CYS H 101 CYS HB2 4.18 (#peak 790 #SUP 0.97 #QF 0.97)
&rst
ixpk= 790, nxpk= 0, iat=1647,1651, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 100 SER QB 101 CYS H 3.78 (#peak 791 #SUP 0.99 #QF 0.99)
&rst
ixpk= 791, nxpk= 0, iat= -1,1647, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1640,1641,
&end
#
# 98 TYR HA 101 CYS H 3.84 (#peak 793 #SUP 0.83 #QF 0.83)
&rst
ixpk= 793, nxpk= 0, iat=1606,1647, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 35 ASN HB2 35 ASN HD22 3.90 (#peak 796 #SUP 0.96 #QF 0.96)
&rst
ixpk= 796, nxpk= 0, iat= 565, 571, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 137 GLU H 137 GLU QB 2.99 (#peak 798 #SUP 0.97 #QF 0.97)
&rst
ixpk= 798, nxpk= 0, iat=2235, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2239,2240,
&end
#
# 137 GLU H 137 GLU HG3 4.21 (#peak 799 #SUP 0.98 #QF 0.98)
&rst
ixpk= 799, nxpk= 0, iat=2235,2243, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 121 ILE QG2 137 GLU H 5.40 (#peak 800 #SUP 0.88 #QF 0.88)
&rst
ixpk= 800, nxpk= 0, iat= -1,2235, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2001,2002,2003,
&end
#
# 121 ILE QD1 137 GLU H 4.34 (#peak 802 #SUP 0.59 #QF 0.59)
&rst
ixpk= 802, nxpk= 0, iat= -1,2235, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=2008,2009,2010,
&end
#
# 52 PRO HA 55 ILE H 4.18 (#peak 803 #SUP 0.99 #QF 0.99)
&rst
ixpk= 803, nxpk= 0, iat= 841, 891, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 51 LEU HA 55 ILE H 4.50 (#peak 804 #SUP 0.81 #QF 0.81)
&rst
ixpk= 804, nxpk= 0, iat= 814, 891, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 ARG HD2 55 ILE H 5.50 (#peak 805 #SUP 0.94 #QF 0.94)
&rst
ixpk= 805, nxpk= 0, iat= 877, 891, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ILE H 55 ILE HB 3.19 (#peak 806 #SUP 0.97 #QF 0.97)
&rst
ixpk= 806, nxpk= 0, iat= 891, 895, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 55 ILE H 55 ILE HG12 3.67 (#peak 807 #SUP 0.97 #QF 0.97)
&rst
ixpk= 807, nxpk= 0, iat= 891, 901, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 55 ILE H 55 ILE HG13 3.67 (#peak 808 #SUP 0.99 #QF 0.99)
&rst
ixpk= 808, nxpk= 0, iat= 891, 902, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 55 ILE H 55 ILE QG2 3.83 (#peak 809 #SUP 0.98 #QF 0.98)
&rst
ixpk= 809, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 897, 898, 899,
&end
#
# 55 ILE H 55 ILE QD1 3.69 (#peak 811 #SUP 0.99 #QF 0.99)
&rst
ixpk= 811, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 904, 905, 906,
&end
#
# 52 PRO HA 54 ARG H 4.51 (#peak 814 #SUP 0.95 #QF 0.95)
&rst
ixpk= 814, nxpk= 0, iat= 841, 867, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 51 LEU HA 54 ARG H 3.93 (#peak 815 #SUP 0.91 #QF 0.91)
&rst
ixpk= 815, nxpk= 0, iat= 814, 867, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 54 ARG H 54 ARG HD2 4.87 (#peak 816 #SUP 0.97 #QF 0.97)
&rst
ixpk= 816, nxpk= 0, iat= 867, 877, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 54 ARG H 54 ARG HD3 4.87 (#peak 817 #SUP 1.00)
&rst
ixpk= 817, nxpk= 0, iat= 867, 878, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 54 ARG H 54 ARG HB2 3.71 (#peak 818 #SUP 0.99 #QF 0.99)
&rst
ixpk= 818, nxpk= 0, iat= 867, 871, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 53 LYS QB 54 ARG H 3.75 (#peak 819 #SUP 0.89 #QF 0.89)
&rst
ixpk= 819, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 849, 850,
&end
#
# 54 ARG H 54 ARG HB3 3.76 (#peak 820 #SUP 0.99 #QF 0.99)
&rst
ixpk= 820, nxpk= 0, iat= 867, 872, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 54 ARG H 54 ARG HG2 3.66 (#peak 822 #SUP 1.00)
&rst
ixpk= 822, nxpk= 0, iat= 867, 874, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 54 ARG H 54 ARG HG3 4.38 (#peak 823 #SUP 0.96 #QF 0.96)
&rst
ixpk= 823, nxpk= 0, iat= 867, 875, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 101 CYS H 102 LYS HB2 4.38 (#peak 826 #SUP 0.98 #QF 0.98)
&rst
ixpk= 826, nxpk= 0, iat=1647,1662, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 101 CYS H 105 LEU HG 5.50 (#peak 827 #SUP 0.36 #QF 0.36)
&rst
ixpk= 827, nxpk= 0, iat=1647,1712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE QD1 101 CYS H 4.63 (#peak 829 #SUP 0.97 #QF 0.97)
&rst
ixpk= 829, nxpk= 0, iat= -1,1647, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 502, 503, 504,
&end
#
# 123 ILE H 123 ILE HG13 3.42 (#peak 830 #SUP 0.92 #QF 0.55)
&rst
ixpk= 830, nxpk= 0, iat=2029,2040, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 123 ILE H 123 ILE HG12 3.76 (#peak 831 #SUP 0.97 #QF 0.97)
&rst
ixpk= 831, nxpk= 0, iat=2029,2039, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 131 ALA QB 132 ASP H 3.07 (#peak 832 #SUP 0.95 #QF 0.95)
&rst
ixpk= 832, nxpk= 0, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1=2145,2146,2147,
&end
#
# 132 ASP H 132 ASP HB3 3.71 (#peak 833 #SUP 0.94 #QF 0.94)
&rst
ixpk= 833, nxpk= 0, iat=2151,2156, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 132 ASP H 132 ASP HB2 3.71 (#peak 834 #SUP 0.97 #QF 0.97)
&rst
ixpk= 834, nxpk= 0, iat=2151,2155, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 132 ASP H 133 PHE HB2 4.54 (#peak 836 #SUP 0.89 #QF 0.89)
&rst
ixpk= 836, nxpk= 0, iat=2151,2167, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 132 ASP H 133 PHE HB3 4.86 (#peak 837 #SUP 1.00)
&rst
ixpk= 837, nxpk= 0, iat=2151,2168, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 130 THR QG2 132 ASP H 3.73 (#peak 838 #SUP 0.89 #QF 0.89)
&rst
ixpk= 838, nxpk= 0, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=2133,2134,2135,
&end
#
# 130 THR HA 132 ASP H 4.03 (#peak 841 #SUP 0.88 #QF 0.88)
&rst
ixpk= 841, nxpk= 0, iat=2129,2151, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 108 ILE HA 111 ARG H 4.85 (#peak 843 #SUP 0.74 #QF 0.74)
&rst
ixpk= 843, nxpk= 0, iat=1760,1808, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 99 SER QB 100 SER H 3.53 (#peak 844 #SUP 0.83 #QF 0.83)
&rst
ixpk= 844, nxpk= 0, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1629,1630,
&end
#
# 100 SER H 100 SER QB 3.04 (#peak 845 #SUP 0.86 #QF 0.86)
&rst
ixpk= 845, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2=1640,1641,
&end
#
# 96 MET QB 100 SER H 4.95 (#peak 846 #SUP 0.47 #QF 0.47)
&rst
ixpk= 846, nxpk= 0, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1572,1573,
&end
#
# 100 SER H 102 LYS HB2 4.65 (#peak 847 #SUP 0.94 #QF 0.94)
&rst
ixpk= 847, nxpk= 0, iat=1636,1662, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 138 VAL QG2 139 HIS H 4.06 (#peak 851 #SUP 1.00)
&rst
ixpk= 851, nxpk= 0, iat= -1,2266, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=2260,2261,2262,
&end
#
# 128 GLU H 129 LEU H 3.43 (#peak 854 #SUP 0.95 #QF 0.95)
&rst
ixpk= 854, nxpk= 0, iat=2093,2108, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 105 LEU H 106 LEU H 3.50 (#peak 855 #SUP 0.99 #QF 0.99)
&rst
ixpk= 855, nxpk= 0, iat=1705,1724, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 LEU H 107 GLU H 4.64 (#peak 856 #SUP 0.98 #QF 0.94)
&rst
ixpk= 856, nxpk= 0, iat=1705,1743, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 101 CYS HA 105 LEU H 4.00 (#peak 860 #SUP 0.91 #QF 0.68)
&rst
ixpk= 860, nxpk= 0, iat=1649,1705, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 PRO QD 105 LEU H 3.78 (#peak 862 #SUP 0.96 #QF 0.96)
&rst
ixpk= 862, nxpk= 0, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1692,1693,
&end
#
# 129 LEU H 129 LEU HB2 3.71 (#peak 869 #SUP 0.99 #QF 0.99)
&rst
ixpk= 869, nxpk= 0, iat=2108,2112, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 104 PRO HG2 105 LEU H 3.62 (#peak 871 #SUP 0.84 #QF 0.84)
&rst
ixpk= 871, nxpk= 0, iat=1695,1705, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 105 LEU H 105 LEU QD2 4.10 (#peak 872 #SUP 0.84 #QF 0.84)
&rst
ixpk= 872, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1718,1719,1720,
&end
#
# 105 LEU H 108 ILE QD1 4.46 (#peak 873 #SUP 0.92 #QF 0.70)
&rst
ixpk= 873, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1771,1772,1773,
&end
#
# 123 ILE HG12 129 LEU H 4.93 (#peak 873 #SUP 0.92 #QF 0.70)
&rst
ixpk= 873, nxpk= 0, iat=2039,2108, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 138 VAL H 138 VAL QG1 3.85 (#peak 874 #SUP 0.99 #QF 0.99)
&rst
ixpk= 874, nxpk= 0, iat=2250, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=2256,2257,2258,
&end
#
# 108 ILE HB 109 VAL H 3.37 (#peak 877 #SUP 1.00 #QF 0.90)
&rst
ixpk= 877, nxpk= 0, iat=1762,1777, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 109 VAL H 109 VAL HB 3.69 (#peak 877 #SUP 1.00 #QF 0.90)
&rst
ixpk= 877, nxpk= 0, iat=1777,1781, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 136 ASP H 136 ASP HB3 3.32 (#peak 878 #SUP 0.96 #QF 0.96)
&rst
ixpk= 878, nxpk= 0, iat=2223,2228, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 136 ASP H 136 ASP HB2 3.32 (#peak 879 #SUP 0.91 #QF 0.91)
&rst
ixpk= 879, nxpk= 0, iat=2223,2227, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 135 TYR HB3 136 ASP H 3.41 (#peak 880 #SUP 0.98 #QF 0.98)
&rst
ixpk= 880, nxpk= 0, iat=2207,2223, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 135 TYR HB2 136 ASP H 4.18 (#peak 881 #SUP 0.82 #QF 0.82)
&rst
ixpk= 881, nxpk= 0, iat=2206,2223, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 106 LEU HA 109 VAL H 3.97 (#peak 883 #SUP 0.91 #QF 0.41)
&rst
ixpk= 883, nxpk= 0, iat=1726,1777, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 109 VAL H 109 VAL QG1 3.80 (#peak 889 #SUP 0.92 #QF 0.92)
&rst
ixpk= 889, nxpk= 0, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1783,1784,1785,
&end
#
# 135 TYR QE 136 ASP H 5.50 (#peak 893 #SUP 0.78 #QF 0.78)
&rst
ixpk= 893, nxpk= 0, iat= -1,2223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2212,2217,
&end
#
# 63 HIS H 82 ILE QG2 4.57 (#peak 894 #SUP 0.58 #QF 0.58)
&rst
ixpk= 894, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1346,1347,1348,
&end
#
# 63 HIS H 82 ILE HB 4.05 (#peak 895 #SUP 0.96 #QF 0.96)
&rst
ixpk= 895, nxpk= 0, iat=1024,1344, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 63 HIS H 63 HIS HB3 4.19 (#peak 896 #SUP 0.70 #QF 0.70)
&rst
ixpk= 896, nxpk= 0, iat=1024,1029, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 62 TYR HB3 63 HIS H 3.85 (#peak 897 #SUP 0.92 #QF 0.75)
&rst
ixpk= 897, nxpk= 0, iat=1008,1024, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 63 HIS H 63 HIS HB2 4.20 (#peak 897 #SUP 0.92 #QF 0.75)
&rst
ixpk= 897, nxpk= 0, iat=1024,1028, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 62 TYR HA 63 HIS H 3.12 (#peak 899 #SUP 0.96 #QF 0.90)
&rst
ixpk= 899, nxpk= 0, iat=1005,1024, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 63 HIS H 63 HIS HD2 3.56 (#peak 900 #SUP 0.82 #QF 0.82)
&rst
ixpk= 900, nxpk= 0, iat=1024,1037, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 29 LEU HB2 63 HIS H 5.50 (#peak 902 #SUP 0.97 #QF 0.97)
&rst
ixpk= 902, nxpk= 0, iat= 459,1024, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 HIS H 84 SER H 5.14 (#peak 905 #SUP 0.78 #QF 0.78)
&rst
ixpk= 905, nxpk= 0, iat=1024,1380, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 76 LEU HA 77 GLU H 2.68 (#peak 911 #SUP 0.85 #QF 0.85)
&rst
ixpk= 911, nxpk= 0, iat=1245,1262, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 77 GLU H 78 SER HA 5.08 (#peak 913 #SUP 0.91 #QF 0.91)
&rst
ixpk= 913, nxpk= 0, iat=1262,1279, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 56 PRO HA 57 LYS H 2.99 (#peak 915 #SUP 0.83 #QF 0.83)
&rst
ixpk= 915, nxpk= 0, iat= 920, 924, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 57 LYS H 57 LYS HB2 4.10 (#peak 917 #SUP 0.79 #QF 0.79)
&rst
ixpk= 917, nxpk= 0, iat= 924, 928, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 57 LYS H 57 LYS QD 4.58 (#peak 918 #SUP 0.99 #QF 0.98)
&rst
ixpk= 918, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 934, 935,
&end
#
# 57 LYS H 57 LYS QG 3.53 (#peak 919 #SUP 0.90 #QF 0.90)
&rst
ixpk= 919, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 931, 932,
&end
#
# 104 PRO HA 107 GLU H 3.66 (#peak 920 #SUP 0.89 #QF 0.89)
&rst
ixpk= 920, nxpk= 0, iat=1701,1743, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 107 GLU H 107 GLU QB 2.92 (#peak 926 #SUP 0.95 #QF 0.95)
&rst
ixpk= 926, nxpk= 0, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2=1747,1748,
&end
#
# 106 LEU HB2 107 GLU H 3.91 (#peak 928 #SUP 0.91 #QF 0.91)
&rst
ixpk= 928, nxpk= 0, iat=1728,1743, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 106 LEU HB3 107 GLU H 3.91 (#peak 929 #SUP 0.95 #QF 0.95)
&rst
ixpk= 929, nxpk= 0, iat=1729,1743, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 106 LEU HG 107 GLU H 5.32 (#peak 930 #SUP 0.67 #QF 0.67)
&rst
ixpk= 930, nxpk= 0, iat=1731,1743, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 13 PHE H 13 PHE QD 4.34 (#peak 935 #SUP 1.00)
&rst
ixpk= 935, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 182, 190,
&end
#
# 13 PHE H 15 ALA H 4.45 (#peak 936 #SUP 0.99 #QF 0.99)
&rst
ixpk= 936, nxpk= 0, iat= 174, 211, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 127 ASP H 128 GLU HG3 4.02 (#peak 940 #SUP 0.21 #QF 0.21)
&rst
ixpk= 940, nxpk= 0, iat=2081,2101, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 127 ASP H 128 GLU HG2 4.69 (#peak 941 #SUP 0.85 #QF 0.85)
&rst
ixpk= 941, nxpk= 0, iat=2081,2100, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 55 ILE QG2 127 ASP H 5.10 (#peak 942 #SUP 0.85 #QF 0.65)
&rst
ixpk= 942, nxpk= 0, iat= -1,2081, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 897, 898, 899,
&end
#
# 123 ILE QG2 127 ASP H 5.49 (#peak 942 #SUP 0.85 #QF 0.65)
&rst
ixpk= 942, nxpk= 0, iat= -1,2081, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=2035,2036,2037,
&end
#
# 125 ASN HA 127 ASP H 4.47 (#peak 946 #SUP 0.98 #QF 0.98)
&rst
ixpk= 946, nxpk= 0, iat=2062,2081, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 68 LYS HA 77 GLU H 4.86 (#peak 947 #SUP 0.84 #QF 0.84)
&rst
ixpk= 947, nxpk= 0, iat=1123,1262, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 138 VAL H 139 HIS QB 4.56 (#peak 948 #SUP 0.95 #QF 0.95)
&rst
ixpk= 948, nxpk= 0, iat=2250, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2270,2271,
&end
#
# 137 GLU H 138 VAL H 3.34 (#peak 949 #SUP 0.87 #QF 0.87)
&rst
ixpk= 949, nxpk= 0, iat=2235,2250, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 88 TYR H 89 THR H 3.61 (#peak 950 #SUP 0.93 #QF 0.93)
&rst
ixpk= 950, nxpk= 0, iat=1429,1450, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 88 TYR H 88 TYR QD 3.82 (#peak 951 #SUP 0.98 #QF 0.98)
&rst
ixpk= 951, nxpk= 0, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1437,1446,
&end
#
# 24 LEU HA 26 TYR H 3.90 (#peak 953 #SUP 0.97 #QF 0.97)
&rst
ixpk= 953, nxpk= 0, iat= 370, 401, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 89 THR HA 90 CYS H 3.55 (#peak 956 #SUP 0.97 #QF 0.97)
&rst
ixpk= 956, nxpk= 0, iat=1452,1464, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 90 CYS H 90 CYS HB2 4.11 (#peak 957 #SUP 0.89 #QF 0.89)
&rst
ixpk= 957, nxpk= 0, iat=1464,1468, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 26 TYR H 43 THR HB 5.50 (#peak 959 #SUP 0.65 #QF 0.65)
&rst
ixpk= 959, nxpk= 0, iat= 401, 689, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LEU HB3 26 TYR H 3.48 (#peak 962 #SUP 0.94 #QF 0.94)
&rst
ixpk= 962, nxpk= 0, iat= 373, 401, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 133 PHE H 133 PHE HB2 3.28 (#peak 963 #SUP 0.97 #QF 0.97)
&rst
ixpk= 963, nxpk= 0, iat=2163,2167, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 133 PHE H 133 PHE HB3 3.30 (#peak 964 #SUP 0.95 #QF 0.95)
&rst
ixpk= 964, nxpk= 0, iat=2163,2168, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 130 THR HB 133 PHE H 4.56 (#peak 966 #SUP 0.83 #QF 0.83)
&rst
ixpk= 966, nxpk= 0, iat=2131,2163, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 132 ASP HA 133 PHE H 3.53 (#peak 967 #SUP 0.87 #QF 0.87)
&rst
ixpk= 967, nxpk= 0, iat=2153,2163, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 25 ASN HD22 26 TYR H 5.33 (#peak 969 #SUP 0.96 #QF 0.88)
&rst
ixpk= 969, nxpk= 0, iat= 397, 401, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 25 ASN H 26 TYR H 2.93 (#peak 970 #SUP 0.97 #QF 0.97)
&rst
ixpk= 970, nxpk= 0, iat= 387, 401, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 26 TYR H 27 VAL H 4.01 (#peak 971 #SUP 0.94 #QF 0.94)
&rst
ixpk= 971, nxpk= 0, iat= 401, 422, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 133 PHE H 133 PHE QD 4.23 (#peak 973 #SUP 0.97 #QF 0.97)
&rst
ixpk= 973, nxpk= 0, iat=2163, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=2171,2179,
&end
#
# 131 ALA H 133 PHE H 4.41 (#peak 975 #SUP 0.96 #QF 0.96)
&rst
ixpk= 975, nxpk= 0, iat=2141,2163, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 71 HIS H 74 ASP H 3.29 (#peak 976 #SUP 0.95 #QF 0.95)
&rst
ixpk= 976, nxpk= 0, iat=1171,1210, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 73 GLY H 74 ASP H 3.07 (#peak 978 #SUP 0.95 #QF 0.95)
&rst
ixpk= 978, nxpk= 0, iat=1203,1210, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 72 GLU H 74 ASP H 4.45 (#peak 979 #SUP 0.99 #QF 0.99)
&rst
ixpk= 979, nxpk= 0, iat=1188,1210, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 73 GLY HA2 74 ASP H 3.54 (#peak 980 #SUP 0.98 #QF 0.98)
&rst
ixpk= 980, nxpk= 0, iat=1205,1210, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 70 SER QB 74 ASP H 3.80 (#peak 981 #SUP 0.53 #QF 0.53)
&rst
ixpk= 981, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1164,1165,
&end
#
# 73 GLY HA3 74 ASP H 3.54 (#peak 982 #SUP 0.94 #QF 0.94)
&rst
ixpk= 982, nxpk= 0, iat=1206,1210, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 133 PHE H 134 LEU HB2 4.61 (#peak 988 #SUP 0.49 #QF 0.49)
&rst
ixpk= 988, nxpk= 0, iat=2163,2187, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 130 THR QG2 133 PHE H 3.93 (#peak 989 #SUP 0.95 #QF 0.95)
&rst
ixpk= 989, nxpk= 0, iat= -1,2163, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2133,2134,2135,
&end
#
# 131 ALA QB 133 PHE H 4.84 (#peak 990 #SUP 0.93 #QF 0.93)
&rst
ixpk= 990, nxpk= 0, iat= -1,2163, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=2145,2146,2147,
&end
#
# 74 ASP H 74 ASP QB 2.79 (#peak 993 #SUP 0.78 #QF 0.78)
&rst
ixpk= 993, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2=1214,1215,
&end
#
# 51 LEU H 52 PRO HD3 3.73 (#peak 994 #SUP 0.96 #QF 0.75)
&rst
ixpk= 994, nxpk= 0, iat= 812, 833, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 51 LEU H 52 PRO HD2 3.70 (#peak 995 #SUP 0.88 #QF 0.88)
&rst
ixpk= 995, nxpk= 0, iat= 812, 832, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 48 LEU HA 51 LEU H 3.77 (#peak 996 #SUP 0.86 #QF 0.86)
&rst
ixpk= 996, nxpk= 0, iat= 759, 812, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 50 ASP QB 51 LEU H 3.79 (#peak 999 #SUP 0.98 #QF 0.98)
&rst
ixpk= 999, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 804, 805,
&end
#
# 48 LEU QB 51 LEU H 5.01 (#peak 1000 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1000, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 761, 762,
&end
#
# 51 LEU H 52 PRO HG2 4.65 (#peak 1001 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1001, nxpk= 0, iat= 812, 835, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 51 LEU H 51 LEU HB2 3.74 (#peak 1002 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1002, nxpk= 0, iat= 812, 816, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 18 LYS H 21 LYS QE 4.90 (#peak 1004 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1004, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 320, 321,
&end
#
# 15 ALA HA 18 LYS H 3.83 (#peak 1005 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1005, nxpk= 0, iat= 213, 255, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 16 LEU H 18 LYS H 4.36 (#peak 1006 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1006, nxpk= 0, iat= 221, 255, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 18 LYS H 19 LEU H 3.16 (#peak 1007 #SUP 0.98 #QF 0.95)
&rst
ixpk= 1007, nxpk= 0, iat= 255, 277, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 24 LEU HB2 26 TYR H 3.51 (#peak 1009 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1009, nxpk= 0, iat= 372, 401, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 24 LEU QD1 26 TYR H 4.96 (#peak 1010 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1010, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 377, 378, 379,
&end
#
# 19 LEU HG 26 TYR H 5.50 (#peak 1011 #SUP 0.98 #QF 0.40)
&rst
ixpk= 1011, nxpk= 0, iat= 284, 401, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LEU HG 26 TYR H 5.50 (#peak 1011 #SUP 0.98 #QF 0.40)
&rst
ixpk= 1011, nxpk= 0, iat= 375, 401, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 LEU H 52 PRO HG3 4.65 (#peak 1016 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1016, nxpk= 0, iat= 812, 836, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 51 LEU H 51 LEU HB3 3.74 (#peak 1018 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1018, nxpk= 0, iat= 812, 817, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 89 THR QG2 90 CYS H 4.17 (#peak 1019 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1019, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1456,1457,1458,
&end
#
# 86 PRO HB2 90 CYS H 4.43 (#peak 1020 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1020, nxpk= 0, iat=1415,1464, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 90 CYS H 91 SER H 4.87 (#peak 1021 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1021, nxpk= 0, iat=1464,1475, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 88 TYR H 90 CYS H 4.40 (#peak 1022 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1022, nxpk= 0, iat=1429,1464, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 70 SER HA 74 ASP H 4.54 (#peak 1025 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1025, nxpk= 0, iat=1162,1210, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 40 LEU H 40 LEU HB3 3.63 (#peak 1027 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1027, nxpk= 0, iat= 642, 647, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 12 ALA QB 40 LEU H 3.93 (#peak 1028 #SUP 0.91 #QF 0.88)
&rst
ixpk= 1028, nxpk= 0, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 168, 169, 170,
&end
#
# 39 ILE HG13 40 LEU H 4.85 (#peak 1030 #SUP 0.94 #QF 0.90)
&rst
ixpk= 1030, nxpk= 0, iat= 634, 642, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 31 ILE H 38 ILE QG2 4.31 (#peak 1031 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1031, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 610, 611, 612,
&end
#
# 39 ILE HB 40 LEU H 3.45 (#peak 1033 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1033, nxpk= 0, iat= 627, 642, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 26 TYR HA 27 VAL H 3.00 (#peak 1034 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1034, nxpk= 0, iat= 403, 422, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 15 ALA H 15 ALA QB 2.94 (#peak 1035 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1035, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 215, 216, 217,
&end
#
# 16 LEU QD2 19 LEU H 5.50 (#peak 1039 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1039, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 234, 235, 236,
&end
#
# 19 LEU H 24 LEU QD1 5.02 (#peak 1040 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1040, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 377, 378, 379,
&end
#
# 19 LEU H 24 LEU HG 3.51 (#peak 1042 #SUP 0.26 #QF 0.26)
&rst
ixpk= 1042, nxpk= 0, iat= 277, 375, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 27 VAL H 64 PHE QB 3.85 (#peak 1043 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1043, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1045,1046,
&end
#
# 26 TYR HB2 27 VAL H 4.69 (#peak 1045 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1045, nxpk= 0, iat= 405, 422, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 16 LEU HA 19 LEU H 3.73 (#peak 1046 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1046, nxpk= 0, iat= 223, 277, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 27 VAL H 28 GLN H 4.59 (#peak 1050 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1050, nxpk= 0, iat= 422, 438, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 74 ASP H 75 TYR H 4.59 (#peak 1054 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1054, nxpk= 0, iat=1210,1222, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 75 TYR H 75 TYR QD 4.53 (#peak 1055 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1055, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1230,1239,
&end
#
# 70 SER HA 75 TYR H 5.02 (#peak 1056 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1056, nxpk= 0, iat=1162,1222, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 74 ASP HA 75 TYR H 2.86 (#peak 1057 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1057, nxpk= 0, iat=1212,1222, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 75 TYR H 75 TYR HB2 3.81 (#peak 1059 #SUP 1.00)
&rst
ixpk= 1059, nxpk= 0, iat=1222,1226, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 75 TYR H 75 TYR HB3 3.81 (#peak 1060 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1060, nxpk= 0, iat=1222,1227, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 74 ASP QB 75 TYR H 3.36 (#peak 1061 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1061, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1214,1215,
&end
#
# 75 TYR H 76 LEU QD1 4.82 (#peak 1062 #SUP 0.91 #QF 0.83)
&rst
ixpk= 1062, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1252,1253,1254,
&end
#
# 75 TYR H 76 LEU QD2 4.82 (#peak 1062 #SUP 0.91 #QF 0.83)
&rst
ixpk= 1062, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1256,1257,1258,
&end
#
# 75 TYR H 76 LEU HG 5.50 (#peak 1063 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1063, nxpk= 0, iat=1222,1250, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 THR H 131 ALA H 4.45 (#peak 1065 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1065, nxpk= 0, iat=2127,2141, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 130 THR HB 131 ALA H 3.88 (#peak 1066 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1066, nxpk= 0, iat=2131,2141, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 130 THR HA 131 ALA H 3.04 (#peak 1067 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1067, nxpk= 0, iat=2129,2141, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 68 LYS H 69 HIS H 4.67 (#peak 1070 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1070, nxpk= 0, iat=1121,1143, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 65 PHE H 80 VAL H 3.62 (#peak 1071 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1071, nxpk= 0, iat=1061,1304, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 140 PRO HA 141 LYS H 2.69 (#peak 1072 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1072, nxpk= 0, iat=2293,2297, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 48 LEU QD1 131 ALA H 4.59 (#peak 1077 #SUP 0.94 #QF 0.91)
&rst
ixpk= 1077, nxpk= 0, iat= -1,2141, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 766, 767, 768,
&end
#
# 141 LYS H 141 LYS QG 3.37 (#peak 1078 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1078, nxpk= 0, iat=2297, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=2304,2305,
&end
#
# 140 PRO HB3 141 LYS H 3.54 (#peak 1079 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1079, nxpk= 0, iat=2291,2297, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 140 PRO HB2 141 LYS H 2.79 (#peak 1083 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1083, nxpk= 0, iat=2290,2297, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 17 GLU HG2 18 LYS H 3.82 (#peak 1085 #SUP 0.57 #QF 0.57)
&rst
ixpk= 1085, nxpk= 0, iat= 247, 255, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 18 LYS HB2 19 LEU H 3.69 (#peak 1088 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1088, nxpk= 0, iat= 259, 277, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 19 LEU H 19 LEU HB3 3.31 (#peak 1089 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1089, nxpk= 0, iat= 277, 282, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 19 LEU H 19 LEU HB2 3.37 (#peak 1090 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1090, nxpk= 0, iat= 277, 281, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 18 LYS HB3 19 LEU H 4.21 (#peak 1092 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1092, nxpk= 0, iat= 260, 277, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 18 LYS HG3 19 LEU H 4.17 (#peak 1093 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1093, nxpk= 0, iat= 263, 277, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 19 LEU H 21 LYS H 4.61 (#peak 1095 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1095, nxpk= 0, iat= 277, 307, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 10 ARG H 10 ARG QD 4.65 (#peak 1096 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1096, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 138, 139,
&end
#
# 10 ARG H 13 PHE H 4.96 (#peak 1098 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1098, nxpk= 0, iat= 128, 174, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 115 MET HA 116 ASP H 3.04 (#peak 1100 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1100, nxpk= 0, iat=1887,1902, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 115 MET H 116 ASP H 4.62 (#peak 1101 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1101, nxpk= 0, iat=1885,1902, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 116 ASP HA 117 VAL H 3.05 (#peak 1103 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1103, nxpk= 0, iat=1904,1914, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 81 PHE H 121 ILE H 4.47 (#peak 1109 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1109, nxpk= 0, iat=1320,1995, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 81 PHE H 81 PHE QB 3.50 (#peak 1115 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1115, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1324,1325,
&end
#
# 80 VAL HB 81 PHE H 4.05 (#peak 1117 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1117, nxpk= 0, iat=1308,1320, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 33 ILE H 33 ILE HB 3.18 (#peak 1118 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1118, nxpk= 0, iat= 520, 524, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 33 ILE H 33 ILE HG12 3.56 (#peak 1119 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1119, nxpk= 0, iat= 520, 530, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 116 ASP H 116 ASP HB2 3.75 (#peak 1120 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1120, nxpk= 0, iat=1902,1906, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 116 ASP H 116 ASP HB3 3.75 (#peak 1121 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1121, nxpk= 0, iat=1902,1907, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 115 MET HG2 116 ASP H 4.39 (#peak 1122 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1122, nxpk= 0, iat=1892,1902, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 115 MET HG3 116 ASP H 4.39 (#peak 1123 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1123, nxpk= 0, iat=1893,1902, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 115 MET HB3 116 ASP H 4.36 (#peak 1125 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1125, nxpk= 0, iat=1890,1902, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 115 MET HB2 116 ASP H 4.36 (#peak 1126 #SUP 1.00)
&rst
ixpk= 1126, nxpk= 0, iat=1889,1902, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 117 VAL H 117 VAL QG2 3.92 (#peak 1127 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1127, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1924,1925,1926,
&end
#
# 117 VAL H 117 VAL HB 3.66 (#peak 1128 #SUP 1.00)
&rst
ixpk= 1128, nxpk= 0, iat=1914,1918, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 116 ASP HB3 117 VAL H 4.17 (#peak 1129 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1129, nxpk= 0, iat=1907,1914, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 116 ASP HB2 117 VAL H 4.17 (#peak 1130 #SUP 1.00)
&rst
ixpk= 1130, nxpk= 0, iat=1906,1914, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 33 ILE H 33 ILE QD1 3.50 (#peak 1132 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1132, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 533, 534, 535,
&end
#
# 141 LYS H 142 GLN H 3.35 (#peak 1135 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1135, nxpk= 0, iat=2297,2319, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 140 PRO HA 142 GLN H 4.48 (#peak 1136 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1136, nxpk= 0, iat=2293,2319, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 141 LYS HA 142 GLN H 2.99 (#peak 1137 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1137, nxpk= 0, iat=2299,2319, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 140 PRO HB3 142 GLN H 4.65 (#peak 1141 #SUP 0.99 #QF 0.72)
&rst
ixpk= 1141, nxpk= 0, iat=2291,2319, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 141 LYS QG 142 GLN H 4.71 (#peak 1144 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1144, nxpk= 0, iat= -1,2319, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=2304,2305,
&end
#
# 140 PRO QG 142 GLN H 3.21 (#peak 1145 #SUP 0.39 #QF 0.39)
&rst
ixpk= 1145, nxpk= 0, iat= -1,2319, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2287,2288,
&end
#
# 121 ILE HA 122 GLU H 2.84 (#peak 1146 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1146, nxpk= 0, iat=1997,2014, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 23 GLN HA 23 GLN HE21 4.96 (#peak 1148 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1148, nxpk= 0, iat= 353, 363, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 35 ASN H 35 ASN HB2 3.40 (#peak 1151 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1151, nxpk= 0, iat= 561, 565, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 35 ASN H 36 GLU HA 4.20 (#peak 1154 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1154, nxpk= 0, iat= 561, 577, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 32 ASP HB3 35 ASN H 4.56 (#peak 1155 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1155, nxpk= 0, iat= 513, 561, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 29 LEU HA 42 ASN H 5.18 (#peak 1160 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1160, nxpk= 0, iat= 457, 671, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 42 ASN H 43 THR HA 5.50 (#peak 1160 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1160, nxpk= 0, iat= 671, 687, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ASN H 37 THR QG2 4.07 (#peak 1161 #SUP 0.63 #QF 0.63)
&rst
ixpk= 1161, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 596, 597, 598,
&end
#
# 28 GLN HB2 42 ASN H 4.23 (#peak 1162 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1162, nxpk= 0, iat= 442, 671, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 33 ILE HA 35 ASN H 4.64 (#peak 1163 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1163, nxpk= 0, iat= 522, 561, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 125 ASN H 127 ASP QB 5.11 (#peak 1164 #SUP 0.66 #QF 0.66)
&rst
ixpk= 1164, nxpk= 0, iat=2060, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=2085,2086,
&end
#
# 123 ILE HB 125 ASN H 3.72 (#peak 1165 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1165, nxpk= 0, iat=2033,2060, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 125 ASN H 128 GLU HG3 5.28 (#peak 1166 #SUP 0.54 #QF 0.54)
&rst
ixpk= 1166, nxpk= 0, iat=2060,2101, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 55 ILE QG2 125 ASN H 4.89 (#peak 1169 #SUP 0.95 #QF 0.50)
&rst
ixpk= 1169, nxpk= 0, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 897, 898, 899,
&end
#
# 123 ILE HG12 125 ASN H 5.11 (#peak 1170 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1170, nxpk= 0, iat=2039,2060, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 45 ASN QB 45 ASN HD22 3.63 (#peak 1171 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1171, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 718, 719,
&end
#
# 119 ARG HA 119 ARG HE 4.96 (#peak 1184 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1184, nxpk= 0, iat=1951,1962, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 119 ARG HE 137 GLU HA 5.07 (#peak 1185 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1185, nxpk= 0, iat=1962,2237, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 119 ARG HE 138 VAL H 5.39 (#peak 1189 #SUP 0.53 #QF 0.53)
&rst
ixpk= 1189, nxpk= 0, iat=1962,2250, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 92 ILE QG2 95 ARG HE 5.29 (#peak 1190 #SUP 0.55 #QF 0.21)
&rst
ixpk= 1190, nxpk= 0, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1492,1493,1494,
&end
#
# 119 ARG HE 121 ILE HG12 5.49 (#peak 1190 #SUP 0.55 #QF 0.21)
&rst
ixpk= 1190, nxpk= 0, iat=1962,2005, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 119 ARG HE 121 ILE QG2 5.50 (#peak 1191 #SUP 0.58 #QF 0.58)
&rst
ixpk= 1191, nxpk= 0, iat=1962, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2001,2002,2003,
&end
#
# 119 ARG HE 138 VAL QG1 5.50 (#peak 1192 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1192, nxpk= 0, iat=1962, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2256,2257,2258,
&end
#
# 119 ARG HE 138 VAL QG2 5.50 (#peak 1194 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1194, nxpk= 0, iat=1962, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2260,2261,2262,
&end
#
# 62 TYR QE 63 HIS H 5.50 (#peak 1199 #SUP 0.66 #QF 0.66)
&rst
ixpk= 1199, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1013,1018,
&end
#
# 40 LEU HA 41 ALA H 3.30 (#peak 1203 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1203, nxpk= 0, iat= 644, 661, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 32 ASP H 37 THR QG2 4.01 (#peak 1204 #SUP 0.92 #QF 0.89)
&rst
ixpk= 1204, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 596, 597, 598,
&end
#
# 28 GLN HB3 41 ALA H 4.37 (#peak 1207 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1207, nxpk= 0, iat= 443, 661, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 11 ASP QB 41 ALA H 5.50 (#peak 1208 #SUP 0.56 #QF 0.56)
&rst
ixpk= 1208, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 156, 157,
&end
#
# 32 ASP H 36 GLU HA 4.61 (#peak 1209 #SUP 0.71 #QF 0.71)
&rst
ixpk= 1209, nxpk= 0, iat= 508, 577, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 32 ASP H 37 THR HB 5.50 (#peak 1210 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1210, nxpk= 0, iat= 508, 594, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ALA HA 41 ALA H 5.09 (#peak 1211 #SUP 0.56 #QF 0.56)
&rst
ixpk= 1211, nxpk= 0, iat= 166, 661, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 32 ASP H 36 GLU H 5.10 (#peak 1213 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1213, nxpk= 0, iat= 508, 575, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 79 VAL HA 118 ILE H 4.71 (#peak 1219 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1219, nxpk= 0, iat=1290,1930, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 117 VAL HA 118 ILE H 3.01 (#peak 1220 #SUP 0.95 #QF 0.80)
&rst
ixpk= 1220, nxpk= 0, iat=1916,1930, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 122 GLU H 123 ILE QG2 4.29 (#peak 1221 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1221, nxpk= 0, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2035,2036,2037,
&end
#
# 46 THR H 46 THR HB 3.63 (#peak 1223 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1223, nxpk= 0, iat= 728, 732, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 26 TYR QD 46 THR H 4.35 (#peak 1224 #SUP 0.69 #QF 0.58)
&rst
ixpk= 1224, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 409, 418,
&end
#
# 60 ALA H 86 PRO QG 4.84 (#peak 1231 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1231, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1412,1413,
&end
#
# 60 ALA H 98 TYR QE 4.91 (#peak 1233 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1233, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1614,1619,
&end
#
# 5 ALA H 6 PHE QE 5.02 (#peak 1234 #SUP 0.42 #QF 0.42)
&rst
ixpk= 1234, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 74, 78,
&end
#
# 28 GLN H 64 PHE H 5.50 (#peak 1237 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1237, nxpk= 0, iat= 438,1041, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 PHE H 82 ILE H 4.45 (#peak 1238 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1238, nxpk= 0, iat=1061,1340, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 80 VAL HB 82 ILE H 5.50 (#peak 1240 #SUP 0.51 #QF 0.51)
&rst
ixpk= 1240, nxpk= 0, iat=1308,1340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LEU H 62 TYR HB3 4.76 (#peak 1243 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1243, nxpk= 0, iat= 455,1008, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 47 GLU H 50 ASP QB 3.46 (#peak 1252 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1252, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 804, 805,
&end
#
# 37 THR HA 38 ILE H 3.30 (#peak 1254 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1254, nxpk= 0, iat= 592, 604, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 31 ILE HA 38 ILE H 4.61 (#peak 1255 #SUP 0.31 #QF 0.31)
&rst
ixpk= 1255, nxpk= 0, iat= 491, 604, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 38 ILE H 39 ILE H 4.82 (#peak 1256 #SUP 1.00)
&rst
ixpk= 1256, nxpk= 0, iat= 604, 623, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 37 THR H 38 ILE H 4.84 (#peak 1258 #SUP 1.00)
&rst
ixpk= 1258, nxpk= 0, iat= 590, 604, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 37 THR HB 38 ILE H 4.20 (#peak 1259 #SUP 1.00)
&rst
ixpk= 1259, nxpk= 0, iat= 594, 604, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 38 ILE H 38 ILE HB 3.55 (#peak 1261 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1261, nxpk= 0, iat= 604, 608, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 38 ILE H 38 ILE HG13 3.77 (#peak 1262 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1262, nxpk= 0, iat= 604, 615, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 37 THR QG2 38 ILE H 3.48 (#peak 1263 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1263, nxpk= 0, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 596, 597, 598,
&end
#
# 116 ASP H 117 VAL H 4.76 (#peak 1264 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1264, nxpk= 0, iat=1902,1914, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 33 ILE H 33 ILE HG13 3.56 (#peak 1267 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1267, nxpk= 0, iat= 520, 531, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 32 ASP HB3 33 ILE H 4.49 (#peak 1268 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1268, nxpk= 0, iat= 513, 520, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 33 ILE H 34 LYS HA 5.46 (#peak 1269 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1269, nxpk= 0, iat= 520, 541, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 32 ASP HA 33 ILE H 2.95 (#peak 1270 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1270, nxpk= 0, iat= 510, 520, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 33 ILE H 37 THR H 4.92 (#peak 1274 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1274, nxpk= 0, iat= 520, 590, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 81 PHE H 117 VAL HA 5.50 (#peak 1276 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1276, nxpk= 0, iat=1320,1916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 ILE H 121 ILE HG12 3.95 (#peak 1279 #SUP 0.70 #QF 0.70)
&rst
ixpk= 1279, nxpk= 0, iat=1995,2005, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 121 ILE H 122 GLU H 4.64 (#peak 1281 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1281, nxpk= 0, iat=1995,2014, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 67 TYR HB3 80 VAL H 5.50 (#peak 1285 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1285, nxpk= 0, iat=1105,1304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 VAL H 81 PHE HA 5.15 (#peak 1286 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1286, nxpk= 0, iat=1304,1322, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 65 PHE HA 80 VAL H 4.85 (#peak 1287 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1287, nxpk= 0, iat=1063,1304, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 9 SER H 12 ALA H 4.71 (#peak 1289 #SUP 0.57 #QF 0.57)
&rst
ixpk= 1289, nxpk= 0, iat= 117, 164, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 9 SER H 39 ILE HA 4.23 (#peak 1291 #SUP 0.67 #QF 0.67)
&rst
ixpk= 1291, nxpk= 0, iat= 117, 625, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 8 ILE HA 9 SER H 3.24 (#peak 1292 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1292, nxpk= 0, iat= 100, 117, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 9 SER H 9 SER HB3 3.80 (#peak 1293 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1293, nxpk= 0, iat= 117, 122, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 12 ALA H 13 PHE HA 5.42 (#peak 1295 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1295, nxpk= 0, iat= 164, 176, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 70 SER QB 75 TYR H 4.75 (#peak 1296 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1296, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1164,1165,
&end
#
# 26 TYR QD 45 ASN H 5.44 (#peak 1303 #SUP 0.83 #QF 0.57)
&rst
ixpk= 1303, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 409, 418,
&end
#
# 83 TYR HB2 84 SER H 4.33 (#peak 1306 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1306, nxpk= 0, iat=1363,1380, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 55 ILE QG2 84 SER H 4.93 (#peak 1308 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1308, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 897, 898, 899,
&end
#
# 63 HIS HE1 84 SER H 5.50 (#peak 1310 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1310, nxpk= 0, iat=1034,1380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 HIS H 69 HIS HB2 4.06 (#peak 1311 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1311, nxpk= 0, iat=1143,1147, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 65 PHE H 65 PHE QD 4.40 (#peak 1313 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1313, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1069,1077,
&end
#
# 65 PHE H 66 LEU H 4.48 (#peak 1314 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1314, nxpk= 0, iat=1061,1081, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 71 HIS H 75 TYR H 5.02 (#peak 1315 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1315, nxpk= 0, iat=1171,1222, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 48 LEU QD2 131 ALA H 4.59 (#peak 1321 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1321, nxpk= 0, iat= -1,2141, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 770, 771, 772,
&end
#
# 39 ILE HG12 40 LEU H 4.85 (#peak 1322 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1322, nxpk= 0, iat= 633, 642, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 40 LEU H 41 ALA H 4.87 (#peak 1324 #SUP 1.00)
&rst
ixpk= 1324, nxpk= 0, iat= 642, 661, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 94 GLU H 97 LEU H 5.15 (#peak 1326 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1326, nxpk= 0, iat=1529,1585, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 96 MET H 97 LEU H 3.34 (#peak 1327 #SUP 0.94 #QF 0.56)
&rst
ixpk= 1327, nxpk= 0, iat=1568,1585, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 97 LEU H 97 LEU HB2 3.61 (#peak 1331 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1331, nxpk= 0, iat=1585,1589, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 31 ILE QD1 97 LEU H 5.42 (#peak 1333 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1333, nxpk= 0, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 502, 503, 504,
&end
#
# 14 GLN HB3 15 ALA H 3.72 (#peak 1338 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1338, nxpk= 0, iat= 199, 211, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 14 GLN HB2 15 ALA H 3.52 (#peak 1339 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1339, nxpk= 0, iat= 198, 211, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 14 GLN HG3 15 ALA H 5.28 (#peak 1340 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1340, nxpk= 0, iat= 202, 211, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 14 GLN HG2 15 ALA H 5.28 (#peak 1341 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1341, nxpk= 0, iat= 201, 211, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 6 PHE H 6 PHE QB 3.58 (#peak 1342 #SUP 0.72 #QF 0.72)
&rst
ixpk= 1342, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 68, 69,
&end
#
# 13 PHE HB3 15 ALA H 5.36 (#peak 1343 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1343, nxpk= 0, iat= 179, 211, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 13 PHE HA 15 ALA H 4.36 (#peak 1345 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1345, nxpk= 0, iat= 176, 211, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 5 ALA HA 6 PHE H 2.97 (#peak 1347 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1347, nxpk= 0, iat= 56, 64, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 6 PHE H 7 PRO HA 5.21 (#peak 1348 #SUP 0.57 #QF 0.57)
&rst
ixpk= 1348, nxpk= 0, iat= 64, 94, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 6 PHE H 6 PHE QD 4.35 (#peak 1351 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1351, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 72, 80,
&end
#
# 15 ALA H 18 LYS H 5.12 (#peak 1353 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1353, nxpk= 0, iat= 211, 255, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 5 ALA H 6 PHE H 4.75 (#peak 1354 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1354, nxpk= 0, iat= 54, 64, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 15 ALA H 17 GLU H 4.16 (#peak 1355 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1355, nxpk= 0, iat= 211, 240, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 14 GLN H 15 ALA H 3.18 (#peak 1356 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1356, nxpk= 0, iat= 194, 211, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 15 ALA H 17 GLU HG2 4.39 (#peak 1358 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1358, nxpk= 0, iat= 211, 247, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 30 GLU H 31 ILE H 4.50 (#peak 1359 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1359, nxpk= 0, iat= 474, 489, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 ILE H 32 ASP H 4.84 (#peak 1360 #SUP 0.72 #QF 0.72)
&rst
ixpk= 1360, nxpk= 0, iat= 489, 508, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 30 GLU HB2 31 ILE H 4.70 (#peak 1364 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1364, nxpk= 0, iat= 478, 489, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 29 LEU HB3 31 ILE H 5.50 (#peak 1365 #SUP 0.96 #QF 0.23)
&rst
ixpk= 1365, nxpk= 0, iat= 460, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE H 38 ILE HG13 5.50 (#peak 1365 #SUP 0.96 #QF 0.23)
&rst
ixpk= 1365, nxpk= 0, iat= 489, 615, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 GLU H 17 GLU HB3 3.34 (#peak 1366 #SUP 0.99 #QF 0.97)
&rst
ixpk= 1366, nxpk= 0, iat= 240, 245, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 17 GLU H 17 GLU HG2 3.62 (#peak 1366 #SUP 0.99 #QF 0.97)
&rst
ixpk= 1366, nxpk= 0, iat= 240, 247, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 17 GLU H 18 LYS H 3.41 (#peak 1368 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1368, nxpk= 0, iat= 240, 255, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 91 SER H 93 ARG H 5.50 (#peak 1370 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1370, nxpk= 0, iat=1475,1505, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 ASP HB2 39 ILE H 4.86 (#peak 1371 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1371, nxpk= 0, iat= 512, 623, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 39 ILE H 40 LEU H 4.73 (#peak 1373 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1373, nxpk= 0, iat= 623, 642, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 16 LEU QD1 64 PHE H 5.50 (#peak 1376 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1376, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 230, 231, 232,
&end
#
# 119 ARG HE 120 LYS H 4.34 (#peak 1378 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1378, nxpk= 0, iat=1962,1973, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 54 ARG HB3 55 ILE H 3.85 (#peak 1381 #SUP 0.54 #QF 0.54)
&rst
ixpk= 1381, nxpk= 0, iat= 872, 891, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 51 LEU H 54 ARG H 5.30 (#peak 1386 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1386, nxpk= 0, iat= 812, 867, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 47 GLU H 51 LEU H 5.12 (#peak 1388 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1388, nxpk= 0, iat= 742, 812, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 48 LEU H 51 LEU H 5.18 (#peak 1389 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1389, nxpk= 0, iat= 757, 812, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 51 LEU H 52 PRO HA 5.50 (#peak 1390 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1390, nxpk= 0, iat= 812, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 LEU H 51 LEU HG 4.45 (#peak 1392 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1392, nxpk= 0, iat= 812, 819, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 26 TYR H 46 THR H 5.50 (#peak 1395 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1395, nxpk= 0, iat= 401, 728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 LEU HA 26 TYR H 5.46 (#peak 1396 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1396, nxpk= 0, iat= 279, 401, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 131 ALA HA 133 PHE H 4.53 (#peak 1401 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1401, nxpk= 0, iat=2143,2163, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 86 PRO QG 90 CYS H 4.57 (#peak 1404 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1404, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1412,1413,
&end
#
# 93 ARG H 94 GLU HA 5.02 (#peak 1405 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1405, nxpk= 0, iat=1505,1531, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 124 ASP H 128 GLU H 5.50 (#peak 1414 #SUP 0.67 #QF 0.67)
&rst
ixpk= 1414, nxpk= 0, iat=2048,2093, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 GLU H 38 ILE HA 4.96 (#peak 1415 #SUP 0.99 #QF 0.82)
&rst
ixpk= 1415, nxpk= 0, iat= 474, 606, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 124 ASP H 125 ASN HA 5.47 (#peak 1415 #SUP 0.99 #QF 0.82)
&rst
ixpk= 1415, nxpk= 0, iat=2048,2062, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 9 SER H 13 PHE H 5.00 (#peak 1417 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1417, nxpk= 0, iat= 117, 174, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 ASP HA 13 PHE H 4.50 (#peak 1418 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1418, nxpk= 0, iat= 154, 174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ARG HA 13 PHE H 3.95 (#peak 1419 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1419, nxpk= 0, iat= 130, 174, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 13 PHE H 13 PHE HB3 3.25 (#peak 1423 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1423, nxpk= 0, iat= 174, 179, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 13 PHE H 13 PHE HB2 3.29 (#peak 1424 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1424, nxpk= 0, iat= 174, 178, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 12 ALA QB 13 PHE H 3.46 (#peak 1430 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1430, nxpk= 0, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 168, 169, 170,
&end
#
# 8 ILE HG12 13 PHE H 4.06 (#peak 1431 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1431, nxpk= 0, iat= 108, 174, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 13 PHE H 14 GLN HB2 4.78 (#peak 1433 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1433, nxpk= 0, iat= 174, 198, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 57 LYS H 57 LYS QE 4.88 (#peak 1435 #SUP 0.61 #QF 0.61)
&rst
ixpk= 1435, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 937, 938,
&end
#
# 34 LYS H 34 LYS QE 5.50 (#peak 1436 #SUP 0.95 #QF 0.49)
&rst
ixpk= 1436, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 552, 553,
&end
#
# 34 LYS H 36 GLU HA 5.50 (#peak 1436 #SUP 0.95 #QF 0.49)
&rst
ixpk= 1436, nxpk= 0, iat= 539, 577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LYS H 34 LYS QD 5.49 (#peak 1438 #SUP 0.99 #QF 0.25)
&rst
ixpk= 1438, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 549, 550,
&end
#
# 31 ILE QG2 34 LYS H 5.50 (#peak 1440 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1440, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 495, 496, 497,
&end
#
# 34 LYS H 36 GLU H 3.84 (#peak 1441 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1441, nxpk= 0, iat= 539, 575, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 32 ASP H 34 LYS H 5.23 (#peak 1443 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1443, nxpk= 0, iat= 508, 539, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 107 GLU H 111 ARG H 5.50 (#peak 1444 #SUP 0.37 #QF 0.37)
&rst
ixpk= 1444, nxpk= 0, iat=1743,1808, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 PRO HA 88 TYR H 4.28 (#peak 1446 #SUP 0.38 #QF 0.38)
&rst
ixpk= 1446, nxpk= 0, iat=1418,1429, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 96 MET H 96 MET QE 4.36 (#peak 1447 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1447, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1579,1580,1581,
&end
#
# 76 LEU HB2 77 GLU H 3.75 (#peak 1448 #SUP 0.94 #QF 0.79)
&rst
ixpk= 1448, nxpk= 0, iat=1247,1262, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 134 LEU H 134 LEU HG 3.91 (#peak 1448 #SUP 0.94 #QF 0.79)
&rst
ixpk= 1448, nxpk= 0, iat=2183,2190, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 131 ALA H 134 LEU H 5.05 (#peak 1449 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1449, nxpk= 0, iat=2141,2183, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 138 VAL H 139 HIS HA 5.30 (#peak 1454 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1454, nxpk= 0, iat=2250,2268, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 136 ASP H 139 HIS H 5.50 (#peak 1456 #SUP 0.96 #QF 0.30)
&rst
ixpk= 1456, nxpk= 0, iat=2223,2266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 GLU H 109 VAL H 4.67 (#peak 1457 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1457, nxpk= 0, iat=1743,1777, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 133 PHE QD 136 ASP H 5.50 (#peak 1458 #SUP 0.61 #QF 0.61)
&rst
ixpk= 1458, nxpk= 0, iat= -1,2223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2171,2179,
&end
#
# 109 VAL H 109 VAL QG2 3.80 (#peak 1462 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1462, nxpk= 0, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1787,1788,1789,
&end
#
# 16 LEU H 17 GLU H 3.37 (#peak 1466 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1466, nxpk= 0, iat= 221, 240, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 14 GLN H 16 LEU H 4.58 (#peak 1467 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1467, nxpk= 0, iat= 194, 221, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 13 PHE HA 16 LEU H 3.85 (#peak 1469 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1469, nxpk= 0, iat= 176, 221, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 16 LEU H 16 LEU QD1 4.33 (#peak 1473 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1473, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 230, 231, 232,
&end
#
# 16 LEU H 16 LEU HB3 3.88 (#peak 1474 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1474, nxpk= 0, iat= 221, 226, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 16 LEU H 27 VAL QG2 4.25 (#peak 1474 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1474, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 432, 433, 434,
&end
#
# 16 LEU H 17 GLU HG3 4.91 (#peak 1476 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1476, nxpk= 0, iat= 221, 248, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 12 ALA HA 16 LEU H 4.82 (#peak 1478 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1478, nxpk= 0, iat= 166, 221, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 134 LEU H 135 TYR H 3.32 (#peak 1479 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1479, nxpk= 0, iat=2183,2202, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 132 ASP HA 135 TYR H 4.40 (#peak 1481 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1481, nxpk= 0, iat=2153,2202, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 131 ALA HA 135 TYR H 4.25 (#peak 1484 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1484, nxpk= 0, iat=2143,2202, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 135 TYR H 135 TYR HB2 3.14 (#peak 1485 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1485, nxpk= 0, iat=2202,2206, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 135 TYR H 135 TYR HB3 3.19 (#peak 1486 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1486, nxpk= 0, iat=2202,2207, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 134 LEU HB2 135 TYR H 3.51 (#peak 1489 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1489, nxpk= 0, iat=2187,2202, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 134 LEU HB3 135 TYR H 3.82 (#peak 1490 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1490, nxpk= 0, iat=2188,2202, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 134 LEU QD2 135 TYR H 4.95 (#peak 1491 #SUP 0.58 #QF 0.58)
&rst
ixpk= 1491, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2196,2197,2198,
&end
#
# 134 LEU QD1 135 TYR H 4.95 (#peak 1492 #SUP 0.58 #QF 0.58)
&rst
ixpk= 1492, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2192,2193,2194,
&end
#
# 106 LEU H 106 LEU HB3 3.62 (#peak 1494 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1494, nxpk= 0, iat=1724,1729, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 106 LEU H 106 LEU HG 4.29 (#peak 1495 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1495, nxpk= 0, iat=1724,1731, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 114 GLN HA 115 MET H 3.52 (#peak 1498 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1498, nxpk= 0, iat=1870,1885, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 110 GLU HA 115 MET H 3.80 (#peak 1500 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1500, nxpk= 0, iat=1795,1885, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 77 GLU HA 78 SER H 3.11 (#peak 1501 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1501, nxpk= 0, iat=1264,1277, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 114 GLN H 115 MET H 3.77 (#peak 1504 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1504, nxpk= 0, iat=1868,1885, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 106 LEU H 107 GLU H 3.53 (#peak 1505 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1505, nxpk= 0, iat=1724,1743, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 68 LYS HA 78 SER H 3.83 (#peak 1510 #SUP 0.60 #QF 0.60)
&rst
ixpk= 1510, nxpk= 0, iat=1123,1277, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 94 GLU H 94 GLU HG2 4.81 (#peak 1512 #SUP 1.00)
&rst
ixpk= 1512, nxpk= 0, iat=1529,1536, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 94 GLU H 94 GLU QB 3.00 (#peak 1513 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1513, nxpk= 0, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1533,1534,
&end
#
# 94 GLU H 96 MET H 4.07 (#peak 1519 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1519, nxpk= 0, iat=1529,1568, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 93 ARG H 94 GLU H 3.33 (#peak 1520 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1520, nxpk= 0, iat=1505,1529, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 94 GLU H 95 ARG H 3.27 (#peak 1521 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1521, nxpk= 0, iat=1529,1544, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 92 ILE H 94 GLU H 4.56 (#peak 1522 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1522, nxpk= 0, iat=1486,1529, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 4 VAL H 5 ALA H 4.58 (#peak 1525 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1525, nxpk= 0, iat= 38, 54, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 36 GLU H 36 GLU HB2 4.13 (#peak 1527 #SUP 0.43 #QF 0.43)
&rst
ixpk= 1527, nxpk= 0, iat= 575, 579, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 4 VAL H 4 VAL QG2 4.39 (#peak 1528 #SUP 0.90 #QF 0.85)
&rst
ixpk= 1528, nxpk= 0, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 48, 49, 50,
&end
#
# 78 SER H 118 ILE QD1 3.78 (#peak 1528 #SUP 0.90 #QF 0.85)
&rst
ixpk= 1528, nxpk= 0, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1943,1944,1945,
&end
#
# 4 VAL H 4 VAL HB 3.51 (#peak 1530 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1530, nxpk= 0, iat= 38, 42, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 108 ILE H 109 VAL H 3.28 (#peak 1531 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1531, nxpk= 0, iat=1758,1777, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 108 ILE H 110 GLU H 4.39 (#peak 1532 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1532, nxpk= 0, iat=1758,1793, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 105 LEU HA 108 ILE H 4.09 (#peak 1533 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1533, nxpk= 0, iat=1707,1758, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 104 PRO HA 108 ILE H 4.90 (#peak 1534 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1534, nxpk= 0, iat=1701,1758, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 108 ILE H 112 GLN QB 4.90 (#peak 1535 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1535, nxpk= 0, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1836,1837,
&end
#
# 33 ILE HA 36 GLU H 4.17 (#peak 1536 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1536, nxpk= 0, iat= 522, 575, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 36 GLU H 36 GLU HB3 4.13 (#peak 1537 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1537, nxpk= 0, iat= 575, 580, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 4 VAL H 5 ALA QB 4.95 (#peak 1543 #SUP 0.63 #QF 0.63)
&rst
ixpk= 1543, nxpk= 0, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 58, 59, 60,
&end
#
# 66 LEU HG 78 SER H 4.60 (#peak 1544 #SUP 0.57 #QF 0.57)
&rst
ixpk= 1544, nxpk= 0, iat=1088,1277, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 78 SER H 79 VAL H 4.54 (#peak 1547 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1547, nxpk= 0, iat=1277,1288, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 35 ASN HB3 36 GLU H 4.45 (#peak 1552 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1552, nxpk= 0, iat= 566, 575, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 63 HIS H 81 PHE QD 5.03 (#peak 1553 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1553, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1328,1336,
&end
#
# 63 HIS H 64 PHE QB 5.50 (#peak 1554 #SUP 0.64 #QF 0.64)
&rst
ixpk= 1554, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1045,1046,
&end
#
# 92 ILE HA 95 ARG H 4.13 (#peak 1556 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1556, nxpk= 0, iat=1488,1544, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 95 ARG H 97 LEU HB2 5.25 (#peak 1558 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1558, nxpk= 0, iat=1544,1589, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 92 ILE H 95 ARG H 5.19 (#peak 1560 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1560, nxpk= 0, iat=1486,1544, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 125 ASN H 127 ASP H 4.46 (#peak 1561 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1561, nxpk= 0, iat=2060,2081, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 139 HIS H 140 PRO QG 5.19 (#peak 1570 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1570, nxpk= 0, iat=2266, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2=2287,2288,
&end
#
# 135 TYR HA 139 HIS H 4.12 (#peak 1572 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1572, nxpk= 0, iat=2204,2266, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 18 LYS H 20 SER H 4.23 (#peak 1575 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1575, nxpk= 0, iat= 255, 296, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 19 LEU HB3 20 SER H 3.50 (#peak 1576 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1576, nxpk= 0, iat= 282, 296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 SER H 113 LEU QD2 5.36 (#peak 1577 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1577, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1862,1863,1864,
&end
#
# 97 LEU H 98 TYR H 3.45 (#peak 1579 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1579, nxpk= 0, iat=1585,1604, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 98 TYR H 98 TYR QE 4.51 (#peak 1581 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1581, nxpk= 0, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1614,1619,
&end
#
# 98 TYR H 98 TYR HB3 3.65 (#peak 1582 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1582, nxpk= 0, iat=1604,1609, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 31 ILE HB 98 TYR H 5.40 (#peak 1585 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1585, nxpk= 0, iat= 493,1604, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 31 ILE HG12 98 TYR H 5.11 (#peak 1586 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1586, nxpk= 0, iat= 499,1604, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 23 GLN H 24 LEU QD1 5.50 (#peak 1600 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1600, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 377, 378, 379,
&end
#
# 22 LYS HA 23 GLN H 3.37 (#peak 1604 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1604, nxpk= 0, iat= 331, 351, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 19 LEU HA 23 GLN H 3.74 (#peak 1605 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1605, nxpk= 0, iat= 279, 351, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 21 LYS HA 23 GLN H 5.35 (#peak 1607 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1607, nxpk= 0, iat= 309, 351, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 23 GLN H 24 LEU HA 5.19 (#peak 1608 #SUP 0.60 #QF 0.60)
&rst
ixpk= 1608, nxpk= 0, iat= 351, 370, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 14 GLN H 17 GLU H 5.10 (#peak 1609 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1609, nxpk= 0, iat= 194, 240, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 14 GLN H 14 GLN HB3 3.51 (#peak 1611 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1611, nxpk= 0, iat= 194, 199, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 14 GLN H 17 GLU HG2 4.45 (#peak 1612 #SUP 0.72 #QF 0.72)
&rst
ixpk= 1612, nxpk= 0, iat= 194, 247, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 14 GLN H 16 LEU HB2 5.50 (#peak 1613 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1613, nxpk= 0, iat= 194, 225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLN H 40 LEU QD1 5.50 (#peak 1615 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1615, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 651, 652, 653,
&end
#
# 132 ASP H 135 TYR H 4.87 (#peak 1617 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1617, nxpk= 0, iat=2151,2202, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 109 VAL H 112 GLN H 5.20 (#peak 1621 #SUP 0.54 #QF 0.54)
&rst
ixpk= 1621, nxpk= 0, iat=1777,1832, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 112 GLN H 112 GLN QB 3.49 (#peak 1624 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1624, nxpk= 0, iat=1832, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1836,1837,
&end
#
# 107 GLU HA 111 ARG H 4.22 (#peak 1626 #SUP 0.54 #QF 0.54)
&rst
ixpk= 1626, nxpk= 0, iat=1745,1808, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 112 GLN H 112 GLN HG2 4.66 (#peak 1627 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1627, nxpk= 0, iat=1832,1839, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 84 SER HA 123 ILE H 4.06 (#peak 1629 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1629, nxpk= 0, iat=1382,2029, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 122 GLU QB 123 ILE H 3.64 (#peak 1631 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1631, nxpk= 0, iat= -1,2029, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1=2018,2019,
&end
#
# 122 GLU HG2 123 ILE H 4.80 (#peak 1632 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1632, nxpk= 0, iat=2021,2029, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 82 ILE QG2 123 ILE H 3.93 (#peak 1633 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1633, nxpk= 0, iat= -1,2029, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1346,1347,1348,
&end
#
# 123 ILE H 123 ILE HB 4.05 (#peak 1634 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1634, nxpk= 0, iat=2029,2033, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 123 ILE H 124 ASP H 4.64 (#peak 1639 #SUP 0.66 #QF 0.66)
&rst
ixpk= 1639, nxpk= 0, iat=2029,2048, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 101 CYS H 103 SER H 4.63 (#peak 1640 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1640, nxpk= 0, iat=1647,1680, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 62 TYR QE 101 CYS H 5.12 (#peak 1641 #SUP 0.68 #QF 0.68)
&rst
ixpk= 1641, nxpk= 0, iat= -1,1647, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1013,1018,
&end
#
# 38 ILE QD1 101 CYS H 4.77 (#peak 1644 #SUP 0.49 #QF 0.49)
&rst
ixpk= 1644, nxpk= 0, iat= -1,1647, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 617, 618, 619,
&end
#
# 121 ILE HG12 137 GLU H 5.50 (#peak 1646 #SUP 0.42 #QF 0.42)
&rst
ixpk= 1646, nxpk= 0, iat=2005,2235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 TYR HB3 137 GLU H 4.90 (#peak 1651 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1651, nxpk= 0, iat=2207,2235, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 25 ASN H 27 VAL H 4.99 (#peak 1654 #SUP 0.65 #QF 0.65)
&rst
ixpk= 1654, nxpk= 0, iat= 387, 422, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 86 PRO HB2 89 THR H 4.69 (#peak 1655 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1655, nxpk= 0, iat=1415,1450, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 86 PRO HB3 87 GLY H 4.09 (#peak 1662 #SUP 1.00)
&rst
ixpk= 1662, nxpk= 0, iat=1416,1422, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 86 PRO HB2 87 GLY H 3.55 (#peak 1663 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1663, nxpk= 0, iat=1415,1422, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 86 PRO QG 87 GLY H 4.35 (#peak 1664 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1664, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1412,1413,
&end
#
# 87 GLY H 89 THR H 4.69 (#peak 1665 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1665, nxpk= 0, iat=1422,1450, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 123 ILE H 126 GLY H 5.50 (#peak 1669 #SUP 0.61 #QF 0.61)
&rst
ixpk= 1669, nxpk= 0, iat=2029,2074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 GLY H 127 ASP HA 5.50 (#peak 1671 #SUP 1.00)
&rst
ixpk= 1671, nxpk= 0, iat=2074,2083, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 SER H 103 SER HB2 3.58 (#peak 1672 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1672, nxpk= 0, iat=1680,1684, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 103 SER H 104 PRO QD 3.16 (#peak 1673 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1673, nxpk= 0, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1692,1693,
&end
#
# 102 LYS HB2 103 SER H 3.78 (#peak 1676 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1676, nxpk= 0, iat=1662,1680, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 102 LYS HB3 103 SER H 3.70 (#peak 1677 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1677, nxpk= 0, iat=1663,1680, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 102 LYS QE 103 SER H 5.33 (#peak 1678 #SUP 0.44 #QF 0.44)
&rst
ixpk= 1678, nxpk= 0, iat= -1,1680, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1671,1672,
&end
#
# 103 SER H 105 LEU HG 4.85 (#peak 1679 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1679, nxpk= 0, iat=1680,1712, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 103 SER H 104 PRO HG2 4.22 (#peak 1682 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1682, nxpk= 0, iat=1680,1695, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 70 SER H 135 TYR QE 5.41 (#peak 1683 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1683, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2212,2217,
&end
#
# 40 LEU HA 42 ASN H 4.55 (#peak 1689 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1689, nxpk= 0, iat= 644, 671, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 27 VAL HA 42 ASN H 5.14 (#peak 1690 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1690, nxpk= 0, iat= 424, 671, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 42 ASN H 42 ASN HB3 3.87 (#peak 1691 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1691, nxpk= 0, iat= 671, 676, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 42 ASN H 42 ASN HB2 3.87 (#peak 1692 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1692, nxpk= 0, iat= 671, 675, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 28 GLN HG3 42 ASN H 4.57 (#peak 1693 #SUP 1.00)
&rst
ixpk= 1693, nxpk= 0, iat= 446, 671, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 41 ALA QB 42 ASN H 3.15 (#peak 1694 #SUP 0.99 #QF 0.23)
&rst
ixpk= 1694, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 665, 666, 667,
&end
#
# 28 GLN HB3 42 ASN H 3.73 (#peak 1695 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1695, nxpk= 0, iat= 443, 671, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 28 GLN HA 42 ASN H 4.76 (#peak 1696 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1696, nxpk= 0, iat= 440, 671, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 125 ASN HD21 127 ASP QB 4.29 (#peak 1711 #SUP 0.49 #QF 0.49)
&rst
ixpk= 1711, nxpk= 0, iat=2069, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=2085,2086,
&end
#
# 125 ASN HD21 128 GLU HG3 4.85 (#peak 1712 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1712, nxpk= 0, iat=2069,2101, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 125 ASN HD21 128 GLU HG2 4.90 (#peak 1713 #SUP 0.58 #QF 0.58)
&rst
ixpk= 1713, nxpk= 0, iat=2069,2100, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 125 ASN HD22 127 ASP QB 4.29 (#peak 1715 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1715, nxpk= 0, iat=2070, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=2085,2086,
&end
#
# 125 ASN HD22 128 GLU HG2 4.90 (#peak 1716 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1716, nxpk= 0, iat=2070,2100, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 125 ASN HD22 128 GLU HG3 4.85 (#peak 1717 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1717, nxpk= 0, iat=2070,2101, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 113 LEU H 114 GLN H 3.69 (#peak 1724 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1724, nxpk= 0, iat=1849,1868, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 114 GLN H 114 GLN QB 3.79 (#peak 1727 #SUP 0.92 #QF 0.82)
&rst
ixpk= 1727, nxpk= 0, iat=1868, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1872,1873,
&end
#
# 88 TYR QB 89 THR H 3.71 (#peak 1731 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1731, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1433,1434,
&end
#
# 87 GLY QA 89 THR H 4.76 (#peak 1732 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1732, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1424,1425,
&end
#
# 67 TYR QD 68 LYS H 3.83 (#peak 1736 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1736, nxpk= 0, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1108,1117,
&end
#
# 67 TYR QE 68 LYS H 5.31 (#peak 1737 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1737, nxpk= 0, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1110,1115,
&end
#
# 67 TYR HA 68 LYS H 3.26 (#peak 1739 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1739, nxpk= 0, iat=1102,1121, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 68 LYS H 77 GLU HA 5.07 (#peak 1740 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1740, nxpk= 0, iat=1121,1264, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 67 TYR HB2 68 LYS H 4.79 (#peak 1742 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1742, nxpk= 0, iat=1104,1121, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 68 LYS H 68 LYS HB3 3.91 (#peak 1743 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1743, nxpk= 0, iat=1121,1126, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 68 LYS H 68 LYS QD 4.08 (#peak 1744 #SUP 0.64 #QF 0.64)
&rst
ixpk= 1744, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1131,1132,
&end
#
# 68 LYS H 68 LYS HG2 4.14 (#peak 1745 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1745, nxpk= 0, iat=1121,1128, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 68 LYS H 68 LYS HG3 4.14 (#peak 1746 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1746, nxpk= 0, iat=1121,1129, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 68 LYS H 68 LYS HB2 3.91 (#peak 1747 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1747, nxpk= 0, iat=1121,1125, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 36 GLU H 37 THR H 3.36 (#peak 1751 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1751, nxpk= 0, iat= 575, 590, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 35 ASN H 37 THR H 4.09 (#peak 1752 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1752, nxpk= 0, iat= 561, 590, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 37 THR H 37 THR HB 3.63 (#peak 1756 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1756, nxpk= 0, iat= 590, 594, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 32 ASP HB3 37 THR H 3.65 (#peak 1758 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1758, nxpk= 0, iat= 513, 590, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 36 GLU HA 37 THR H 3.23 (#peak 1759 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1759, nxpk= 0, iat= 577, 590, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 35 ASN HB3 37 THR H 5.31 (#peak 1760 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1760, nxpk= 0, iat= 566, 590, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 32 ASP HB2 37 THR H 4.60 (#peak 1761 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1761, nxpk= 0, iat= 512, 590, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 35 ASN HB2 37 THR H 4.55 (#peak 1762 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1762, nxpk= 0, iat= 565, 590, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 36 GLU HB3 37 THR H 4.53 (#peak 1764 #SUP 0.61 #QF 0.61)
&rst
ixpk= 1764, nxpk= 0, iat= 580, 590, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 37 THR H 37 THR QG2 3.55 (#peak 1765 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1765, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 596, 597, 598,
&end
#
# 36 GLU HB2 37 THR H 4.53 (#peak 1766 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1766, nxpk= 0, iat= 579, 590, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 32 ASP H 37 THR H 3.64 (#peak 1768 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1768, nxpk= 0, iat= 508, 590, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 28 GLN HE21 63 HIS HE1 4.64 (#peak 1770 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1770, nxpk= 0, iat= 450,1034, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 28 GLN HB3 28 GLN HE21 4.63 (#peak 1773 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1773, nxpk= 0, iat= 443, 450, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 28 GLN HE22 63 HIS HE1 4.35 (#peak 1775 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1775, nxpk= 0, iat= 451,1034, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 28 GLN HE22 63 HIS HB3 4.79 (#peak 1778 #SUP 0.40 #QF 0.40)
&rst
ixpk= 1778, nxpk= 0, iat= 451,1029, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 28 GLN HB2 28 GLN HE22 4.48 (#peak 1779 #SUP 0.53 #QF 0.53)
&rst
ixpk= 1779, nxpk= 0, iat= 442, 451, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 28 GLN HB3 28 GLN HE22 5.26 (#peak 1780 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1780, nxpk= 0, iat= 443, 451, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 28 GLN HE22 41 ALA QB 5.50 (#peak 1781 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1781, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 665, 666, 667,
&end
#
# 21 LYS HB2 23 GLN HE21 4.86 (#peak 1786 #SUP 0.95 #QF 0.92)
&rst
ixpk= 1786, nxpk= 0, iat= 311, 363, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 21 LYS HB2 23 GLN HE22 4.86 (#peak 1787 #SUP 0.99 #QF 0.61)
&rst
ixpk= 1787, nxpk= 0, iat= 311, 364, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 21 LYS HB3 23 GLN HE22 4.86 (#peak 1789 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1789, nxpk= 0, iat= 312, 364, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 21 LYS HB3 23 GLN HE21 4.86 (#peak 1790 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1790, nxpk= 0, iat= 312, 363, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 23 GLN HA 23 GLN HE22 4.96 (#peak 1793 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1793, nxpk= 0, iat= 353, 364, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 23 GLN HG2 23 GLN HE21 3.75 (#peak 1796 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1796, nxpk= 0, iat= 358, 363, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 23 GLN HG3 23 GLN HE21 3.79 (#peak 1797 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1797, nxpk= 0, iat= 359, 363, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 23 GLN HG2 23 GLN HE22 3.75 (#peak 1798 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1798, nxpk= 0, iat= 358, 364, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 23 GLN HG3 23 GLN HE22 3.79 (#peak 1799 #SUP 1.00)
&rst
ixpk= 1799, nxpk= 0, iat= 359, 364, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 108 ILE QG2 112 GLN HE21 4.56 (#peak 1800 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1800, nxpk= 0, iat= -1,1844, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1764,1765,1766,
&end
#
# 108 ILE QG2 112 GLN HE22 4.56 (#peak 1805 #SUP 0.95 #QF 0.91)
&rst
ixpk= 1805, nxpk= 0, iat= -1,1845, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1764,1765,1766,
&end
#
# 59 SER H 59 SER QB 3.50 (#peak 1810 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1810, nxpk= 0, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 962, 963,
&end
#
# 59 SER H 86 PRO QG 3.70 (#peak 1812 #SUP 0.60 #QF 0.60)
&rst
ixpk= 1812, nxpk= 0, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1412,1413,
&end
#
# 58 ASP H 59 SER H 2.94 (#peak 1819 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1819, nxpk= 0, iat= 946, 958, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 57 LYS H 59 SER H 4.32 (#peak 1820 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1820, nxpk= 0, iat= 924, 958, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 25 ASN HD22 45 ASN QB 5.50 (#peak 1829 #SUP 0.57 #QF 0.57)
&rst
ixpk= 1829, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 718, 719,
&end
#
# 25 ASN HD21 45 ASN QB 5.50 (#peak 1834 #SUP 0.25 #QF 0.25)
&rst
ixpk= 1834, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 718, 719,
&end
#
# 51 LEU HA 53 LYS H 3.87 (#peak 1838 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1838, nxpk= 0, iat= 814, 845, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 52 PRO HD2 53 LYS H 3.84 (#peak 1839 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1839, nxpk= 0, iat= 832, 845, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 53 LYS H 53 LYS QE 5.50 (#peak 1840 #SUP 0.90 #QF 0.83)
&rst
ixpk= 1840, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 858, 859,
&end
#
# 50 ASP QB 53 LYS H 4.97 (#peak 1841 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1841, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 804, 805,
&end
#
# 53 LYS H 54 ARG HB2 4.75 (#peak 1843 #SUP 1.00)
&rst
ixpk= 1843, nxpk= 0, iat= 845, 871, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 53 LYS H 53 LYS QB 3.00 (#peak 1844 #SUP 0.65 #QF 0.65)
&rst
ixpk= 1844, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 849, 850,
&end
#
# 53 LYS H 53 LYS QG 3.11 (#peak 1846 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1846, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 852, 853,
&end
#
# 53 LYS H 54 ARG HG2 4.32 (#peak 1847 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1847, nxpk= 0, iat= 845, 874, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 46 THR QG2 53 LYS H 4.99 (#peak 1849 #SUP 0.70 #QF 0.70)
&rst
ixpk= 1849, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 734, 735, 736,
&end
#
# 53 LYS H 54 ARG H 3.13 (#peak 1852 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1852, nxpk= 0, iat= 845, 867, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 42 ASN HD22 44 GLU QG 3.89 (#peak 1860 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1860, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 706, 707,
&end
#
# 41 ALA QB 42 ASN HD21 5.50 (#peak 1863 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1863, nxpk= 0, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 665, 666, 667,
&end
#
# 114 GLN QB 114 GLN HE21 4.23 (#peak 1870 #SUP 1.00 #QF 0.98)
&rst
ixpk= 1870, nxpk= 0, iat= -1,1880, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=1872,1873,
&end
#
# 114 GLN QB 114 GLN HE22 4.23 (#peak 1872 #SUP 1.00)
&rst
ixpk= 1872, nxpk= 0, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=1872,1873,
&end
#
# 42 ASN HD21 44 GLU QG 4.17 (#peak 1874 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1874, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 706, 707,
&end
#
# 22 LYS H 22 LYS HB3 4.01 (#peak 1884 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1884, nxpk= 0, iat= 329, 334, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 22 LYS H 22 LYS HG3 4.27 (#peak 1888 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1888, nxpk= 0, iat= 329, 337, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 22 LYS H 66 LEU HB2 5.50 (#peak 1889 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1889, nxpk= 0, iat= 329,1085, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 LEU QD1 22 LYS H 5.50 (#peak 1891 #SUP 0.96 #QF 0.45)
&rst
ixpk= 1891, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 286, 287, 288,
&end
#
# 19 LEU QD2 22 LYS H 5.50 (#peak 1891 #SUP 0.96 #QF 0.45)
&rst
ixpk= 1891, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 290, 291, 292,
&end
#
# 111 ARG H 112 GLN QB 4.64 (#peak 1893 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1893, nxpk= 0, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1836,1837,
&end
#
# 111 ARG H 111 ARG HG2 4.04 (#peak 1896 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1896, nxpk= 0, iat=1808,1815, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 108 ILE QG2 111 ARG H 5.50 (#peak 1898 #SUP 0.71 #QF 0.39)
&rst
ixpk= 1898, nxpk= 0, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1764,1765,1766,
&end
#
# 61 ARG H 83 TYR QE 4.36 (#peak 1903 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1903, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1369,1374,
&end
#
# 61 ARG H 62 TYR HA 4.97 (#peak 1905 #SUP 0.83 #QF 0.64)
&rst
ixpk= 1905, nxpk= 0, iat= 979,1005, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 61 ARG H 83 TYR HA 5.38 (#peak 1905 #SUP 0.83 #QF 0.64)
&rst
ixpk= 1905, nxpk= 0, iat= 979,1361, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 61 ARG H 61 ARG QD 5.41 (#peak 1908 #SUP 0.95 #QF 0.93)
&rst
ixpk= 1908, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 989, 990,
&end
#
# 60 ALA QB 61 ARG H 3.44 (#peak 1912 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1912, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 973, 974, 975,
&end
#
# 60 ALA HA 61 ARG H 3.11 (#peak 1914 #SUP 1.00 #QF 0.84)
&rst
ixpk= 1914, nxpk= 0, iat= 971, 979, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 57 LYS H 58 ASP H 3.19 (#peak 1915 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1915, nxpk= 0, iat= 924, 946, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 57 LYS HA 58 ASP H 3.51 (#peak 1919 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1919, nxpk= 0, iat= 926, 946, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 58 ASP H 59 SER QB 4.44 (#peak 1921 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1921, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 962, 963,
&end
#
# 58 ASP H 58 ASP HB2 3.98 (#peak 1923 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1923, nxpk= 0, iat= 946, 950, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 58 ASP H 58 ASP HB3 3.98 (#peak 1924 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1924, nxpk= 0, iat= 946, 951, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 57 LYS QG 58 ASP H 4.18 (#peak 1927 #SUP 0.65 #QF 0.65)
&rst
ixpk= 1927, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 931, 932,
&end
#
# 98 TYR H 99 SER H 3.38 (#peak 1929 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1929, nxpk= 0, iat=1604,1625, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 99 SER H 100 SER H 3.19 (#peak 1930 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1930, nxpk= 0, iat=1625,1636, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 98 TYR QD 99 SER H 4.21 (#peak 1931 #SUP 0.58 #QF 0.58)
&rst
ixpk= 1931, nxpk= 0, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1612,1621,
&end
#
# 99 SER H 99 SER QB 2.89 (#peak 1933 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1933, nxpk= 0, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1629,1630,
&end
#
# 98 TYR HB2 99 SER H 3.90 (#peak 1935 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1935, nxpk= 0, iat=1608,1625, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 98 TYR HB3 99 SER H 3.90 (#peak 1936 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1936, nxpk= 0, iat=1609,1625, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 96 MET QB 99 SER H 4.94 (#peak 1937 #SUP 0.43 #QF 0.43)
&rst
ixpk= 1937, nxpk= 0, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1572,1573,
&end
#
# 99 SER H 102 LYS HB2 4.93 (#peak 1938 #SUP 0.51 #QF 0.51)
&rst
ixpk= 1938, nxpk= 0, iat=1625,1662, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 97 LEU HB2 99 SER H 5.49 (#peak 1939 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1939, nxpk= 0, iat=1589,1625, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 60 ALA QB 99 SER H 5.50 (#peak 1940 #SUP 0.48 #QF 0.48)
&rst
ixpk= 1940, nxpk= 0, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 973, 974, 975,
&end
#
# 42 ASN HB3 43 THR H 4.17 (#peak 1943 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1943, nxpk= 0, iat= 676, 685, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 27 VAL HA 43 THR H 5.50 (#peak 1944 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1944, nxpk= 0, iat= 424, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 ASN H 43 THR H 4.98 (#peak 1945 #SUP 0.80 #QF 0.56)
&rst
ixpk= 1945, nxpk= 0, iat= 671, 685, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 42 ASN HD21 43 THR H 5.18 (#peak 1945 #SUP 0.80 #QF 0.56)
&rst
ixpk= 1945, nxpk= 0, iat= 680, 685, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 42 ASN HD22 43 THR H 4.62 (#peak 1946 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1946, nxpk= 0, iat= 681, 685, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 26 TYR QD 43 THR H 5.50 (#peak 1947 #SUP 0.36 #QF 0.36)
&rst
ixpk= 1947, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 409, 418,
&end
#
# 54 ARG H 55 ILE HB 4.65 (#peak 1948 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1948, nxpk= 0, iat= 867, 895, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 52 PRO HD2 54 ARG H 4.89 (#peak 1949 #SUP 0.62 #QF 0.62)
&rst
ixpk= 1949, nxpk= 0, iat= 832, 867, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 113 LEU H 113 LEU QD1 4.31 (#peak 1951 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1951, nxpk= 0, iat=1849, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1858,1859,1860,
&end
#
# 49 ARG QG 50 ASP H 3.30 (#peak 1954 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1954, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 783, 784,
&end
#
# 112 GLN QB 113 LEU H 3.79 (#peak 1957 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1957, nxpk= 0, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1836,1837,
&end
#
# 50 ASP H 50 ASP QB 3.06 (#peak 1958 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1958, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 804, 805,
&end
#
# 62 TYR H 62 TYR HB2 3.73 (#peak 1959 #SUP 0.62 #QF 0.62)
&rst
ixpk= 1959, nxpk= 0, iat=1003,1007, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 62 TYR H 62 TYR HB3 3.92 (#peak 1960 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1960, nxpk= 0, iat=1003,1008, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 50 ASP H 52 PRO HD2 4.28 (#peak 1961 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1961, nxpk= 0, iat= 800, 832, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 50 ASP H 52 PRO HD3 4.10 (#peak 1962 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1962, nxpk= 0, iat= 800, 833, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 46 THR QG2 50 ASP H 3.86 (#peak 1964 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1964, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 734, 735, 736,
&end
#
# 61 ARG HA 62 TYR H 3.44 (#peak 1966 #SUP 0.96 #QF 0.94)
&rst
ixpk= 1966, nxpk= 0, iat= 981,1003, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 30 GLU HA 62 TYR H 4.38 (#peak 1968 #SUP 0.57 #QF 0.57)
&rst
ixpk= 1968, nxpk= 0, iat= 476,1003, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 62 TYR H 98 TYR QE 4.25 (#peak 1970 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1970, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1614,1619,
&end
#
# 62 TYR H 83 TYR QE 5.41 (#peak 1971 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1971, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1369,1374,
&end
#
# 50 ASP H 51 LEU H 3.00 (#peak 1972 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1972, nxpk= 0, iat= 800, 812, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 112 GLN H 113 LEU H 3.66 (#peak 1973 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1973, nxpk= 0, iat=1832,1849, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 47 GLU H 50 ASP H 4.09 (#peak 1977 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1977, nxpk= 0, iat= 742, 800, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 47 GLU HA 50 ASP H 4.96 (#peak 1978 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1978, nxpk= 0, iat= 744, 800, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 128 GLU H 128 GLU HG3 3.59 (#peak 1980 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1980, nxpk= 0, iat=2093,2101, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 127 ASP QB 128 GLU H 4.00 (#peak 1981 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1981, nxpk= 0, iat= -1,2093, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2085,2086,
&end
#
# 128 GLU H 128 GLU HG2 3.77 (#peak 1982 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1982, nxpk= 0, iat=2093,2100, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 123 ILE QG2 128 GLU H 4.60 (#peak 1984 #SUP 0.74 #QF 0.53)
&rst
ixpk= 1984, nxpk= 0, iat= -1,2093, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=2035,2036,2037,
&end
#
# 48 LEU H 50 ASP H 4.58 (#peak 1991 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1991, nxpk= 0, iat= 757, 800, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 61 ARG H 62 TYR H 4.42 (#peak 1993 #SUP 0.70 #QF 0.70)
&rst
ixpk= 1993, nxpk= 0, iat= 979,1003, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 62 TYR H 63 HIS H 4.79 (#peak 1994 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1994, nxpk= 0, iat=1003,1024, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 126 GLY H 128 GLU H 4.65 (#peak 1996 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1996, nxpk= 0, iat=2074,2093, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 24 LEU H 26 TYR H 4.68 (#peak 2001 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2001, nxpk= 0, iat= 368, 401, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 119 ARG H 120 LYS HA 4.92 (#peak 2002 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2002, nxpk= 0, iat=1949,1975, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 24 LEU H 25 ASN HA 4.69 (#peak 2004 #SUP 0.83 #QF 0.83)
&rst
ixpk= 2004, nxpk= 0, iat= 368, 389, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 103 SER H 105 LEU H 4.59 (#peak 2014 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2014, nxpk= 0, iat=1680,1705, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 104 PRO HB2 105 LEU H 4.26 (#peak 2019 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2019, nxpk= 0, iat=1698,1705, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 105 LEU H 105 LEU HG 3.24 (#peak 2020 #SUP 0.76 #QF 0.61)
&rst
ixpk= 2020, nxpk= 0, iat=1705,1712, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 129 LEU H 129 LEU HG 3.52 (#peak 2020 #SUP 0.76 #QF 0.61)
&rst
ixpk= 2020, nxpk= 0, iat=2108,2115, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 129 LEU H 129 LEU HB3 3.71 (#peak 2023 #SUP 0.63 #QF 0.63)
&rst
ixpk= 2023, nxpk= 0, iat=2108,2113, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 102 LYS H 103 SER H 3.62 (#peak 2026 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2026, nxpk= 0, iat=1658,1680, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 101 CYS H 102 LYS H 3.37 (#peak 2028 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2028, nxpk= 0, iat=1647,1658, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 102 LYS H 105 LEU H 4.97 (#peak 2029 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2029, nxpk= 0, iat=1658,1705, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 62 TYR QE 102 LYS H 4.86 (#peak 2030 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2030, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1013,1018,
&end
#
# 99 SER HA 102 LYS H 3.88 (#peak 2031 #SUP 0.97 #QF 0.89)
&rst
ixpk= 2031, nxpk= 0, iat=1627,1658, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 98 TYR HA 102 LYS H 4.57 (#peak 2032 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2032, nxpk= 0, iat=1606,1658, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 100 SER QB 102 LYS H 4.73 (#peak 2033 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2033, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1640,1641,
&end
#
# 102 LYS H 104 PRO QD 3.94 (#peak 2036 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2036, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1692,1693,
&end
#
# 101 CYS HB2 102 LYS H 4.80 (#peak 2037 #SUP 1.00 #QF 0.99)
&rst
ixpk= 2037, nxpk= 0, iat=1651,1658, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 102 LYS H 102 LYS HB2 3.10 (#peak 2038 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2038, nxpk= 0, iat=1658,1662, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 102 LYS H 102 LYS HB3 3.60 (#peak 2039 #SUP 0.98 #QF 0.97)
&rst
ixpk= 2039, nxpk= 0, iat=1658,1663, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 102 LYS H 105 LEU HG 5.39 (#peak 2041 #SUP 1.00 #QF 0.86)
&rst
ixpk= 2041, nxpk= 0, iat=1658,1712, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 19 LEU QD1 21 LYS H 5.50 (#peak 2045 #SUP 0.91 #QF 0.81)
&rst
ixpk= 2045, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 286, 287, 288,
&end
#
# 19 LEU QD2 21 LYS H 5.50 (#peak 2045 #SUP 0.91 #QF 0.81)
&rst
ixpk= 2045, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 290, 291, 292,
&end
#
# 21 LYS H 21 LYS HB3 3.84 (#peak 2047 #SUP 0.76 #QF 0.76)
&rst
ixpk= 2047, nxpk= 0, iat= 307, 312, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 19 LEU HB3 21 LYS H 5.16 (#peak 2049 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2049, nxpk= 0, iat= 282, 307, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 21 LYS H 21 LYS HB2 3.84 (#peak 2050 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2050, nxpk= 0, iat= 307, 311, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 21 LYS H 23 GLN HG2 4.26 (#peak 2051 #SUP 0.56 #QF 0.56)
&rst
ixpk= 2051, nxpk= 0, iat= 307, 358, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 21 LYS H 21 LYS QE 4.41 (#peak 2052 #SUP 0.67 #QF 0.67)
&rst
ixpk= 2052, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 320, 321,
&end
#
# 20 SER QB 21 LYS H 3.88 (#peak 2055 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2055, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 300, 301,
&end
#
# 19 LEU HA 21 LYS H 4.06 (#peak 2056 #SUP 0.97 #QF 0.29)
&rst
ixpk= 2056, nxpk= 0, iat= 279, 307, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 20 SER H 21 LYS H 3.14 (#peak 2061 #SUP 0.98 #QF 0.88)
&rst
ixpk= 2061, nxpk= 0, iat= 296, 307, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 55 ILE HB 55 ILE QD1 3.75 (#peak 5 #SUP 1.00)
&rst
ixpk= 5, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 904, 905, 906,
&end
#
# 51 LEU HA 55 ILE QD1 4.62 (#peak 7 #SUP 0.91 #QF 0.91)
&rst
ixpk= 7, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 904, 905, 906,
&end
#
# 52 PRO HA 55 ILE QD1 4.61 (#peak 8 #SUP 0.99 #QF 0.22)
&rst
ixpk= 8, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 904, 905, 906,
&end
#
# 55 ILE QD1 126 GLY HA2 4.79 (#peak 8 #SUP 0.99 #QF 0.22)
&rst
ixpk= 8, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 904, 905, 906,
&end
#
# 55 ILE HA 55 ILE QD1 3.59 (#peak 9 #SUP 0.98 #QF 0.98)
&rst
ixpk= 9, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 904, 905, 906,
&end
#
# 55 ILE QD1 63 HIS HE1 3.78 (#peak 12 #SUP 0.92 #QF 0.92)
&rst
ixpk= 12, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 904, 905, 906,
&end
#
# 54 ARG H 55 ILE QD1 4.85 (#peak 13 #SUP 1.00)
&rst
ixpk= 13, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 904, 905, 906,
&end
#
# 55 ILE QD1 63 HIS H 5.50 (#peak 14 #SUP 0.69 #QF 0.69)
&rst
ixpk= 14, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 904, 905, 906,
&end
#
# 31 ILE QD1 98 TYR QD 3.99 (#peak 16 #SUP 0.93 #QF 0.93)
&rst
ixpk= 16, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 502, 503, 504,
igr2=1612,1621,
&end
#
# 6 PHE QD 31 ILE QD1 5.13 (#peak 17 #SUP 0.94 #QF 0.34)
&rst
ixpk= 17, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 72, 80,
igr2= 502, 503, 504,
&end
#
# 31 ILE QD1 62 TYR QD 5.41 (#peak 17 #SUP 0.94 #QF 0.34)
&rst
ixpk= 17, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1= 502, 503, 504,
igr2=1011,1020,
&end
#
# 31 ILE H 31 ILE QD1 4.16 (#peak 19 #SUP 0.83 #QF 0.83)
&rst
ixpk= 19, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 502, 503, 504,
&end
#
# 31 ILE QD1 32 ASP H 4.70 (#peak 20 #SUP 0.87 #QF 0.87)
&rst
ixpk= 20, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 502, 503, 504,
&end
#
# 31 ILE QD1 98 TYR HA 3.41 (#peak 23 #SUP 0.94 #QF 0.94)
&rst
ixpk= 23, nxpk= 0, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 502, 503, 504,
&end
#
# 31 ILE HA 31 ILE QD1 3.88 (#peak 24 #SUP 0.93 #QF 0.93)
&rst
ixpk= 24, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 502, 503, 504,
&end
#
# 6 PHE QB 31 ILE QD1 4.47 (#peak 25 #SUP 0.72 #QF 0.72)
&rst
ixpk= 25, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 68, 69,
igr2= 502, 503, 504,
&end
#
# 31 ILE QD1 97 LEU HB3 3.64 (#peak 26 #SUP 0.55 #QF 0.55)
&rst
ixpk= 26, nxpk= 0, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 502, 503, 504,
&end
#
# 31 ILE HB 31 ILE QD1 3.48 (#peak 27 #SUP 0.99 #QF 0.99)
&rst
ixpk= 27, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 502, 503, 504,
&end
#
# 31 ILE QG2 31 ILE QD1 3.15 (#peak 29 #SUP 0.92 #QF 0.92)
&rst
ixpk= 29, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 495, 496, 497,
igr2= 502, 503, 504,
&end
#
# 78 SER HA 118 ILE QD1 4.00 (#peak 32 #SUP 0.71 #QF 0.71)
&rst
ixpk= 32, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1943,1944,1945,
&end
#
# 118 ILE HA 118 ILE QD1 3.40 (#peak 33 #SUP 0.85 #QF 0.85)
&rst
ixpk= 33, nxpk= 0, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1943,1944,1945,
&end
#
# 78 SER HB2 118 ILE QD1 4.16 (#peak 34 #SUP 0.91 #QF 0.91)
&rst
ixpk= 34, nxpk= 0, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1943,1944,1945,
&end
#
# 78 SER HB3 118 ILE QD1 4.16 (#peak 35 #SUP 0.80 #QF 0.80)
&rst
ixpk= 35, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1943,1944,1945,
&end
#
# 67 TYR HB2 118 ILE QD1 5.08 (#peak 36 #SUP 0.55 #QF 0.55)
&rst
ixpk= 36, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1943,1944,1945,
&end
#
# 118 ILE HB 118 ILE QD1 3.30 (#peak 40 #SUP 0.98 #QF 0.98)
&rst
ixpk= 40, nxpk= 0, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1943,1944,1945,
&end
#
# 67 TYR QD 118 ILE QD1 4.72 (#peak 44 #SUP 0.73 #QF 0.73)
&rst
ixpk= 44, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1108,1117,
igr2=1943,1944,1945,
&end
#
# 118 ILE QD1 119 ARG H 4.88 (#peak 45 #SUP 0.98 #QF 0.98)
&rst
ixpk= 45, nxpk= 0, iat= -1,1949, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1943,1944,1945,
&end
#
# 69 HIS HE1 118 ILE QD1 4.26 (#peak 46 #SUP 0.49 #QF 0.49)
&rst
ixpk= 46, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1943,1944,1945,
&end
#
# 118 ILE H 118 ILE QD1 4.06 (#peak 48 #SUP 0.58 #QF 0.58)
&rst
ixpk= 48, nxpk= 0, iat=1930, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1943,1944,1945,
&end
#
# 79 VAL H 118 ILE QD1 4.80 (#peak 49 #SUP 0.92 #QF 0.92)
&rst
ixpk= 49, nxpk= 0, iat=1288, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1943,1944,1945,
&end
#
# 33 ILE QD1 94 GLU H 4.46 (#peak 51 #SUP 1.00)
&rst
ixpk= 51, nxpk= 0, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 533, 534, 535,
&end
#
# 33 ILE QD1 98 TYR QE 5.12 (#peak 54 #SUP 0.81 #QF 0.81)
&rst
ixpk= 54, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 533, 534, 535,
igr2=1614,1619,
&end
#
# 92 ILE H 92 ILE QD1 4.36 (#peak 56 #SUP 0.83 #QF 0.83)
&rst
ixpk= 56, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1499,1500,1501,
&end
#
# 33 ILE QD1 94 GLU HA 3.65 (#peak 58 #SUP 0.90 #QF 0.90)
&rst
ixpk= 58, nxpk= 0, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 533, 534, 535,
&end
#
# 33 ILE HA 33 ILE QD1 3.94 (#peak 59 #SUP 0.98 #QF 0.98)
&rst
ixpk= 59, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 533, 534, 535,
&end
#
# 33 ILE QD1 94 GLU HG2 4.38 (#peak 61 #SUP 0.98 #QF 0.98)
&rst
ixpk= 61, nxpk= 0, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 533, 534, 535,
&end
#
# 33 ILE HB 33 ILE QD1 3.37 (#peak 64 #SUP 0.95 #QF 0.78)
&rst
ixpk= 64, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 533, 534, 535,
&end
#
# 108 ILE HB 108 ILE QD1 3.02 (#peak 67 #SUP 0.91 #QF 0.91)
&rst
ixpk= 67, nxpk= 0, iat=1762, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1771,1772,1773,
&end
#
# 33 ILE QD1 94 GLU QB 3.51 (#peak 68 #SUP 0.59 #QF 0.59)
&rst
ixpk= 68, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 533, 534, 535,
igr2=1533,1534,
&end
#
# 105 LEU HA 108 ILE QD1 3.42 (#peak 69 #SUP 0.80 #QF 0.80)
&rst
ixpk= 69, nxpk= 0, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1771,1772,1773,
&end
#
# 6 PHE QB 38 ILE QD1 3.70 (#peak 70 #SUP 0.60 #QF 0.60)
&rst
ixpk= 70, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 68, 69,
igr2= 617, 618, 619,
&end
#
# 38 ILE QD1 105 LEU HA 5.01 (#peak 73 #SUP 0.76 #QF 0.76)
&rst
ixpk= 73, nxpk= 0, iat= -1,1707, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 617, 618, 619,
&end
#
# 31 ILE HA 38 ILE QD1 4.69 (#peak 74 #SUP 0.94 #QF 0.31)
&rst
ixpk= 74, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 617, 618, 619,
&end
#
# 38 ILE QD1 101 CYS HA 4.93 (#peak 74 #SUP 0.94 #QF 0.31)
&rst
ixpk= 74, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 617, 618, 619,
&end
#
# 38 ILE HA 38 ILE QD1 3.91 (#peak 75 #SUP 0.99 #QF 0.99)
&rst
ixpk= 75, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 617, 618, 619,
&end
#
# 8 ILE HA 38 ILE QD1 3.89 (#peak 76 #SUP 0.58 #QF 0.58)
&rst
ixpk= 76, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 617, 618, 619,
&end
#
# 108 ILE HA 108 ILE QD1 3.99 (#peak 77 #SUP 0.99 #QF 0.99)
&rst
ixpk= 77, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1771,1772,1773,
&end
#
# 39 ILE HA 39 ILE QD1 4.36 (#peak 78 #SUP 0.71 #QF 0.71)
&rst
ixpk= 78, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 636, 637, 638,
&end
#
# 32 ASP HB3 39 ILE QD1 3.84 (#peak 79 #SUP 0.98 #QF 0.98)
&rst
ixpk= 79, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 636, 637, 638,
&end
#
# 32 ASP HB2 39 ILE QD1 3.29 (#peak 80 #SUP 0.89 #QF 0.89)
&rst
ixpk= 80, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 636, 637, 638,
&end
#
# 121 ILE QD1 134 LEU HA 3.93 (#peak 81 #SUP 0.86 #QF 0.86)
&rst
ixpk= 81, nxpk= 0, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2008,2009,2010,
&end
#
# 121 ILE HA 121 ILE QD1 4.02 (#peak 82 #SUP 1.00)
&rst
ixpk= 82, nxpk= 0, iat=1997, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=2008,2009,2010,
&end
#
# 80 VAL HB 121 ILE QD1 4.27 (#peak 83 #SUP 0.87 #QF 0.87)
&rst
ixpk= 83, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=2008,2009,2010,
&end
#
# 38 ILE QD1 62 TYR QD 4.20 (#peak 90 #SUP 0.99 #QF 0.99)
&rst
ixpk= 90, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 617, 618, 619,
igr2=1011,1020,
&end
#
# 39 ILE QD1 40 LEU H 4.34 (#peak 92 #SUP 0.91 #QF 0.91)
&rst
ixpk= 92, nxpk= 0, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 636, 637, 638,
&end
#
# 30 GLU H 39 ILE QD1 5.25 (#peak 93 #SUP 0.89 #QF 0.89)
&rst
ixpk= 93, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 636, 637, 638,
&end
#
# 32 ASP H 39 ILE QD1 4.90 (#peak 94 #SUP 0.90 #QF 0.90)
&rst
ixpk= 94, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 636, 637, 638,
&end
#
# 39 ILE H 39 ILE QD1 4.16 (#peak 95 #SUP 0.99 #QF 0.99)
&rst
ixpk= 95, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 636, 637, 638,
&end
#
# 38 ILE H 38 ILE QD1 3.81 (#peak 96 #SUP 0.99 #QF 0.99)
&rst
ixpk= 96, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 617, 618, 619,
&end
#
# 6 PHE H 38 ILE QD1 5.17 (#peak 97 #SUP 0.84 #QF 0.84)
&rst
ixpk= 97, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 617, 618, 619,
&end
#
# 13 PHE QD 108 ILE QD1 4.67 (#peak 99 #SUP 0.94 #QF 0.94)
&rst
ixpk= 99, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 182, 190,
igr2=1771,1772,1773,
&end
#
# 31 ILE QD1 38 ILE QD1 4.07 (#peak 101 #SUP 0.95 #QF 0.95)
&rst
ixpk= 101, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 502, 503, 504,
igr2= 617, 618, 619,
&end
#
# 107 GLU H 108 ILE QD1 4.89 (#peak 104 #SUP 0.63 #QF 0.63)
&rst
ixpk= 104, nxpk= 0, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1771,1772,1773,
&end
#
# 92 ILE HA 92 ILE QD1 3.82 (#peak 107 #SUP 0.98 #QF 0.98)
&rst
ixpk= 107, nxpk= 0, iat=1488, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1499,1500,1501,
&end
#
# 81 PHE H 121 ILE QD1 5.05 (#peak 109 #SUP 0.91 #QF 0.91)
&rst
ixpk= 109, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=2008,2009,2010,
&end
#
# 121 ILE QD1 138 VAL H 4.62 (#peak 110 #SUP 0.94 #QF 0.94)
&rst
ixpk= 110, nxpk= 0, iat= -1,2250, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=2008,2009,2010,
&end
#
# 120 LYS HA 121 ILE QD1 5.50 (#peak 112 #SUP 0.87 #QF 0.59)
&rst
ixpk= 112, nxpk= 0, iat=1975, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2008,2009,2010,
&end
#
# 121 ILE QD1 137 GLU HA 4.99 (#peak 113 #SUP 0.99 #QF 0.99)
&rst
ixpk= 113, nxpk= 0, iat= -1,2237, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2008,2009,2010,
&end
#
# 65 PHE HB2 82 ILE QD1 3.67 (#peak 114 #SUP 0.90 #QF 0.90)
&rst
ixpk= 114, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1353,1354,1355,
&end
#
# 63 HIS HB3 82 ILE QD1 4.06 (#peak 115 #SUP 0.98 #QF 0.98)
&rst
ixpk= 115, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1353,1354,1355,
&end
#
# 65 PHE HB3 82 ILE QD1 3.89 (#peak 116 #SUP 0.96 #QF 0.96)
&rst
ixpk= 116, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1353,1354,1355,
&end
#
# 51 LEU QD1 82 ILE QD1 3.32 (#peak 117 #SUP 0.88 #QF 0.88)
&rst
ixpk= 117, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 821, 822, 823,
igr2=1353,1354,1355,
&end
#
# 63 HIS HA 82 ILE QD1 5.47 (#peak 120 #SUP 0.92 #QF 0.92)
&rst
ixpk= 120, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=1353,1354,1355,
&end
#
# 65 PHE QD 82 ILE QD1 3.98 (#peak 121 #SUP 0.97 #QF 0.97)
&rst
ixpk= 121, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1069,1077,
igr2=1353,1354,1355,
&end
#
# 66 LEU H 82 ILE QD1 5.50 (#peak 122 #SUP 0.90 #QF 0.40)
&rst
ixpk= 122, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1353,1354,1355,
&end
#
# 81 PHE H 82 ILE QD1 5.50 (#peak 122 #SUP 0.90 #QF 0.40)
&rst
ixpk= 122, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1353,1354,1355,
&end
#
# 82 ILE H 82 ILE QD1 3.88 (#peak 123 #SUP 0.89 #QF 0.89)
&rst
ixpk= 123, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1353,1354,1355,
&end
#
# 65 PHE H 82 ILE QD1 4.35 (#peak 124 #SUP 0.98 #QF 0.98)
&rst
ixpk= 124, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1353,1354,1355,
&end
#
# 123 ILE QD1 126 GLY HA2 3.73 (#peak 125 #SUP 0.80 #QF 0.80)
&rst
ixpk= 125, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=2042,2043,2044,
&end
#
# 123 ILE QD1 126 GLY HA3 3.73 (#peak 126 #SUP 0.96 #QF 0.96)
&rst
ixpk= 126, nxpk= 0, iat= -1,2077, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=2042,2043,2044,
&end
#
# 55 ILE HB 123 ILE QD1 3.94 (#peak 129 #SUP 0.72 #QF 0.72)
&rst
ixpk= 129, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=2042,2043,2044,
&end
#
# 123 ILE HB 123 ILE QD1 3.31 (#peak 130 #SUP 0.89 #QF 0.89)
&rst
ixpk= 130, nxpk= 0, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=2042,2043,2044,
&end
#
# 55 ILE QD1 123 ILE QD1 3.61 (#peak 134 #SUP 0.82 #QF 0.82)
&rst
ixpk= 134, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 904, 905, 906,
igr2=2042,2043,2044,
&end
#
# 122 GLU HA 123 ILE QD1 4.91 (#peak 136 #SUP 0.96 #QF 0.96)
&rst
ixpk= 136, nxpk= 0, iat=2016, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2042,2043,2044,
&end
#
# 55 ILE H 123 ILE QD1 5.50 (#peak 137 #SUP 0.83 #QF 0.83)
&rst
ixpk= 137, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2042,2043,2044,
&end
#
# 123 ILE QD1 129 LEU H 5.29 (#peak 139 #SUP 0.86 #QF 0.86)
&rst
ixpk= 139, nxpk= 0, iat= -1,2108, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=2042,2043,2044,
&end
#
# 123 ILE QD1 125 ASN H 4.10 (#peak 140 #SUP 1.00)
&rst
ixpk= 140, nxpk= 0, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=2042,2043,2044,
&end
#
# 123 ILE QD1 128 GLU H 5.09 (#peak 141 #SUP 0.90 #QF 0.90)
&rst
ixpk= 141, nxpk= 0, iat= -1,2093, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2042,2043,2044,
&end
#
# 123 ILE QD1 127 ASP H 4.92 (#peak 143 #SUP 0.99 #QF 0.99)
&rst
ixpk= 143, nxpk= 0, iat= -1,2081, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=2042,2043,2044,
&end
#
# 123 ILE H 123 ILE QD1 4.04 (#peak 144 #SUP 1.00)
&rst
ixpk= 144, nxpk= 0, iat=2029, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2042,2043,2044,
&end
#
# 123 ILE QD1 124 ASP H 4.33 (#peak 145 #SUP 0.99 #QF 0.99)
&rst
ixpk= 145, nxpk= 0, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=2042,2043,2044,
&end
#
# 84 SER H 123 ILE QD1 4.94 (#peak 147 #SUP 0.69 #QF 0.69)
&rst
ixpk= 147, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2042,2043,2044,
&end
#
# 8 ILE QD1 13 PHE HA 3.79 (#peak 149 #SUP 0.94 #QF 0.94)
&rst
ixpk= 149, nxpk= 0, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 111, 112, 113,
&end
#
# 8 ILE QD1 12 ALA HA 5.01 (#peak 150 #SUP 0.98 #QF 0.97)
&rst
ixpk= 150, nxpk= 0, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 111, 112, 113,
&end
#
# 8 ILE QD1 105 LEU HA 5.32 (#peak 150 #SUP 0.98 #QF 0.97)
&rst
ixpk= 150, nxpk= 0, iat= -1,1707, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 111, 112, 113,
&end
#
# 8 ILE QD1 13 PHE HB3 4.37 (#peak 152 #SUP 0.96 #QF 0.96)
&rst
ixpk= 152, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 111, 112, 113,
&end
#
# 8 ILE QD1 13 PHE HB2 3.98 (#peak 153 #SUP 0.97 #QF 0.97)
&rst
ixpk= 153, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 111, 112, 113,
&end
#
# 8 ILE HB 8 ILE QD1 3.18 (#peak 155 #SUP 0.97 #QF 0.73)
&rst
ixpk= 155, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 111, 112, 113,
&end
#
# 8 ILE QD1 12 ALA QB 3.38 (#peak 156 #SUP 0.66 #QF 0.66)
&rst
ixpk= 156, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 111, 112, 113,
igr2= 168, 169, 170,
&end
#
# 8 ILE QD1 13 PHE QD 3.69 (#peak 157 #SUP 0.98 #QF 0.98)
&rst
ixpk= 157, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 111, 112, 113,
igr2= 182, 190,
&end
#
# 8 ILE QD1 16 LEU H 5.30 (#peak 158 #SUP 0.69 #QF 0.69)
&rst
ixpk= 158, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 111, 112, 113,
&end
#
# 8 ILE QD1 13 PHE H 4.26 (#peak 160 #SUP 1.00)
&rst
ixpk= 160, nxpk= 0, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 111, 112, 113,
&end
#
# 8 ILE QD1 9 SER H 4.45 (#peak 161 #SUP 0.92 #QF 0.92)
&rst
ixpk= 161, nxpk= 0, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 111, 112, 113,
&end
#
# 55 ILE QG2 84 SER HB3 3.91 (#peak 162 #SUP 0.92 #QF 0.92)
&rst
ixpk= 162, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 897, 898, 899,
&end
#
# 55 ILE QG2 126 GLY HA3 3.84 (#peak 163 #SUP 0.67 #QF 0.67)
&rst
ixpk= 163, nxpk= 0, iat= -1,2077, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 897, 898, 899,
&end
#
# 55 ILE QG2 126 GLY HA2 3.84 (#peak 164 #SUP 0.79 #QF 0.79)
&rst
ixpk= 164, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 897, 898, 899,
&end
#
# 55 ILE HA 55 ILE QG2 3.60 (#peak 165 #SUP 0.99 #QF 0.99)
&rst
ixpk= 165, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 897, 898, 899,
&end
#
# 55 ILE QG2 55 ILE QD1 3.21 (#peak 169 #SUP 1.00)
&rst
ixpk= 169, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 897, 898, 899,
igr2= 904, 905, 906,
&end
#
# 108 ILE QG2 112 GLN QB 3.29 (#peak 170 #SUP 0.97 #QF 0.97)
&rst
ixpk= 170, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1764,1765,1766,
igr2=1836,1837,
&end
#
# 108 ILE HA 108 ILE QG2 3.17 (#peak 173 #SUP 0.98 #QF 0.98)
&rst
ixpk= 173, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1764,1765,1766,
&end
#
# 108 ILE QG2 109 VAL HA 3.86 (#peak 175 #SUP 0.95 #QF 0.95)
&rst
ixpk= 175, nxpk= 0, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1764,1765,1766,
&end
#
# 105 LEU HA 108 ILE QG2 4.36 (#peak 176 #SUP 0.73 #QF 0.73)
&rst
ixpk= 176, nxpk= 0, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1764,1765,1766,
&end
#
# 13 PHE HZ 108 ILE QG2 3.90 (#peak 177 #SUP 0.89 #QF 0.89)
&rst
ixpk= 177, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1764,1765,1766,
&end
#
# 108 ILE H 108 ILE QG2 3.80 (#peak 178 #SUP 0.92 #QF 0.92)
&rst
ixpk= 178, nxpk= 0, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1764,1765,1766,
&end
#
# 108 ILE QG2 109 VAL H 3.89 (#peak 179 #SUP 0.95 #QF 0.95)
&rst
ixpk= 179, nxpk= 0, iat= -1,1777, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1764,1765,1766,
&end
#
# 8 ILE QG2 13 PHE H 3.76 (#peak 181 #SUP 0.80 #QF 0.80)
&rst
ixpk= 181, nxpk= 0, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 104, 105, 106,
&end
#
# 8 ILE QG2 9 SER H 3.65 (#peak 184 #SUP 0.80 #QF 0.80)
&rst
ixpk= 184, nxpk= 0, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 104, 105, 106,
&end
#
# 8 ILE QG2 13 PHE QD 3.42 (#peak 185 #SUP 0.83 #QF 0.83)
&rst
ixpk= 185, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 104, 105, 106,
igr2= 182, 190,
&end
#
# 33 ILE QG2 36 GLU H 4.05 (#peak 186 #SUP 0.78 #QF 0.78)
&rst
ixpk= 186, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 526, 527, 528,
&end
#
# 92 ILE QG2 93 ARG H 3.92 (#peak 187 #SUP 0.85 #QF 0.85)
&rst
ixpk= 187, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1492,1493,1494,
&end
#
# 118 ILE QG2 138 VAL H 5.08 (#peak 188 #SUP 0.83 #QF 0.83)
&rst
ixpk= 188, nxpk= 0, iat= -1,2250, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1936,1937,1938,
&end
#
# 92 ILE QG2 96 MET H 4.95 (#peak 190 #SUP 0.79 #QF 0.79)
&rst
ixpk= 190, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1492,1493,1494,
&end
#
# 92 ILE HA 92 ILE QG2 3.15 (#peak 192 #SUP 0.98 #QF 0.98)
&rst
ixpk= 192, nxpk= 0, iat=1488, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1492,1493,1494,
&end
#
# 118 ILE QG2 118 ILE HG12 3.66 (#peak 195 #SUP 0.63 #QF 0.45)
&rst
ixpk= 195, nxpk= 0, iat= -1,1940, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1936,1937,1938,
&end
#
# 118 ILE QG2 138 VAL HB 3.70 (#peak 195 #SUP 0.63 #QF 0.45)
&rst
ixpk= 195, nxpk= 0, iat= -1,2254, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1936,1937,1938,
&end
#
# 8 ILE QG2 13 PHE HB2 3.40 (#peak 198 #SUP 0.77 #QF 0.77)
&rst
ixpk= 198, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 104, 105, 106,
&end
#
# 8 ILE QG2 13 PHE HB3 3.46 (#peak 199 #SUP 0.54 #QF 0.54)
&rst
ixpk= 199, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 104, 105, 106,
&end
#
# 33 ILE HA 33 ILE QG2 3.15 (#peak 200 #SUP 0.93 #QF 0.93)
&rst
ixpk= 200, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 526, 527, 528,
&end
#
# 33 ILE QG2 34 LYS HA 3.88 (#peak 201 #SUP 0.83 #QF 0.83)
&rst
ixpk= 201, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 526, 527, 528,
&end
#
# 8 ILE HA 8 ILE QG2 3.27 (#peak 202 #SUP 0.85 #QF 0.85)
&rst
ixpk= 202, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 104, 105, 106,
&end
#
# 31 ILE HA 31 ILE QG2 3.63 (#peak 203 #SUP 0.98 #QF 0.98)
&rst
ixpk= 203, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 495, 496, 497,
&end
#
# 31 ILE QG2 97 LEU HB3 3.65 (#peak 206 #SUP 0.49 #QF 0.49)
&rst
ixpk= 206, nxpk= 0, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 495, 496, 497,
&end
#
# 31 ILE QG2 31 ILE HG12 2.88 (#peak 209 #SUP 0.84 #QF 0.84)
&rst
ixpk= 209, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 495, 496, 497,
&end
#
# 31 ILE QG2 33 ILE H 4.26 (#peak 213 #SUP 0.98 #QF 0.98)
&rst
ixpk= 213, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 495, 496, 497,
&end
#
# 31 ILE QG2 37 THR H 5.36 (#peak 214 #SUP 0.93 #QF 0.93)
&rst
ixpk= 214, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 495, 496, 497,
&end
#
# 121 ILE QG2 122 GLU H 3.30 (#peak 216 #SUP 0.97 #QF 0.97)
&rst
ixpk= 216, nxpk= 0, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2001,2002,2003,
&end
#
# 121 ILE H 121 ILE QG2 4.03 (#peak 217 #SUP 0.94 #QF 0.94)
&rst
ixpk= 217, nxpk= 0, iat=1995, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=2001,2002,2003,
&end
#
# 121 ILE HA 121 ILE QG2 3.27 (#peak 218 #SUP 1.00)
&rst
ixpk= 218, nxpk= 0, iat=1997, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2001,2002,2003,
&end
#
# 121 ILE QG2 123 ILE H 4.62 (#peak 219 #SUP 0.99 #QF 0.99)
&rst
ixpk= 219, nxpk= 0, iat= -1,2029, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=2001,2002,2003,
&end
#
# 121 ILE QG2 122 GLU HA 4.20 (#peak 220 #SUP 0.85 #QF 0.85)
&rst
ixpk= 220, nxpk= 0, iat= -1,2016, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2001,2002,2003,
&end
#
# 121 ILE QG2 134 LEU HA 4.37 (#peak 221 #SUP 0.44 #QF 0.44)
&rst
ixpk= 221, nxpk= 0, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=2001,2002,2003,
&end
#
# 121 ILE QG2 133 PHE HB3 4.93 (#peak 222 #SUP 0.40 #QF 0.40)
&rst
ixpk= 222, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=2001,2002,2003,
&end
#
# 121 ILE QG2 122 GLU HG3 4.89 (#peak 224 #SUP 0.92 #QF 0.92)
&rst
ixpk= 224, nxpk= 0, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=2001,2002,2003,
&end
#
# 121 ILE QG2 121 ILE HG13 3.36 (#peak 227 #SUP 0.97 #QF 0.97)
&rst
ixpk= 227, nxpk= 0, iat= -1,2006, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2001,2002,2003,
&end
#
# 121 ILE QG2 121 ILE QD1 2.69 (#peak 228 #SUP 0.61 #QF 0.61)
&rst
ixpk= 228, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=2001,2002,2003,
igr2=2008,2009,2010,
&end
#
# 55 ILE QG2 63 HIS HE1 3.76 (#peak 229 #SUP 0.98 #QF 0.98)
&rst
ixpk= 229, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 897, 898, 899,
&end
#
# 8 ILE QG2 13 PHE HA 4.19 (#peak 232 #SUP 0.67 #QF 0.67)
&rst
ixpk= 232, nxpk= 0, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 104, 105, 106,
&end
#
# 118 ILE HA 118 ILE QG2 3.18 (#peak 233 #SUP 0.98 #QF 0.98)
&rst
ixpk= 233, nxpk= 0, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1936,1937,1938,
&end
#
# 32 ASP HB2 39 ILE QG2 3.53 (#peak 235 #SUP 0.93 #QF 0.93)
&rst
ixpk= 235, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 629, 630, 631,
&end
#
# 32 ASP HB3 39 ILE QG2 3.64 (#peak 236 #SUP 0.96 #QF 0.96)
&rst
ixpk= 236, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 629, 630, 631,
&end
#
# 39 ILE HA 39 ILE QG2 3.26 (#peak 238 #SUP 0.99 #QF 0.99)
&rst
ixpk= 238, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 629, 630, 631,
&end
#
# 80 VAL HA 118 ILE QG2 4.25 (#peak 239 #SUP 0.36 #QF 0.36)
&rst
ixpk= 239, nxpk= 0, iat=1306, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1936,1937,1938,
&end
#
# 29 LEU HB3 38 ILE QG2 3.07 (#peak 241 #SUP 0.98 #QF 0.72)
&rst
ixpk= 241, nxpk= 0, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 610, 611, 612,
&end
#
# 38 ILE QG2 62 TYR QD 3.86 (#peak 244 #SUP 0.95 #QF 0.95)
&rst
ixpk= 244, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 610, 611, 612,
igr2=1011,1020,
&end
#
# 29 LEU HA 38 ILE QG2 4.16 (#peak 245 #SUP 0.95 #QF 0.95)
&rst
ixpk= 245, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 610, 611, 612,
&end
#
# 38 ILE QG2 62 TYR QE 4.43 (#peak 246 #SUP 0.98 #QF 0.98)
&rst
ixpk= 246, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 610, 611, 612,
igr2=1013,1018,
&end
#
# 38 ILE QG2 98 TYR QD 5.50 (#peak 248 #SUP 0.52 #QF 0.52)
&rst
ixpk= 248, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 610, 611, 612,
igr2=1612,1621,
&end
#
# 9 SER H 38 ILE QG2 4.81 (#peak 251 #SUP 0.99 #QF 0.41)
&rst
ixpk= 251, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 610, 611, 612,
&end
#
# 32 ASP H 39 ILE QG2 5.50 (#peak 251 #SUP 0.99 #QF 0.41)
&rst
ixpk= 251, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 629, 630, 631,
&end
#
# 39 ILE QG2 40 LEU H 3.67 (#peak 252 #SUP 0.93 #QF 0.93)
&rst
ixpk= 252, nxpk= 0, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 629, 630, 631,
&end
#
# 9 SER H 12 ALA QB 3.75 (#peak 253 #SUP 0.99 #QF 0.99)
&rst
ixpk= 253, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 168, 169, 170,
&end
#
# 12 ALA QB 13 PHE QD 5.14 (#peak 257 #SUP 0.87 #QF 0.87)
&rst
ixpk= 257, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 168, 169, 170,
igr2= 182, 190,
&end
#
# 12 ALA QB 29 LEU HA 4.79 (#peak 259 #SUP 0.97 #QF 0.97)
&rst
ixpk= 259, nxpk= 0, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 168, 169, 170,
&end
#
# 12 ALA QB 39 ILE HA 3.89 (#peak 260 #SUP 0.97 #QF 0.97)
&rst
ixpk= 260, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 168, 169, 170,
&end
#
# 8 ILE HA 12 ALA QB 4.45 (#peak 261 #SUP 0.87 #QF 0.87)
&rst
ixpk= 261, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 168, 169, 170,
&end
#
# 12 ALA QB 40 LEU HA 3.75 (#peak 262 #SUP 0.99 #QF 0.99)
&rst
ixpk= 262, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 168, 169, 170,
&end
#
# 12 ALA QB 39 ILE H 5.19 (#peak 263 #SUP 0.96 #QF 0.96)
&rst
ixpk= 263, nxpk= 0, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 168, 169, 170,
&end
#
# 12 ALA QB 13 PHE HB3 4.73 (#peak 266 #SUP 0.98 #QF 0.98)
&rst
ixpk= 266, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 168, 169, 170,
&end
#
# 12 ALA QB 13 PHE HB2 4.30 (#peak 267 #SUP 1.00)
&rst
ixpk= 267, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 168, 169, 170,
&end
#
# 11 ASP QB 12 ALA QB 4.23 (#peak 268 #SUP 1.00)
&rst
ixpk= 268, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 156, 157,
igr2= 168, 169, 170,
&end
#
# 131 ALA QB 135 TYR HB2 4.67 (#peak 277 #SUP 0.36 #QF 0.36)
&rst
ixpk= 277, nxpk= 0, iat= -1,2206, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2145,2146,2147,
&end
#
# 48 LEU QB 131 ALA QB 4.16 (#peak 278 #SUP 0.92 #QF 0.92)
&rst
ixpk= 278, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 761, 762,
igr2=2145,2146,2147,
&end
#
# 131 ALA H 131 ALA QB 3.00 (#peak 283 #SUP 0.99 #QF 0.99)
&rst
ixpk= 283, nxpk= 0, iat=2141, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2145,2146,2147,
&end
#
# 15 ALA QB 18 LYS H 4.85 (#peak 285 #SUP 0.80 #QF 0.80)
&rst
ixpk= 285, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 215, 216, 217,
&end
#
# 15 ALA QB 19 LEU H 5.50 (#peak 286 #SUP 0.95 #QF 0.88)
&rst
ixpk= 286, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 215, 216, 217,
&end
#
# 14 GLN H 15 ALA QB 4.40 (#peak 287 #SUP 1.00)
&rst
ixpk= 287, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 215, 216, 217,
&end
#
# 15 ALA QB 28 GLN H 4.69 (#peak 288 #SUP 0.91 #QF 0.91)
&rst
ixpk= 288, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 215, 216, 217,
&end
#
# 15 ALA QB 43 THR HA 5.00 (#peak 289 #SUP 0.95 #QF 0.95)
&rst
ixpk= 289, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 215, 216, 217,
&end
#
# 15 ALA QB 43 THR HB 4.40 (#peak 290 #SUP 0.88 #QF 0.88)
&rst
ixpk= 290, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 215, 216, 217,
&end
#
# 15 ALA QB 16 LEU HA 4.03 (#peak 293 #SUP 0.63 #QF 0.63)
&rst
ixpk= 293, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 215, 216, 217,
&end
#
# 5 ALA QB 104 PRO HB2 4.17 (#peak 297 #SUP 0.91 #QF 0.91)
&rst
ixpk= 297, nxpk= 0, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 58, 59, 60,
&end
#
# 60 ALA QB 85 MET QG 3.87 (#peak 303 #SUP 0.84 #QF 0.84)
&rst
ixpk= 303, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 973, 974, 975,
igr2=1398,1399,
&end
#
# 60 ALA QB 86 PRO HD3 4.40 (#peak 304 #SUP 0.74 #QF 0.74)
&rst
ixpk= 304, nxpk= 0, iat= -1,1410, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 973, 974, 975,
&end
#
# 4 VAL HA 5 ALA QB 3.98 (#peak 308 #SUP 0.93 #QF 0.93)
&rst
ixpk= 308, nxpk= 0, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 58, 59, 60,
&end
#
# 5 ALA QB 104 PRO QD 4.26 (#peak 309 #SUP 0.65 #QF 0.65)
&rst
ixpk= 309, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 58, 59, 60,
igr2=1692,1693,
&end
#
# 5 ALA QB 6 PHE QB 4.79 (#peak 310 #SUP 0.72 #QF 0.72)
&rst
ixpk= 310, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 58, 59, 60,
igr2= 68, 69,
&end
#
# 60 ALA QB 95 ARG HA 4.35 (#peak 312 #SUP 0.72 #QF 0.72)
&rst
ixpk= 312, nxpk= 0, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 973, 974, 975,
&end
#
# 60 ALA QB 98 TYR QE 4.05 (#peak 315 #SUP 0.93 #QF 0.93)
&rst
ixpk= 315, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 973, 974, 975,
igr2=1614,1619,
&end
#
# 59 SER QB 60 ALA QB 4.48 (#peak 317 #SUP 1.00)
&rst
ixpk= 317, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 962, 963,
igr2= 973, 974, 975,
&end
#
# 5 ALA QB 6 PHE H 3.54 (#peak 318 #SUP 0.98 #QF 0.98)
&rst
ixpk= 318, nxpk= 0, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 58, 59, 60,
&end
#
# 5 ALA H 5 ALA QB 3.15 (#peak 319 #SUP 0.98 #QF 0.98)
&rst
ixpk= 319, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 58, 59, 60,
&end
#
# 60 ALA H 60 ALA QB 3.16 (#peak 320 #SUP 0.90 #QF 0.90)
&rst
ixpk= 320, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 973, 974, 975,
&end
#
# 60 ALA QB 62 TYR QD 5.50 (#peak 323 #SUP 0.62 #QF 0.62)
&rst
ixpk= 323, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 973, 974, 975,
igr2=1011,1020,
&end
#
# 30 GLU H 38 ILE QG2 4.02 (#peak 324 #SUP 0.89 #QF 0.89)
&rst
ixpk= 324, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 610, 611, 612,
&end
#
# 123 ILE QG2 124 ASP H 3.90 (#peak 325 #SUP 0.99 #QF 0.99)
&rst
ixpk= 325, nxpk= 0, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=2035,2036,2037,
&end
#
# 123 ILE H 123 ILE QG2 3.87 (#peak 326 #SUP 1.00)
&rst
ixpk= 326, nxpk= 0, iat=2029, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2035,2036,2037,
&end
#
# 123 ILE QG2 125 ASN H 4.46 (#peak 328 #SUP 0.99 #QF 0.99)
&rst
ixpk= 328, nxpk= 0, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=2035,2036,2037,
&end
#
# 122 GLU HA 123 ILE QG2 4.56 (#peak 330 #SUP 0.99 #QF 0.99)
&rst
ixpk= 330, nxpk= 0, iat=2016, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2035,2036,2037,
&end
#
# 123 ILE HA 123 ILE QG2 3.27 (#peak 331 #SUP 0.99 #QF 0.99)
&rst
ixpk= 331, nxpk= 0, iat=2031, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2035,2036,2037,
&end
#
# 123 ILE QG2 129 LEU HA 4.86 (#peak 332 #SUP 0.85 #QF 0.85)
&rst
ixpk= 332, nxpk= 0, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=2035,2036,2037,
&end
#
# 123 ILE QG2 126 GLY HA2 4.82 (#peak 333 #SUP 0.89 #QF 0.89)
&rst
ixpk= 333, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=2035,2036,2037,
&end
#
# 123 ILE QG2 126 GLY HA3 4.82 (#peak 334 #SUP 0.81 #QF 0.81)
&rst
ixpk= 334, nxpk= 0, iat= -1,2077, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=2035,2036,2037,
&end
#
# 123 ILE QG2 127 ASP QB 5.50 (#peak 337 #SUP 0.75 #QF 0.75)
&rst
ixpk= 337, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2035,2036,2037,
igr2=2085,2086,
&end
#
# 122 GLU QB 123 ILE QG2 4.75 (#peak 339 #SUP 0.92 #QF 0.92)
&rst
ixpk= 339, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=2018,2019,
igr2=2035,2036,2037,
&end
#
# 55 ILE QD1 82 ILE QG2 3.95 (#peak 343 #SUP 0.85 #QF 0.85)
&rst
ixpk= 343, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 904, 905, 906,
igr2=1346,1347,1348,
&end
#
# 82 ILE QG2 129 LEU HG 4.01 (#peak 345 #SUP 0.56 #QF 0.56)
&rst
ixpk= 345, nxpk= 0, iat= -1,2115, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1346,1347,1348,
&end
#
# 82 ILE QG2 121 ILE HB 4.52 (#peak 346 #SUP 0.94 #QF 0.92)
&rst
ixpk= 346, nxpk= 0, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1346,1347,1348,
&end
#
# 63 HIS HB3 82 ILE QG2 4.31 (#peak 349 #SUP 0.98 #QF 0.98)
&rst
ixpk= 349, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1346,1347,1348,
&end
#
# 82 ILE HA 82 ILE QG2 3.64 (#peak 350 #SUP 1.00)
&rst
ixpk= 350, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1346,1347,1348,
&end
#
# 82 ILE QG2 83 TYR H 3.47 (#peak 354 #SUP 0.94 #QF 0.94)
&rst
ixpk= 354, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1346,1347,1348,
&end
#
# 63 HIS HE1 82 ILE QG2 5.50 (#peak 356 #SUP 0.99 #QF 0.99)
&rst
ixpk= 356, nxpk= 0, iat=1034, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1346,1347,1348,
&end
#
# 82 ILE QG2 129 LEU HA 5.50 (#peak 357 #SUP 0.65 #QF 0.65)
&rst
ixpk= 357, nxpk= 0, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1346,1347,1348,
&end
#
# 118 ILE QG2 119 ARG H 3.52 (#peak 359 #SUP 0.98 #QF 0.98)
&rst
ixpk= 359, nxpk= 0, iat= -1,1949, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1936,1937,1938,
&end
#
# 92 ILE QG2 92 ILE HG13 3.22 (#peak 360 #SUP 0.77 #QF 0.77)
&rst
ixpk= 360, nxpk= 0, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1=1492,1493,1494,
&end
#
# 4 VAL QG2 6 PHE QE 4.32 (#peak 362 #SUP 0.50 #QF 0.50)
&rst
ixpk= 362, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 48, 49, 50,
igr2= 74, 78,
&end
#
# 4 VAL QG2 5 ALA H 4.35 (#peak 363 #SUP 0.67 #QF 0.67)
&rst
ixpk= 363, nxpk= 0, iat= -1, 54, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 48, 49, 50,
&end
#
# 46 THR QG2 51 LEU H 3.40 (#peak 364 #SUP 0.55 #QF 0.55)
&rst
ixpk= 364, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 734, 735, 736,
&end
#
# 46 THR QG2 54 ARG H 4.73 (#peak 368 #SUP 0.99 #QF 0.99)
&rst
ixpk= 368, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 734, 735, 736,
&end
#
# 46 THR QG2 55 ILE H 5.48 (#peak 369 #SUP 1.00)
&rst
ixpk= 369, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 734, 735, 736,
&end
#
# 26 TYR HA 46 THR QG2 4.98 (#peak 371 #SUP 0.94 #QF 0.94)
&rst
ixpk= 371, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 734, 735, 736,
&end
#
# 46 THR QG2 47 GLU HA 4.31 (#peak 373 #SUP 0.99 #QF 0.99)
&rst
ixpk= 373, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 734, 735, 736,
&end
#
# 46 THR QG2 51 LEU HA 3.38 (#peak 376 #SUP 0.96 #QF 0.96)
&rst
ixpk= 376, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 734, 735, 736,
&end
#
# 46 THR QG2 50 ASP QB 3.30 (#peak 377 #SUP 0.88 #QF 0.88)
&rst
ixpk= 377, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 734, 735, 736,
igr2= 804, 805,
&end
#
# 26 TYR HB3 46 THR QG2 4.77 (#peak 379 #SUP 0.66 #QF 0.66)
&rst
ixpk= 379, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 734, 735, 736,
&end
#
# 46 THR QG2 47 GLU HG3 5.50 (#peak 380 #SUP 0.59 #QF 0.59)
&rst
ixpk= 380, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 734, 735, 736,
&end
#
# 46 THR QG2 54 ARG HB2 4.08 (#peak 381 #SUP 0.60 #QF 0.60)
&rst
ixpk= 381, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 734, 735, 736,
&end
#
# 46 THR QG2 51 LEU QD2 4.59 (#peak 385 #SUP 0.94 #QF 0.94)
&rst
ixpk= 385, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 734, 735, 736,
igr2= 825, 826, 827,
&end
#
# 46 THR QG2 51 LEU QD1 4.59 (#peak 386 #SUP 1.00)
&rst
ixpk= 386, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 734, 735, 736,
igr2= 821, 822, 823,
&end
#
# 46 THR QG2 54 ARG HG2 3.64 (#peak 388 #SUP 0.84 #QF 0.84)
&rst
ixpk= 388, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 734, 735, 736,
&end
#
# 4 VAL QG2 5 ALA HA 4.81 (#peak 389 #SUP 0.61 #QF 0.50)
&rst
ixpk= 389, nxpk= 0, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 48, 49, 50,
&end
#
# 80 VAL HA 80 VAL QG1 3.26 (#peak 392 #SUP 0.64 #QF 0.64)
&rst
ixpk= 392, nxpk= 0, iat=1306, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1310,1311,1312,
&end
#
# 67 TYR HB2 80 VAL QG1 4.16 (#peak 394 #SUP 0.63 #QF 0.63)
&rst
ixpk= 394, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1310,1311,1312,
&end
#
# 65 PHE HB3 80 VAL QG1 4.74 (#peak 396 #SUP 0.91 #QF 0.57)
&rst
ixpk= 396, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1310,1311,1312,
&end
#
# 117 VAL HA 117 VAL QG2 3.30 (#peak 404 #SUP 0.96 #QF 0.96)
&rst
ixpk= 404, nxpk= 0, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1924,1925,1926,
&end
#
# 80 VAL HA 80 VAL QG2 3.26 (#peak 406 #SUP 0.99 #QF 0.99)
&rst
ixpk= 406, nxpk= 0, iat=1306, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1314,1315,1316,
&end
#
# 65 PHE HB3 80 VAL QG2 4.74 (#peak 407 #SUP 0.98 #QF 0.21)
&rst
ixpk= 407, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1314,1315,1316,
&end
#
# 67 TYR QD 80 VAL QG1 4.89 (#peak 414 #SUP 0.43 #QF 0.43)
&rst
ixpk= 414, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1108,1117,
igr2=1310,1311,1312,
&end
#
# 80 VAL H 80 VAL QG1 4.06 (#peak 418 #SUP 0.95 #QF 0.95)
&rst
ixpk= 418, nxpk= 0, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1310,1311,1312,
&end
#
# 65 PHE H 80 VAL QG1 5.16 (#peak 419 #SUP 0.99 #QF 0.94)
&rst
ixpk= 419, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1310,1311,1312,
&end
#
# 117 VAL QG2 118 ILE H 4.17 (#peak 423 #SUP 0.70 #QF 0.70)
&rst
ixpk= 423, nxpk= 0, iat= -1,1930, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1924,1925,1926,
&end
#
# 36 GLU H 37 THR QG2 4.24 (#peak 424 #SUP 0.53 #QF 0.53)
&rst
ixpk= 424, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 596, 597, 598,
&end
#
# 67 TYR HB2 80 VAL QG2 4.16 (#peak 425 #SUP 0.58 #QF 0.58)
&rst
ixpk= 425, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1314,1315,1316,
&end
#
# 4 VAL QG1 6 PHE QE 4.32 (#peak 436 #SUP 0.43 #QF 0.43)
&rst
ixpk= 436, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 44, 45, 46,
igr2= 74, 78,
&end
#
# 4 VAL QG1 5 ALA H 4.35 (#peak 437 #SUP 0.78 #QF 0.78)
&rst
ixpk= 437, nxpk= 0, iat= -1, 54, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 44, 45, 46,
&end
#
# 4 VAL H 4 VAL QG1 4.39 (#peak 438 #SUP 0.63 #QF 0.63)
&rst
ixpk= 438, nxpk= 0, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 44, 45, 46,
&end
#
# 65 PHE H 80 VAL QG2 5.16 (#peak 441 #SUP 0.99 #QF 0.95)
&rst
ixpk= 441, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1314,1315,1316,
&end
#
# 80 VAL H 80 VAL QG2 4.06 (#peak 442 #SUP 0.95 #QF 0.95)
&rst
ixpk= 442, nxpk= 0, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1314,1315,1316,
&end
#
# 67 TYR QD 80 VAL QG2 4.89 (#peak 444 #SUP 0.75 #QF 0.75)
&rst
ixpk= 444, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1108,1117,
igr2=1314,1315,1316,
&end
#
# 27 VAL H 27 VAL QG2 4.11 (#peak 447 #SUP 0.94 #QF 0.94)
&rst
ixpk= 447, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 432, 433, 434,
&end
#
# 27 VAL QG2 43 THR HA 4.97 (#peak 450 #SUP 0.98 #QF 0.75)
&rst
ixpk= 450, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 432, 433, 434,
&end
#
# 16 LEU HA 27 VAL QG2 4.48 (#peak 458 #SUP 0.97 #QF 0.97)
&rst
ixpk= 458, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 432, 433, 434,
&end
#
# 58 ASP HA 89 THR QG2 3.65 (#peak 461 #SUP 0.78 #QF 0.60)
&rst
ixpk= 461, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1456,1457,1458,
&end
#
# 88 TYR QB 89 THR QG2 4.42 (#peak 463 #SUP 0.98 #QF 0.98)
&rst
ixpk= 463, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1433,1434,
igr2=1456,1457,1458,
&end
#
# 86 PRO HB2 89 THR QG2 3.71 (#peak 466 #SUP 0.91 #QF 0.91)
&rst
ixpk= 466, nxpk= 0, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1456,1457,1458,
&end
#
# 128 GLU HA 130 THR QG2 3.94 (#peak 467 #SUP 0.82 #QF 0.82)
&rst
ixpk= 467, nxpk= 0, iat=2095, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=2133,2134,2135,
&end
#
# 129 LEU HA 130 THR QG2 3.94 (#peak 468 #SUP 0.76 #QF 0.76)
&rst
ixpk= 468, nxpk= 0, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=2133,2134,2135,
&end
#
# 130 THR HA 130 THR QG2 3.25 (#peak 469 #SUP 0.98 #QF 0.98)
&rst
ixpk= 469, nxpk= 0, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=2133,2134,2135,
&end
#
# 130 THR QG2 133 PHE HB2 4.25 (#peak 471 #SUP 0.97 #QF 0.97)
&rst
ixpk= 471, nxpk= 0, iat= -1,2167, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=2133,2134,2135,
&end
#
# 130 THR QG2 133 PHE HB3 4.23 (#peak 472 #SUP 0.97 #QF 0.97)
&rst
ixpk= 472, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=2133,2134,2135,
&end
#
# 130 THR QG2 132 ASP HB3 4.78 (#peak 473 #SUP 0.85 #QF 0.85)
&rst
ixpk= 473, nxpk= 0, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=2133,2134,2135,
&end
#
# 130 THR QG2 132 ASP HB2 4.78 (#peak 474 #SUP 0.98 #QF 0.98)
&rst
ixpk= 474, nxpk= 0, iat= -1,2155, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=2133,2134,2135,
&end
#
# 86 PRO HB3 89 THR QG2 4.06 (#peak 477 #SUP 0.95 #QF 0.95)
&rst
ixpk= 477, nxpk= 0, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1456,1457,1458,
&end
#
# 88 TYR QE 89 THR QG2 4.47 (#peak 481 #SUP 0.99 #QF 0.99)
&rst
ixpk= 481, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1439,1444,
igr2=1456,1457,1458,
&end
#
# 88 TYR QD 89 THR QG2 4.31 (#peak 482 #SUP 0.94 #QF 0.94)
&rst
ixpk= 482, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1437,1446,
igr2=1456,1457,1458,
&end
#
# 89 THR H 89 THR QG2 3.65 (#peak 483 #SUP 0.72 #QF 0.72)
&rst
ixpk= 483, nxpk= 0, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1456,1457,1458,
&end
#
# 129 LEU H 130 THR QG2 4.79 (#peak 484 #SUP 0.85 #QF 0.85)
&rst
ixpk= 484, nxpk= 0, iat=2108, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2133,2134,2135,
&end
#
# 88 TYR H 89 THR QG2 4.46 (#peak 487 #SUP 0.90 #QF 0.23)
&rst
ixpk= 487, nxpk= 0, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1456,1457,1458,
&end
#
# 130 THR QG2 131 ALA H 3.66 (#peak 488 #SUP 0.97 #QF 0.97)
&rst
ixpk= 488, nxpk= 0, iat= -1,2141, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=2133,2134,2135,
&end
#
# 128 GLU H 130 THR QG2 5.50 (#peak 489 #SUP 0.91 #QF 0.91)
&rst
ixpk= 489, nxpk= 0, iat=2093, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2133,2134,2135,
&end
#
# 29 LEU HA 41 ALA QB 3.87 (#peak 492 #SUP 0.95 #QF 0.95)
&rst
ixpk= 492, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 665, 666, 667,
&end
#
# 40 LEU HA 41 ALA QB 3.87 (#peak 495 #SUP 0.99 #QF 0.99)
&rst
ixpk= 495, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 665, 666, 667,
&end
#
# 28 GLN HG3 41 ALA QB 3.20 (#peak 502 #SUP 0.59 #QF 0.59)
&rst
ixpk= 502, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 665, 666, 667,
&end
#
# 28 GLN HB3 41 ALA QB 3.57 (#peak 503 #SUP 0.84 #QF 0.84)
&rst
ixpk= 503, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 665, 666, 667,
&end
#
# 28 GLN HE21 41 ALA QB 4.42 (#peak 507 #SUP 0.99 #QF 0.23)
&rst
ixpk= 507, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 665, 666, 667,
&end
#
# 30 GLU H 41 ALA QB 4.59 (#peak 507 #SUP 0.99 #QF 0.23)
&rst
ixpk= 507, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 665, 666, 667,
&end
#
# 41 ALA H 41 ALA QB 3.20 (#peak 508 #SUP 0.89 #QF 0.89)
&rst
ixpk= 508, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 665, 666, 667,
&end
#
# 29 LEU H 41 ALA QB 4.39 (#peak 509 #SUP 0.98 #QF 0.98)
&rst
ixpk= 509, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 665, 666, 667,
&end
#
# 81 PHE QD 106 LEU QD2 4.12 (#peak 513 #SUP 0.95 #QF 0.95)
&rst
ixpk= 513, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1328,1336,
igr2=1737,1738,1739,
&end
#
# 138 VAL H 138 VAL QG2 3.85 (#peak 517 #SUP 1.00)
&rst
ixpk= 517, nxpk= 0, iat=2250, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=2260,2261,2262,
&end
#
# 106 LEU HA 106 LEU QD2 4.25 (#peak 522 #SUP 0.99 #QF 0.99)
&rst
ixpk= 522, nxpk= 0, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1737,1738,1739,
&end
#
# 138 VAL HA 138 VAL QG2 3.57 (#peak 523 #SUP 0.95 #QF 0.95)
&rst
ixpk= 523, nxpk= 0, iat=2252, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=2260,2261,2262,
&end
#
# 16 LEU HA 16 LEU QD2 4.08 (#peak 529 #SUP 1.00)
&rst
ixpk= 529, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 234, 235, 236,
&end
#
# 51 LEU QD2 82 ILE QD1 3.32 (#peak 538 #SUP 1.00 #QF 0.92)
&rst
ixpk= 538, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 825, 826, 827,
igr2=1353,1354,1355,
&end
#
# 51 LEU HA 51 LEU QD2 4.19 (#peak 541 #SUP 0.95 #QF 0.95)
&rst
ixpk= 541, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 825, 826, 827,
&end
#
# 16 LEU QD2 64 PHE QD 3.62 (#peak 542 #SUP 0.99 #QF 0.99)
&rst
ixpk= 542, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 234, 235, 236,
igr2=1049,1057,
&end
#
# 51 LEU H 51 LEU QD2 3.92 (#peak 543 #SUP 0.26 #QF 0.26)
&rst
ixpk= 543, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 825, 826, 827,
&end
#
# 16 LEU H 16 LEU QD2 4.33 (#peak 544 #SUP 0.97 #QF 0.97)
&rst
ixpk= 544, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 234, 235, 236,
&end
#
# 48 LEU HA 51 LEU QD2 4.11 (#peak 547 #SUP 0.88 #QF 0.88)
&rst
ixpk= 547, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 825, 826, 827,
&end
#
# 16 LEU QD2 64 PHE H 5.50 (#peak 552 #SUP 1.00)
&rst
ixpk= 552, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 234, 235, 236,
&end
#
# 51 LEU QD2 65 PHE HB3 4.84 (#peak 555 #SUP 0.97 #QF 0.97)
&rst
ixpk= 555, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 825, 826, 827,
&end
#
# 51 LEU QD2 65 PHE HB2 4.55 (#peak 565 #SUP 0.99 #QF 0.99)
&rst
ixpk= 565, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 825, 826, 827,
&end
#
# 48 LEU QB 51 LEU QD2 4.45 (#peak 566 #SUP 0.92 #QF 0.92)
&rst
ixpk= 566, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 761, 762,
igr2= 825, 826, 827,
&end
#
# 109 VAL QG2 110 GLU H 4.32 (#peak 568 #SUP 0.77 #QF 0.77)
&rst
ixpk= 568, nxpk= 0, iat= -1,1793, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1787,1788,1789,
&end
#
# 109 VAL QG2 110 GLU HA 5.16 (#peak 574 #SUP 0.67 #QF 0.67)
&rst
ixpk= 574, nxpk= 0, iat= -1,1795, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1787,1788,1789,
&end
#
# 109 VAL HA 109 VAL QG2 3.42 (#peak 576 #SUP 0.98 #QF 0.98)
&rst
ixpk= 576, nxpk= 0, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1787,1788,1789,
&end
#
# 109 VAL QG1 110 GLU HA 5.16 (#peak 588 #SUP 0.93 #QF 0.93)
&rst
ixpk= 588, nxpk= 0, iat= -1,1795, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1783,1784,1785,
&end
#
# 109 VAL QG1 110 GLU H 4.32 (#peak 593 #SUP 0.90 #QF 0.90)
&rst
ixpk= 593, nxpk= 0, iat= -1,1793, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1783,1784,1785,
&end
#
# 79 VAL HA 79 VAL QG2 3.45 (#peak 598 #SUP 0.97 #QF 0.97)
&rst
ixpk= 598, nxpk= 0, iat=1290, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1298,1299,1300,
&end
#
# 64 PHE QB 79 VAL QG2 4.08 (#peak 601 #SUP 0.96 #QF 0.96)
&rst
ixpk= 601, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1045,1046,
igr2=1298,1299,1300,
&end
#
# 64 PHE QB 79 VAL QG1 4.08 (#peak 604 #SUP 0.92 #QF 0.92)
&rst
ixpk= 604, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1045,1046,
igr2=1294,1295,1296,
&end
#
# 79 VAL HA 79 VAL QG1 3.45 (#peak 610 #SUP 0.97 #QF 0.97)
&rst
ixpk= 610, nxpk= 0, iat=1290, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1294,1295,1296,
&end
#
# 64 PHE QD 79 VAL QG1 4.31 (#peak 614 #SUP 0.93 #QF 0.93)
&rst
ixpk= 614, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1049,1057,
igr2=1294,1295,1296,
&end
#
# 64 PHE QD 79 VAL QG2 4.31 (#peak 615 #SUP 0.99 #QF 0.99)
&rst
ixpk= 615, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1049,1057,
igr2=1298,1299,1300,
&end
#
# 79 VAL H 79 VAL QG2 3.89 (#peak 616 #SUP 0.98 #QF 0.98)
&rst
ixpk= 616, nxpk= 0, iat=1288, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1298,1299,1300,
&end
#
# 79 VAL QG2 118 ILE H 5.44 (#peak 618 #SUP 0.67 #QF 0.67)
&rst
ixpk= 618, nxpk= 0, iat= -1,1930, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1298,1299,1300,
&end
#
# 79 VAL QG1 118 ILE H 5.44 (#peak 620 #SUP 0.99 #QF 0.99)
&rst
ixpk= 620, nxpk= 0, iat= -1,1930, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1294,1295,1296,
&end
#
# 79 VAL H 79 VAL QG1 3.89 (#peak 622 #SUP 0.99 #QF 0.42)
&rst
ixpk= 622, nxpk= 0, iat=1288, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1294,1295,1296,
&end
#
# 18 LYS HB2 24 LEU QD2 3.74 (#peak 630 #SUP 0.83 #QF 0.83)
&rst
ixpk= 630, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 381, 382, 383,
&end
#
# 15 ALA HA 24 LEU QD2 4.47 (#peak 632 #SUP 0.74 #QF 0.74)
&rst
ixpk= 632, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 381, 382, 383,
&end
#
# 24 LEU QD2 26 TYR H 4.96 (#peak 636 #SUP 1.00)
&rst
ixpk= 636, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 381, 382, 383,
&end
#
# 24 LEU QD2 25 ASN H 4.47 (#peak 637 #SUP 0.95 #QF 0.95)
&rst
ixpk= 637, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 381, 382, 383,
&end
#
# 19 LEU H 24 LEU QD2 5.02 (#peak 638 #SUP 0.95 #QF 0.95)
&rst
ixpk= 638, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 381, 382, 383,
&end
#
# 117 VAL H 117 VAL QG1 3.92 (#peak 642 #SUP 1.00)
&rst
ixpk= 642, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1920,1921,1922,
&end
#
# 16 LEU H 27 VAL QG1 4.25 (#peak 659 #SUP 0.89 #QF 0.89)
&rst
ixpk= 659, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 428, 429, 430,
&end
#
# 27 VAL H 27 VAL QG1 4.11 (#peak 660 #SUP 0.75 #QF 0.75)
&rst
ixpk= 660, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 428, 429, 430,
&end
#
# 27 VAL QG1 28 GLN H 4.26 (#peak 661 #SUP 0.82 #QF 0.82)
&rst
ixpk= 661, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 428, 429, 430,
&end
#
# 62 TYR QE 105 LEU QD2 4.56 (#peak 663 #SUP 0.85 #QF 0.85)
&rst
ixpk= 663, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1013,1018,
igr2=1718,1719,1720,
&end
#
# 27 VAL QG1 43 THR HA 4.97 (#peak 664 #SUP 0.56 #QF 0.56)
&rst
ixpk= 664, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 428, 429, 430,
&end
#
# 76 LEU HA 76 LEU QD2 4.06 (#peak 666 #SUP 0.80 #QF 0.80)
&rst
ixpk= 666, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1256,1257,1258,
&end
#
# 16 LEU HA 27 VAL QG1 4.48 (#peak 667 #SUP 0.61 #QF 0.61)
&rst
ixpk= 667, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 428, 429, 430,
&end
#
# 74 ASP QB 76 LEU QD2 3.75 (#peak 670 #SUP 0.94 #QF 0.94)
&rst
ixpk= 670, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1214,1215,
igr2=1256,1257,1258,
&end
#
# 138 VAL QG1 139 HIS H 4.06 (#peak 679 #SUP 0.81 #QF 0.81)
&rst
ixpk= 679, nxpk= 0, iat= -1,2266, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=2256,2257,2258,
&end
#
# 67 TYR QD 138 VAL QG1 4.50 (#peak 684 #SUP 0.85 #QF 0.85)
&rst
ixpk= 684, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1108,1117,
igr2=2256,2257,2258,
&end
#
# 113 LEU H 113 LEU QD2 4.31 (#peak 687 #SUP 0.99 #QF 0.99)
&rst
ixpk= 687, nxpk= 0, iat=1849, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1862,1863,1864,
&end
#
# 17 GLU H 113 LEU QD2 4.06 (#peak 689 #SUP 0.94 #QF 0.94)
&rst
ixpk= 689, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1862,1863,1864,
&end
#
# 66 LEU HA 66 LEU QD2 4.00 (#peak 692 #SUP 0.95 #QF 0.95)
&rst
ixpk= 692, nxpk= 0, iat=1083, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1094,1095,1096,
&end
#
# 138 VAL HA 138 VAL QG1 3.57 (#peak 695 #SUP 0.99 #QF 0.99)
&rst
ixpk= 695, nxpk= 0, iat=2252, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=2256,2257,2258,
&end
#
# 66 LEU HB3 66 LEU QD2 3.84 (#peak 699 #SUP 1.00)
&rst
ixpk= 699, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1094,1095,1096,
&end
#
# 113 LEU HA 113 LEU QD2 4.09 (#peak 704 #SUP 0.96 #QF 0.96)
&rst
ixpk= 704, nxpk= 0, iat=1851, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1862,1863,1864,
&end
#
# 17 GLU HA 113 LEU QD2 3.89 (#peak 705 #SUP 0.99 #QF 0.99)
&rst
ixpk= 705, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1862,1863,1864,
&end
#
# 113 LEU HB2 113 LEU QD2 3.88 (#peak 707 #SUP 0.99 #QF 0.57)
&rst
ixpk= 707, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1862,1863,1864,
&end
#
# 126 GLY HA2 129 LEU QD2 4.99 (#peak 717 #SUP 0.98 #QF 0.98)
&rst
ixpk= 717, nxpk= 0, iat=2076, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2121,2122,2123,
&end
#
# 40 LEU HA 40 LEU QD2 4.06 (#peak 725 #SUP 0.93 #QF 0.93)
&rst
ixpk= 725, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 655, 656, 657,
&end
#
# 40 LEU HB3 40 LEU QD2 3.41 (#peak 727 #SUP 1.00)
&rst
ixpk= 727, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 655, 656, 657,
&end
#
# 14 GLN H 40 LEU QD2 5.50 (#peak 734 #SUP 0.88 #QF 0.42)
&rst
ixpk= 734, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 655, 656, 657,
&end
#
# 65 PHE QD 134 LEU QD2 4.30 (#peak 735 #SUP 0.97 #QF 0.97)
&rst
ixpk= 735, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1069,1077,
igr2=2196,2197,2198,
&end
#
# 67 TYR QD 134 LEU QD2 4.74 (#peak 737 #SUP 0.90 #QF 0.90)
&rst
ixpk= 737, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1108,1117,
igr2=2196,2197,2198,
&end
#
# 67 TYR QE 134 LEU QD2 4.81 (#peak 738 #SUP 0.91 #QF 0.91)
&rst
ixpk= 738, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1110,1115,
igr2=2196,2197,2198,
&end
#
# 134 LEU HA 134 LEU QD2 3.98 (#peak 741 #SUP 0.92 #QF 0.92)
&rst
ixpk= 741, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=2196,2197,2198,
&end
#
# 67 TYR HB2 134 LEU QD2 4.53 (#peak 742 #SUP 0.84 #QF 0.84)
&rst
ixpk= 742, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2196,2197,2198,
&end
#
# 48 LEU QB 134 LEU QD2 5.01 (#peak 745 #SUP 0.86 #QF 0.46)
&rst
ixpk= 745, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 761, 762,
igr2=2196,2197,2198,
&end
#
# 80 VAL HB 134 LEU QD2 5.50 (#peak 745 #SUP 0.86 #QF 0.46)
&rst
ixpk= 745, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2196,2197,2198,
&end
#
# 134 LEU H 134 LEU QD2 4.46 (#peak 753 #SUP 0.92 #QF 0.92)
&rst
ixpk= 753, nxpk= 0, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=2196,2197,2198,
&end
#
# 19 LEU QD2 64 PHE QD 4.43 (#peak 758 #SUP 0.89 #QF 0.89)
&rst
ixpk= 758, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 290, 291, 292,
igr2=1049,1057,
&end
#
# 19 LEU QD2 25 ASN HA 4.49 (#peak 760 #SUP 0.93 #QF 0.93)
&rst
ixpk= 760, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 290, 291, 292,
&end
#
# 19 LEU QD2 65 PHE H 4.73 (#peak 762 #SUP 0.99 #QF 0.99)
&rst
ixpk= 762, nxpk= 0, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 290, 291, 292,
&end
#
# 19 LEU HA 19 LEU QD2 4.02 (#peak 764 #SUP 0.94 #QF 0.94)
&rst
ixpk= 764, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 290, 291, 292,
&end
#
# 19 LEU QD2 64 PHE QB 3.63 (#peak 767 #SUP 0.96 #QF 0.53)
&rst
ixpk= 767, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 290, 291, 292,
igr2=1045,1046,
&end
#
# 19 LEU HB3 19 LEU QD2 3.37 (#peak 771 #SUP 0.93 #QF 0.93)
&rst
ixpk= 771, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 290, 291, 292,
&end
#
# 19 LEU HB2 19 LEU QD2 3.28 (#peak 774 #SUP 0.93 #QF 0.93)
&rst
ixpk= 774, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 290, 291, 292,
&end
#
# 29 LEU HB2 29 LEU QD2 3.47 (#peak 783 #SUP 0.96 #QF 0.96)
&rst
ixpk= 783, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 468, 469, 470,
&end
#
# 29 LEU QD2 62 TYR HB2 4.87 (#peak 785 #SUP 0.88 #QF 0.88)
&rst
ixpk= 785, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 468, 469, 470,
&end
#
# 48 LEU QB 48 LEU QD2 3.07 (#peak 791 #SUP 1.00)
&rst
ixpk= 791, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 761, 762,
igr2= 770, 771, 772,
&end
#
# 29 LEU HA 29 LEU QD2 4.22 (#peak 796 #SUP 0.96 #QF 0.96)
&rst
ixpk= 796, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 468, 469, 470,
&end
#
# 29 LEU QD2 30 GLU H 5.13 (#peak 800 #SUP 0.92 #QF 0.92)
&rst
ixpk= 800, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 468, 469, 470,
&end
#
# 48 LEU QD2 67 TYR QE 4.90 (#peak 801 #SUP 0.93 #QF 0.93)
&rst
ixpk= 801, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 770, 771, 772,
igr2=1110,1115,
&end
#
# 28 GLN H 29 LEU QD2 5.26 (#peak 807 #SUP 0.85 #QF 0.38)
&rst
ixpk= 807, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 468, 469, 470,
&end
#
# 134 LEU HA 134 LEU QD1 3.98 (#peak 811 #SUP 0.99 #QF 0.99)
&rst
ixpk= 811, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=2192,2193,2194,
&end
#
# 106 LEU QD1 120 LYS QE 4.13 (#peak 812 #SUP 0.49 #QF 0.49)
&rst
ixpk= 812, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1733,1734,1735,
igr2=1986,1987,
&end
#
# 48 LEU QB 134 LEU QD1 5.01 (#peak 814 #SUP 0.71 #QF 0.42)
&rst
ixpk= 814, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 761, 762,
igr2=2192,2193,2194,
&end
#
# 80 VAL HB 134 LEU QD1 5.50 (#peak 814 #SUP 0.71 #QF 0.42)
&rst
ixpk= 814, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2192,2193,2194,
&end
#
# 67 TYR HB2 134 LEU QD1 4.53 (#peak 821 #SUP 0.91 #QF 0.91)
&rst
ixpk= 821, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2192,2193,2194,
&end
#
# 81 PHE QD 106 LEU QD1 4.12 (#peak 828 #SUP 0.65 #QF 0.65)
&rst
ixpk= 828, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1328,1336,
igr2=1733,1734,1735,
&end
#
# 16 LEU QD1 64 PHE QD 3.62 (#peak 832 #SUP 0.49 #QF 0.49)
&rst
ixpk= 832, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 230, 231, 232,
igr2=1049,1057,
&end
#
# 65 PHE QD 134 LEU QD1 4.30 (#peak 833 #SUP 0.82 #QF 0.82)
&rst
ixpk= 833, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1069,1077,
igr2=2192,2193,2194,
&end
#
# 67 TYR QE 134 LEU QD1 4.81 (#peak 835 #SUP 0.97 #QF 0.97)
&rst
ixpk= 835, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1110,1115,
igr2=2192,2193,2194,
&end
#
# 67 TYR QD 134 LEU QD1 4.74 (#peak 836 #SUP 0.86 #QF 0.86)
&rst
ixpk= 836, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1108,1117,
igr2=2192,2193,2194,
&end
#
# 16 LEU QD1 17 GLU H 5.03 (#peak 839 #SUP 0.89 #QF 0.72)
&rst
ixpk= 839, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 230, 231, 232,
&end
#
# 16 LEU QD1 19 LEU H 5.50 (#peak 839 #SUP 0.89 #QF 0.72)
&rst
ixpk= 839, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 230, 231, 232,
&end
#
# 34 LYS H 34 LYS HG3 4.64 (#peak 843 #SUP 0.95 #QF 0.95)
&rst
ixpk= 843, nxpk= 0, iat= 539, 547, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 34 LYS HG3 35 ASN H 5.38 (#peak 844 #SUP 0.80 #QF 0.80)
&rst
ixpk= 844, nxpk= 0, iat= 547, 561, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 34 LYS HG2 35 ASN H 5.38 (#peak 845 #SUP 0.65 #QF 0.65)
&rst
ixpk= 845, nxpk= 0, iat= 546, 561, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 34 LYS HA 34 LYS HG3 3.79 (#peak 847 #SUP 0.99 #QF 0.99)
&rst
ixpk= 847, nxpk= 0, iat= 541, 547, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 34 LYS HG3 34 LYS QE 3.91 (#peak 848 #SUP 0.95 #QF 0.95)
&rst
ixpk= 848, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 552, 553,
&end
#
# 34 LYS HG2 34 LYS QE 3.91 (#peak 849 #SUP 0.93 #QF 0.93)
&rst
ixpk= 849, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 552, 553,
&end
#
# 34 LYS HA 34 LYS HG2 3.79 (#peak 850 #SUP 0.94 #QF 0.94)
&rst
ixpk= 850, nxpk= 0, iat= 541, 546, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 141 LYS QG 141 LYS QE 4.15 (#peak 853 #SUP 0.69 #QF 0.69)
&rst
ixpk= 853, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=2304,2305,
igr2=2310,2311,
&end
#
# 141 LYS HA 141 LYS QG 4.00 (#peak 854 #SUP 0.66 #QF 0.66)
&rst
ixpk= 854, nxpk= 0, iat=2299, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2304,2305,
&end
#
# 102 LYS H 102 LYS HG3 3.93 (#peak 862 #SUP 0.99 #QF 0.99)
&rst
ixpk= 862, nxpk= 0, iat=1658,1666, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 102 LYS H 102 LYS HG2 4.75 (#peak 864 #SUP 1.00)
&rst
ixpk= 864, nxpk= 0, iat=1658,1665, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 102 LYS HA 102 LYS HG3 4.23 (#peak 866 #SUP 0.99 #QF 0.99)
&rst
ixpk= 866, nxpk= 0, iat=1660,1666, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 27 VAL HA 43 THR QG2 3.69 (#peak 872 #SUP 0.86 #QF 0.86)
&rst
ixpk= 872, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 691, 692, 693,
&end
#
# 40 LEU HA 43 THR QG2 5.36 (#peak 873 #SUP 0.94 #QF 0.94)
&rst
ixpk= 873, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 691, 692, 693,
&end
#
# 42 ASN H 43 THR QG2 4.64 (#peak 874 #SUP 0.98 #QF 0.98)
&rst
ixpk= 874, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 691, 692, 693,
&end
#
# 15 ALA H 43 THR QG2 5.11 (#peak 875 #SUP 0.97 #QF 0.97)
&rst
ixpk= 875, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 691, 692, 693,
&end
#
# 27 VAL H 43 THR QG2 5.43 (#peak 876 #SUP 0.97 #QF 0.97)
&rst
ixpk= 876, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 691, 692, 693,
&end
#
# 102 LYS HG3 102 LYS QE 4.14 (#peak 879 #SUP 0.80 #QF 0.80)
&rst
ixpk= 879, nxpk= 0, iat=1666, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1671,1672,
&end
#
# 99 SER HA 102 LYS HG3 5.05 (#peak 884 #SUP 0.88 #QF 0.88)
&rst
ixpk= 884, nxpk= 0, iat=1627,1666, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 99 SER HA 102 LYS HG2 4.93 (#peak 885 #SUP 0.97 #QF 0.97)
&rst
ixpk= 885, nxpk= 0, iat=1627,1665, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 102 LYS HG2 103 SER H 5.50 (#peak 886 #SUP 0.99 #QF 0.99)
&rst
ixpk= 886, nxpk= 0, iat=1665,1680, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 LYS HG3 103 SER H 5.07 (#peak 887 #SUP 0.96 #QF 0.96)
&rst
ixpk= 887, nxpk= 0, iat=1666,1680, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 11 ASP QB 43 THR QG2 5.50 (#peak 889 #SUP 0.74 #QF 0.74)
&rst
ixpk= 889, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 156, 157,
igr2= 691, 692, 693,
&end
#
# 56 PRO HA 57 LYS QG 3.97 (#peak 898 #SUP 0.27 #QF 0.27)
&rst
ixpk= 898, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 931, 932,
&end
#
# 53 LYS QB 53 LYS QG 2.85 (#peak 904 #SUP 0.99 #QF 0.89)
&rst
ixpk= 904, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 849, 850,
igr2= 852, 853,
&end
#
# 22 LYS H 22 LYS HG2 4.27 (#peak 908 #SUP 0.94 #QF 0.94)
&rst
ixpk= 908, nxpk= 0, iat= 329, 336, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 120 LYS H 120 LYS QG 4.41 (#peak 912 #SUP 0.97 #QF 0.97)
&rst
ixpk= 912, nxpk= 0, iat=1973, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1980,1981,
&end
#
# 53 LYS QG 54 ARG H 4.61 (#peak 918 #SUP 0.88 #QF 0.88)
&rst
ixpk= 918, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 852, 853,
&end
#
# 16 LEU H 16 LEU HG 3.87 (#peak 927 #SUP 0.99 #QF 0.99)
&rst
ixpk= 927, nxpk= 0, iat= 221, 228, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 19 LEU H 19 LEU HG 4.84 (#peak 930 #SUP 0.93 #QF 0.93)
&rst
ixpk= 930, nxpk= 0, iat= 277, 284, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 49 ARG QG 51 LEU H 4.85 (#peak 931 #SUP 0.66 #QF 0.66)
&rst
ixpk= 931, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 783, 784,
&end
#
# 47 GLU HA 49 ARG QG 4.84 (#peak 932 #SUP 0.95 #QF 0.95)
&rst
ixpk= 932, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 783, 784,
&end
#
# 18 LYS HG2 21 LYS QE 3.98 (#peak 936 #SUP 0.71 #QF 0.71)
&rst
ixpk= 936, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 320, 321,
&end
#
# 52 PRO HA 55 ILE HG12 4.33 (#peak 937 #SUP 0.88 #QF 0.88)
&rst
ixpk= 937, nxpk= 0, iat= 841, 901, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 19 LEU HA 19 LEU HG 3.83 (#peak 938 #SUP 0.81 #QF 0.81)
&rst
ixpk= 938, nxpk= 0, iat= 279, 284, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 111 ARG HA 111 ARG HG2 3.88 (#peak 942 #SUP 0.93 #QF 0.93)
&rst
ixpk= 942, nxpk= 0, iat=1810,1815, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 111 ARG HA 111 ARG HG3 3.88 (#peak 944 #SUP 0.97 #QF 0.97)
&rst
ixpk= 944, nxpk= 0, iat=1810,1816, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 7 PRO QG 37 THR QG2 4.50 (#peak 959 #SUP 0.68 #QF 0.68)
&rst
ixpk= 959, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 88, 89,
igr2= 596, 597, 598,
&end
#
# 6 PHE QB 7 PRO QG 4.66 (#peak 960 #SUP 0.89 #QF 0.89)
&rst
ixpk= 960, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 68, 69,
igr2= 88, 89,
&end
#
# 97 LEU H 97 LEU HG 3.51 (#peak 968 #SUP 0.62 #QF 0.62)
&rst
ixpk= 968, nxpk= 0, iat=1585,1592, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 111 ARG H 111 ARG HG3 4.04 (#peak 969 #SUP 0.63 #QF 0.63)
&rst
ixpk= 969, nxpk= 0, iat=1808,1816, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 29 LEU HG 64 PHE QD 4.41 (#peak 972 #SUP 0.94 #QF 0.94)
&rst
ixpk= 972, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1049,1057,
&end
#
# 121 ILE H 121 ILE HG13 4.13 (#peak 974 #SUP 0.98 #QF 0.98)
&rst
ixpk= 974, nxpk= 0, iat=1995,2006, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 13 PHE HZ 113 LEU HG 4.26 (#peak 975 #SUP 0.90 #QF 0.90)
&rst
ixpk= 975, nxpk= 0, iat= 186,1856, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 113 LEU H 113 LEU HG 4.20 (#peak 978 #SUP 0.99 #QF 0.99)
&rst
ixpk= 978, nxpk= 0, iat=1849,1856, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 76 LEU HG 77 GLU H 5.03 (#peak 979 #SUP 0.98 #QF 0.98)
&rst
ixpk= 979, nxpk= 0, iat=1250,1262, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 82 ILE H 82 ILE HG12 4.29 (#peak 980 #SUP 0.91 #QF 0.91)
&rst
ixpk= 980, nxpk= 0, iat=1340,1350, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 133 PHE QD 134 LEU HG 5.04 (#peak 982 #SUP 0.95 #QF 0.95)
&rst
ixpk= 982, nxpk= 0, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=2171,2179,
&end
#
# 29 LEU HA 29 LEU QD1 4.22 (#peak 985 #SUP 0.99 #QF 0.99)
&rst
ixpk= 985, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 464, 465, 466,
&end
#
# 28 GLN H 29 LEU QD1 5.26 (#peak 989 #SUP 0.89 #QF 0.56)
&rst
ixpk= 989, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 464, 465, 466,
&end
#
# 29 LEU QD1 30 GLU H 5.13 (#peak 990 #SUP 0.90 #QF 0.90)
&rst
ixpk= 990, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 464, 465, 466,
&end
#
# 48 LEU HG 49 ARG H 4.51 (#peak 992 #SUP 1.00)
&rst
ixpk= 992, nxpk= 0, iat= 764, 776, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 48 LEU H 48 LEU HG 4.65 (#peak 993 #SUP 0.93 #QF 0.93)
&rst
ixpk= 993, nxpk= 0, iat= 757, 764, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 48 LEU HG 65 PHE QD 5.20 (#peak 994 #SUP 0.87 #QF 0.87)
&rst
ixpk= 994, nxpk= 0, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1069,1077,
&end
#
# 86 PRO QG 90 CYS HA 4.37 (#peak 998 #SUP 0.55 #QF 0.55)
&rst
ixpk= 998, nxpk= 0, iat= -1,1466, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1412,1413,
&end
#
# 93 ARG HA 93 ARG HG3 3.78 (#peak 999 #SUP 0.97 #QF 0.97)
&rst
ixpk= 999, nxpk= 0, iat=1507,1513, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 106 LEU HA 106 LEU HG 4.10 (#peak 1005 #SUP 1.00)
&rst
ixpk= 1005, nxpk= 0, iat=1726,1731, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 134 LEU HA 134 LEU HG 3.98 (#peak 1006 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1006, nxpk= 0, iat=2185,2190, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 113 LEU HA 113 LEU HG 4.00 (#peak 1008 #SUP 0.92 #QF 0.56)
&rst
ixpk= 1008, nxpk= 0, iat=1851,1856, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 76 LEU HA 76 LEU HG 3.84 (#peak 1009 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1009, nxpk= 0, iat=1245,1250, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 120 LYS HA 121 ILE HG13 4.47 (#peak 1010 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1010, nxpk= 0, iat=1975,2006, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 80 VAL HA 121 ILE HG13 5.27 (#peak 1011 #SUP 0.60 #QF 0.60)
&rst
ixpk= 1011, nxpk= 0, iat=1306,2006, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 51 LEU HA 54 ARG HG2 4.18 (#peak 1012 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1012, nxpk= 0, iat= 814, 874, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 74 ASP QB 76 LEU HG 4.81 (#peak 1013 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1013, nxpk= 0, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1214,1215,
&end
#
# 93 ARG HA 93 ARG HG2 3.78 (#peak 1015 #SUP 0.62 #QF 0.62)
&rst
ixpk= 1015, nxpk= 0, iat=1507,1512, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 29 LEU HB2 29 LEU QD1 3.47 (#peak 1028 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1028, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 464, 465, 466,
&end
#
# 121 ILE HA 121 ILE HG12 4.02 (#peak 1035 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1035, nxpk= 0, iat=1997,2005, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 29 LEU QD1 62 TYR HB2 4.87 (#peak 1036 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1036, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 464, 465, 466,
&end
#
# 47 GLU HA 48 LEU HG 4.47 (#peak 1037 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1037, nxpk= 0, iat= 744, 764, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 101 CYS HA 104 PRO HG3 3.89 (#peak 1038 #SUP 0.66 #QF 0.66)
&rst
ixpk= 1038, nxpk= 0, iat=1649,1696, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 101 CYS HA 104 PRO HG2 3.85 (#peak 1039 #SUP 0.95 #QF 0.83)
&rst
ixpk= 1039, nxpk= 0, iat=1649,1695, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 8 ILE QG2 8 ILE HG12 3.42 (#peak 1052 #SUP 0.99 #QF 0.38)
&rst
ixpk= 1052, nxpk= 0, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 104, 105, 106,
&end
#
# 52 PRO HG3 53 LYS H 4.70 (#peak 1070 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1070, nxpk= 0, iat= 836, 845, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 52 PRO HG2 53 LYS H 4.70 (#peak 1071 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1071, nxpk= 0, iat= 835, 845, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 8 ILE HA 8 ILE HG12 3.79 (#peak 1076 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1076, nxpk= 0, iat= 100, 108, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 92 ILE H 92 ILE HG12 3.94 (#peak 1081 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1081, nxpk= 0, iat=1486,1496, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 21 LYS H 21 LYS HD3 4.26 (#peak 1083 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1083, nxpk= 0, iat= 307, 318, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 21 LYS HA 21 LYS HD3 4.42 (#peak 1084 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1084, nxpk= 0, iat= 309, 318, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 21 LYS HA 21 LYS HD2 4.42 (#peak 1086 #SUP 0.65 #QF 0.65)
&rst
ixpk= 1086, nxpk= 0, iat= 309, 317, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 118 ILE HA 118 ILE HG12 3.92 (#peak 1092 #SUP 1.00)
&rst
ixpk= 1092, nxpk= 0, iat=1932,1940, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 34 LYS QD 34 LYS QE 2.93 (#peak 1095 #SUP 0.98 #QF 0.97)
&rst
ixpk= 1095, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 549, 550,
igr2= 552, 553,
&end
#
# 49 ARG HB2 49 ARG QD 3.35 (#peak 1098 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1098, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 786, 787,
&end
#
# 92 ILE QG2 92 ILE HG12 3.22 (#peak 1113 #SUP 0.95 #QF 0.66)
&rst
ixpk= 1113, nxpk= 0, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1=1492,1493,1494,
&end
#
# 92 ILE HA 92 ILE HG13 3.79 (#peak 1121 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1121, nxpk= 0, iat=1488,1497, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 118 ILE HA 118 ILE HG13 3.92 (#peak 1124 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1124, nxpk= 0, iat=1932,1941, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 118 ILE QG2 118 ILE HG13 3.66 (#peak 1125 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1125, nxpk= 0, iat= -1,1941, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1936,1937,1938,
&end
#
# 92 ILE HA 92 ILE HG12 3.79 (#peak 1129 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1129, nxpk= 0, iat=1488,1496, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 38 ILE HA 38 ILE HG13 4.07 (#peak 1141 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1141, nxpk= 0, iat= 606, 615, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 17 GLU HB3 18 LYS H 4.14 (#peak 1146 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1146, nxpk= 0, iat= 245, 255, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 10 ARG QB 10 ARG HE 4.87 (#peak 1149 #SUP 0.97 #QF 0.94)
&rst
ixpk= 1149, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 132, 133,
&end
#
# 13 PHE QD 17 GLU HB3 4.84 (#peak 1150 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1150, nxpk= 0, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 182, 190,
&end
#
# 17 GLU H 17 GLU HB2 3.68 (#peak 1151 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1151, nxpk= 0, iat= 240, 244, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 107 GLU QB 108 ILE QD1 4.76 (#peak 1160 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1160, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=1747,1748,
igr2=1771,1772,1773,
&end
#
# 19 LEU QD1 64 PHE QB 3.63 (#peak 1189 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1189, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 286, 287, 288,
igr2=1045,1046,
&end
#
# 19 LEU HB3 19 LEU QD1 3.37 (#peak 1191 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1191, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 286, 287, 288,
&end
#
# 19 LEU HB2 19 LEU QD1 3.28 (#peak 1193 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1193, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 286, 287, 288,
&end
#
# 19 LEU HA 19 LEU QD1 4.02 (#peak 1196 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1196, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 286, 287, 288,
&end
#
# 19 LEU QD1 64 PHE QD 4.43 (#peak 1197 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1197, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 286, 287, 288,
igr2=1049,1057,
&end
#
# 19 LEU QD1 64 PHE HA 5.02 (#peak 1198 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1198, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 286, 287, 288,
&end
#
# 19 LEU QD1 65 PHE H 4.73 (#peak 1207 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1207, nxpk= 0, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 286, 287, 288,
&end
#
# 31 ILE H 31 ILE HG12 4.76 (#peak 1210 #SUP 1.00)
&rst
ixpk= 1210, nxpk= 0, iat= 489, 499, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 38 ILE H 38 ILE HG12 4.46 (#peak 1211 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1211, nxpk= 0, iat= 604, 614, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 8 ILE HG13 9 SER H 4.62 (#peak 1212 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1212, nxpk= 0, iat= 109, 117, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 19 LEU QD1 25 ASN HA 4.49 (#peak 1215 #SUP 0.63 #QF 0.63)
&rst
ixpk= 1215, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 286, 287, 288,
&end
#
# 8 ILE HG13 13 PHE HB2 4.73 (#peak 1217 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1217, nxpk= 0, iat= 109, 178, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 8 ILE QG2 8 ILE HG13 3.67 (#peak 1218 #SUP 0.78 #QF 0.65)
&rst
ixpk= 1218, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 104, 105, 106,
&end
#
# 8 ILE HG13 38 ILE QD1 3.91 (#peak 1218 #SUP 0.78 #QF 0.65)
&rst
ixpk= 1218, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 617, 618, 619,
&end
#
# 11 ASP HA 14 GLN HB2 3.86 (#peak 1227 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1227, nxpk= 0, iat= 154, 198, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 11 ASP HA 14 GLN HB3 3.94 (#peak 1231 #SUP 0.36 #QF 0.36)
&rst
ixpk= 1231, nxpk= 0, iat= 154, 199, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 13 PHE HZ 112 GLN QB 4.76 (#peak 1237 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1237, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1836,1837,
&end
#
# 112 GLN QB 113 LEU HG 4.81 (#peak 1238 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1238, nxpk= 0, iat= -1,1856, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1836,1837,
&end
#
# 95 ARG QB 95 ARG QD 3.56 (#peak 1240 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1240, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1548,1549,
igr2=1554,1555,
&end
#
# 93 ARG H 93 ARG HB3 3.91 (#peak 1253 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1253, nxpk= 0, iat=1505,1510, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 121 ILE HG13 137 GLU QB 4.12 (#peak 1257 #SUP 0.47 #QF 0.47)
&rst
ixpk= 1257, nxpk= 0, iat=2006, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=2239,2240,
&end
#
# 21 LYS H 21 LYS HD2 4.26 (#peak 1263 #SUP 0.36 #QF 0.36)
&rst
ixpk= 1263, nxpk= 0, iat= 307, 317, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 53 LYS H 53 LYS QD 4.72 (#peak 1264 #SUP 0.55 #QF 0.55)
&rst
ixpk= 1264, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 855, 856,
&end
#
# 94 GLU QB 95 ARG HA 4.54 (#peak 1283 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1283, nxpk= 0, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1533,1534,
&end
#
# 142 GLN HB3 142 GLN QG 2.70 (#peak 1294 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1294, nxpk= 0, iat=2324, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=2326,2327,
&end
#
# 104 PRO HB3 105 LEU H 4.26 (#peak 1302 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1302, nxpk= 0, iat=1699,1705, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 79 VAL HB 80 VAL H 4.41 (#peak 1304 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1304, nxpk= 0, iat=1292,1304, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 78 SER HA 79 VAL HB 5.50 (#peak 1313 #SUP 0.60 #QF 0.60)
&rst
ixpk= 1313, nxpk= 0, iat=1279,1292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 VAL HB 117 VAL HA 4.89 (#peak 1314 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1314, nxpk= 0, iat=1292,1916, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 5 ALA QB 104 PRO HB3 4.17 (#peak 1320 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1320, nxpk= 0, iat= -1,1699, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 58, 59, 60,
&end
#
# 52 PRO HB2 127 ASP HA 3.97 (#peak 1322 #SUP 0.63 #QF 0.63)
&rst
ixpk= 1322, nxpk= 0, iat= 838,2083, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 67 TYR QD 69 HIS HB3 5.13 (#peak 1334 #SUP 0.89 #QF 0.72)
&rst
ixpk= 1334, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1108,1117,
&end
#
# 96 MET QB 96 MET HG3 2.97 (#peak 1359 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1359, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1=1572,1573,
&end
#
# 102 LYS HB2 102 LYS QE 3.78 (#peak 1369 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1369, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1671,1672,
&end
#
# 17 GLU H 18 LYS HB2 5.44 (#peak 1408 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1408, nxpk= 0, iat= 240, 259, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 21 LYS HB2 21 LYS QE 4.63 (#peak 1411 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1411, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 320, 321,
&end
#
# 21 LYS HB3 21 LYS QE 4.63 (#peak 1412 #SUP 0.95 #QF 0.58)
&rst
ixpk= 1412, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 320, 321,
&end
#
# 57 LYS H 57 LYS HB3 4.10 (#peak 1422 #SUP 1.00)
&rst
ixpk= 1422, nxpk= 0, iat= 924, 929, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 4 VAL HB 5 ALA H 4.24 (#peak 1424 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1424, nxpk= 0, iat= 42, 54, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 96 MET HG3 97 LEU H 5.50 (#peak 1433 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1433, nxpk= 0, iat=1576,1585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 MET QB 97 LEU H 3.78 (#peak 1435 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1435, nxpk= 0, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1572,1573,
&end
#
# 137 GLU HA 140 PRO HB3 4.96 (#peak 1438 #SUP 0.71 #QF 0.71)
&rst
ixpk= 1438, nxpk= 0, iat=2237,2291, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 139 HIS HA 140 PRO HB3 5.43 (#peak 1439 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1439, nxpk= 0, iat=2268,2291, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 95 ARG QD 96 MET QB 4.37 (#peak 1442 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1442, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1554,1555,
igr2=1572,1573,
&end
#
# 81 PHE QD 120 LYS HB2 4.83 (#peak 1443 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1443, nxpk= 0, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1328,1336,
&end
#
# 114 GLN HA 114 GLN HG3 3.49 (#peak 1451 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1451, nxpk= 0, iat=1870,1876, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 114 GLN HA 114 GLN HG2 3.49 (#peak 1452 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1452, nxpk= 0, iat=1870,1875, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 14 GLN HA 14 GLN HG3 3.68 (#peak 1454 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1454, nxpk= 0, iat= 196, 202, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 112 GLN HA 112 GLN HG2 3.76 (#peak 1455 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1455, nxpk= 0, iat=1834,1839, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 108 ILE HA 112 GLN HG2 5.02 (#peak 1456 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1456, nxpk= 0, iat=1760,1839, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 108 ILE QG2 112 GLN HG2 4.34 (#peak 1457 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1457, nxpk= 0, iat= -1,1839, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1764,1765,1766,
&end
#
# 108 ILE QG2 112 GLN HG3 4.34 (#peak 1458 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1458, nxpk= 0, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1764,1765,1766,
&end
#
# 108 ILE HA 112 GLN HG3 5.02 (#peak 1459 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1459, nxpk= 0, iat=1760,1840, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 112 GLN HA 112 GLN HG3 3.76 (#peak 1460 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1460, nxpk= 0, iat=1834,1840, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 23 GLN HA 23 GLN HG3 4.07 (#peak 1461 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1461, nxpk= 0, iat= 353, 359, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 65 PHE HB3 80 VAL HB 4.70 (#peak 1465 #SUP 0.55 #QF 0.55)
&rst
ixpk= 1465, nxpk= 0, iat=1066,1308, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 80 VAL HB 82 ILE QD1 4.43 (#peak 1468 #SUP 1.00 #QF 0.76)
&rst
ixpk= 1468, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1353,1354,1355,
&end
#
# 55 ILE HB 126 GLY HA3 4.29 (#peak 1470 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1470, nxpk= 0, iat= 895,2077, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 55 ILE HB 126 GLY HA2 4.29 (#peak 1471 #SUP 0.98 #QF 0.79)
&rst
ixpk= 1471, nxpk= 0, iat= 895,2076, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 55 ILE HB 126 GLY H 4.66 (#peak 1490 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1490, nxpk= 0, iat= 895,2074, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 47 GLU HG2 48 LEU H 5.06 (#peak 1496 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1496, nxpk= 0, iat= 749, 757, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 47 GLU HG3 48 LEU H 5.06 (#peak 1497 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1497, nxpk= 0, iat= 750, 757, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 47 GLU HA 47 GLU HG2 3.83 (#peak 1498 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1498, nxpk= 0, iat= 744, 749, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 47 GLU HA 47 GLU HG3 3.83 (#peak 1499 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1499, nxpk= 0, iat= 744, 750, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 107 GLU H 107 GLU QG 4.02 (#peak 1500 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1500, nxpk= 0, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=1750,1751,
&end
#
# 104 PRO HA 107 GLU QG 4.66 (#peak 1504 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1504, nxpk= 0, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1750,1751,
&end
#
# 46 THR QG2 47 GLU HG2 5.50 (#peak 1515 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1515, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 734, 735, 736,
&end
#
# 47 GLU HG2 49 ARG QG 4.94 (#peak 1516 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1516, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 783, 784,
&end
#
# 47 GLU HG3 49 ARG QG 4.94 (#peak 1517 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1517, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 783, 784,
&end
#
# 72 GLU HA 72 GLU HG2 3.82 (#peak 1527 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1527, nxpk= 0, iat=1190,1195, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 30 GLU HB3 31 ILE H 4.70 (#peak 1534 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1534, nxpk= 0, iat= 479, 489, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 114 GLN H 115 MET HB2 5.29 (#peak 1535 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1535, nxpk= 0, iat=1868,1889, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 114 GLN H 115 MET HB3 5.29 (#peak 1536 #SUP 0.45 #QF 0.45)
&rst
ixpk= 1536, nxpk= 0, iat=1868,1890, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 65 PHE H 80 VAL HB 5.26 (#peak 1539 #SUP 1.00 #QF 0.96)
&rst
ixpk= 1539, nxpk= 0, iat=1061,1308, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 67 TYR H 80 VAL HB 5.50 (#peak 1539 #SUP 1.00 #QF 0.96)
&rst
ixpk= 1539, nxpk= 0, iat=1100,1308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 VAL H 80 VAL HB 3.75 (#peak 1540 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1540, nxpk= 0, iat=1304,1308, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 65 PHE QD 80 VAL HB 4.74 (#peak 1541 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1541, nxpk= 0, iat= -1,1308, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1069,1077,
&end
#
# 142 GLN HB2 142 GLN QG 2.70 (#peak 1549 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1549, nxpk= 0, iat=2323, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=2326,2327,
&end
#
# 13 PHE HZ 112 GLN HG2 4.74 (#peak 1554 #SUP 0.71 #QF 0.71)
&rst
ixpk= 1554, nxpk= 0, iat= 186,1839, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 114 GLN H 114 GLN HG2 3.98 (#peak 1556 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1556, nxpk= 0, iat=1868,1875, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 114 GLN H 114 GLN HG3 3.98 (#peak 1557 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1557, nxpk= 0, iat=1868,1876, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 13 PHE HZ 112 GLN HG3 4.74 (#peak 1561 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1561, nxpk= 0, iat= 186,1840, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 119 ARG HB3 138 VAL HA 4.87 (#peak 1568 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1568, nxpk= 0, iat=1954,2252, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 119 ARG HB2 138 VAL HA 4.87 (#peak 1569 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1569, nxpk= 0, iat=1953,2252, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 142 GLN H 142 GLN QG 4.26 (#peak 1572 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1572, nxpk= 0, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=2326,2327,
&end
#
# 112 GLN H 112 GLN HG3 4.66 (#peak 1573 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1573, nxpk= 0, iat=1832,1840, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 23 GLN H 23 GLN HG3 4.04 (#peak 1576 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1576, nxpk= 0, iat= 351, 359, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 14 GLN H 14 GLN HG2 3.72 (#peak 1579 #SUP 1.00)
&rst
ixpk= 1579, nxpk= 0, iat= 194, 201, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 14 GLN HA 14 GLN HG2 3.68 (#peak 1584 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1584, nxpk= 0, iat= 196, 201, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 80 VAL HB 81 PHE HA 5.50 (#peak 1591 #SUP 0.40 #QF 0.40)
&rst
ixpk= 1591, nxpk= 0, iat=1308,1322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 GLU HG3 73 GLY H 5.31 (#peak 1593 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1593, nxpk= 0, iat=1196,1203, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 71 HIS HD2 72 GLU HG3 5.00 (#peak 1595 #SUP 0.58 #QF 0.58)
&rst
ixpk= 1595, nxpk= 0, iat=1184,1196, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 HIS HD2 72 GLU HG2 5.00 (#peak 1598 #SUP 0.72 #QF 0.72)
&rst
ixpk= 1598, nxpk= 0, iat=1184,1195, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 133 PHE QD 137 GLU HG2 4.67 (#peak 1599 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1599, nxpk= 0, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=2171,2179,
&end
#
# 72 GLU HA 72 GLU HG3 3.82 (#peak 1600 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1600, nxpk= 0, iat=1190,1196, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 137 GLU H 137 GLU HG2 4.21 (#peak 1605 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1605, nxpk= 0, iat=2235,2242, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 133 PHE QD 137 GLU HG3 4.67 (#peak 1607 #SUP 0.64 #QF 0.64)
&rst
ixpk= 1607, nxpk= 0, iat= -1,2243, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=2171,2179,
&end
#
# 134 LEU HA 137 GLU HG3 4.92 (#peak 1609 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1609, nxpk= 0, iat=2185,2243, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 134 LEU HA 137 GLU HG2 4.92 (#peak 1611 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1611, nxpk= 0, iat=2185,2242, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 121 ILE QD1 137 GLU HG2 4.56 (#peak 1614 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1614, nxpk= 0, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=2008,2009,2010,
&end
#
# 121 ILE QD1 137 GLU HG3 4.56 (#peak 1615 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1615, nxpk= 0, iat= -1,2243, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=2008,2009,2010,
&end
#
# 16 LEU H 17 GLU HG2 5.11 (#peak 1620 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1620, nxpk= 0, iat= 221, 247, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 27 VAL HB 64 PHE QD 4.10 (#peak 1629 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1629, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1049,1057,
&end
#
# 28 GLN HG3 63 HIS HA 5.50 (#peak 1630 #SUP 0.82 #QF 0.76)
&rst
ixpk= 1630, nxpk= 0, iat= 446,1026, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLN HA 17 GLU HG2 4.30 (#peak 1633 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1633, nxpk= 0, iat= 196, 247, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 14 GLN HA 17 GLU HG3 4.14 (#peak 1634 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1634, nxpk= 0, iat= 196, 248, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 107 GLU HA 107 GLU QG 3.63 (#peak 1635 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1635, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1750,1751,
&end
#
# 28 GLN H 28 GLN HG3 5.50 (#peak 1639 #SUP 0.99 #QF 0.89)
&rst
ixpk= 1639, nxpk= 0, iat= 438, 446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 GLN HG3 63 HIS HE1 5.50 (#peak 1642 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1642, nxpk= 0, iat= 446,1034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 GLU H 110 GLU HG3 4.06 (#peak 1644 #SUP 0.63 #QF 0.63)
&rst
ixpk= 1644, nxpk= 0, iat=1793,1801, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 122 GLU H 122 GLU HG2 4.67 (#peak 1645 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1645, nxpk= 0, iat=2014,2021, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 94 GLU HG2 98 TYR QE 4.30 (#peak 1649 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1649, nxpk= 0, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1614,1619,
&end
#
# 94 GLU H 94 GLU HG3 4.81 (#peak 1652 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1652, nxpk= 0, iat=1529,1537, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 60 ALA H 94 GLU HG3 5.32 (#peak 1653 #SUP 0.88 #QF 0.43)
&rst
ixpk= 1653, nxpk= 0, iat= 969,1537, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 60 ALA H 94 GLU HG2 5.32 (#peak 1654 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1654, nxpk= 0, iat= 969,1536, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 110 GLU HA 110 GLU HG2 3.93 (#peak 1657 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1657, nxpk= 0, iat=1795,1800, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 94 GLU HA 94 GLU HG3 4.01 (#peak 1659 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1659, nxpk= 0, iat=1531,1537, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 33 ILE QD1 94 GLU HG3 4.38 (#peak 1664 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1664, nxpk= 0, iat= -1,1537, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 533, 534, 535,
&end
#
# 110 GLU HA 110 GLU HG3 3.93 (#peak 1669 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1669, nxpk= 0, iat=1795,1801, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 92 ILE HB 92 ILE QD1 3.18 (#peak 1671 #SUP 1.00 #QF 0.71)
&rst
ixpk= 1671, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1499,1500,1501,
&end
#
# 36 GLU HA 36 GLU HG2 4.09 (#peak 1675 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1675, nxpk= 0, iat= 577, 582, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 17 GLU HA 17 GLU HG3 3.83 (#peak 1676 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1676, nxpk= 0, iat= 242, 248, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 17 GLU HG3 18 LYS QE 4.36 (#peak 1677 #SUP 0.56 #QF 0.56)
&rst
ixpk= 1677, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 268, 269,
&end
#
# 123 ILE QG2 128 GLU HG3 3.83 (#peak 1680 #SUP 0.52 #QF 0.52)
&rst
ixpk= 1680, nxpk= 0, iat= -1,2101, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=2035,2036,2037,
&end
#
# 123 ILE QG2 128 GLU HG2 4.39 (#peak 1683 #SUP 0.72 #QF 0.34)
&rst
ixpk= 1683, nxpk= 0, iat= -1,2100, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=2035,2036,2037,
&end
#
# 17 GLU HG2 18 LYS QE 4.51 (#peak 1686 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1686, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 268, 269,
&end
#
# 122 GLU HA 122 GLU HG3 4.20 (#peak 1687 #SUP 1.00)
&rst
ixpk= 1687, nxpk= 0, iat=2016,2022, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 128 GLU HG3 129 LEU H 5.05 (#peak 1688 #SUP 0.41 #QF 0.41)
&rst
ixpk= 1688, nxpk= 0, iat=2101,2108, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 13 PHE QE 17 GLU HG2 5.13 (#peak 1689 #SUP 0.65 #QF 0.26)
&rst
ixpk= 1689, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 184, 188,
&end
#
# 128 GLU HG2 129 LEU H 5.43 (#peak 1689 #SUP 0.65 #QF 0.26)
&rst
ixpk= 1689, nxpk= 0, iat=2100,2108, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 105 LEU HA 108 ILE HB 4.15 (#peak 1692 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1692, nxpk= 0, iat=1707,1762, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 8 ILE HA 38 ILE HB 3.61 (#peak 1700 #SUP 0.63 #QF 0.63)
&rst
ixpk= 1700, nxpk= 0, iat= 100, 608, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 31 ILE QG2 33 ILE HB 5.00 (#peak 1701 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1701, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 495, 496, 497,
&end
#
# 19 LEU QD1 27 VAL HB 4.77 (#peak 1702 #SUP 0.85 #QF 0.38)
&rst
ixpk= 1702, nxpk= 0, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 286, 287, 288,
&end
#
# 19 LEU QD2 27 VAL HB 4.77 (#peak 1702 #SUP 0.85 #QF 0.38)
&rst
ixpk= 1702, nxpk= 0, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 290, 291, 292,
&end
#
# 27 VAL HB 64 PHE QB 3.84 (#peak 1703 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1703, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1045,1046,
&end
#
# 36 GLU HA 36 GLU HG3 4.09 (#peak 1704 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1704, nxpk= 0, iat= 577, 583, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 27 VAL HB 43 THR QG2 5.01 (#peak 1707 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1707, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 691, 692, 693,
&end
#
# 83 TYR HB3 122 GLU HG2 4.04 (#peak 1709 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1709, nxpk= 0, iat=1364,2021, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 83 TYR HB2 122 GLU HG2 4.01 (#peak 1710 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1710, nxpk= 0, iat=1363,2021, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 44 GLU HA 44 GLU QG 3.38 (#peak 1711 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1711, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 706, 707,
&end
#
# 83 TYR HB2 122 GLU HG3 4.56 (#peak 1713 #SUP 0.41 #QF 0.41)
&rst
ixpk= 1713, nxpk= 0, iat=1363,2022, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 26 TYR QD 45 ASN QB 4.81 (#peak 1726 #SUP 0.70 #QF 0.29)
&rst
ixpk= 1726, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 409, 418,
igr2= 718, 719,
&end
#
# 35 ASN HB2 37 THR QG2 4.54 (#peak 1733 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1733, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 596, 597, 598,
&end
#
# 11 ASP QB 40 LEU HG 4.86 (#peak 1735 #SUP 0.97 #QF 0.89)
&rst
ixpk= 1735, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 156, 157,
&end
#
# 11 ASP QB 40 LEU HB3 4.10 (#peak 1736 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1736, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 156, 157,
&end
#
# 35 ASN HB2 37 THR HB 5.29 (#peak 1739 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1739, nxpk= 0, iat= 565, 594, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 35 ASN H 35 ASN HB3 3.95 (#peak 1741 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1741, nxpk= 0, iat= 561, 566, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 35 ASN HB2 36 GLU H 4.92 (#peak 1746 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1746, nxpk= 0, iat= 565, 575, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 34 LYS H 35 ASN HB2 5.28 (#peak 1747 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1747, nxpk= 0, iat= 539, 565, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 83 TYR HB3 123 ILE H 5.09 (#peak 1755 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1755, nxpk= 0, iat=1364,2029, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 11 ASP QB 40 LEU H 4.92 (#peak 1760 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1760, nxpk= 0, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 156, 157,
&end
#
# 12 ALA H 13 PHE HB3 5.18 (#peak 1762 #SUP 0.57 #QF 0.57)
&rst
ixpk= 1762, nxpk= 0, iat= 164, 179, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 10 ARG HA 13 PHE HB3 3.99 (#peak 1764 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1764, nxpk= 0, iat= 130, 179, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 13 PHE HB3 16 LEU HB2 5.50 (#peak 1770 #SUP 0.95 #QF 0.91)
&rst
ixpk= 1770, nxpk= 0, iat= 179, 225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ARG QB 13 PHE HB3 5.50 (#peak 1771 #SUP 0.89 #QF 0.80)
&rst
ixpk= 1771, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 132, 133,
&end
#
# 13 PHE HB3 17 GLU HB3 5.50 (#peak 1771 #SUP 0.89 #QF 0.80)
&rst
ixpk= 1771, nxpk= 0, iat= 179, 245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 TYR HB3 123 ILE QD1 5.50 (#peak 1772 #SUP 0.62 #QF 0.62)
&rst
ixpk= 1772, nxpk= 0, iat=1364, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2042,2043,2044,
&end
#
# 83 TYR HB3 123 ILE HG13 5.50 (#peak 1773 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1773, nxpk= 0, iat=1364,2040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ILE HG12 13 PHE HB2 4.28 (#peak 1775 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1775, nxpk= 0, iat= 108, 178, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 83 TYR HB3 122 GLU QB 4.38 (#peak 1776 #SUP 0.40 #QF 0.40)
&rst
ixpk= 1776, nxpk= 0, iat=1364, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=2018,2019,
&end
#
# 10 ARG HA 13 PHE HB2 4.53 (#peak 1780 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1780, nxpk= 0, iat= 130, 178, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 25 ASN HB3 66 LEU HB2 4.37 (#peak 1788 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1788, nxpk= 0, iat= 392,1085, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 25 ASN HB3 66 LEU HB3 4.24 (#peak 1800 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1800, nxpk= 0, iat= 392,1086, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 26 TYR HB3 27 VAL H 4.69 (#peak 1817 #SUP 0.89 #QF 0.48)
&rst
ixpk= 1817, nxpk= 0, iat= 406, 422, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 133 PHE HB2 134 LEU H 4.57 (#peak 1821 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1821, nxpk= 0, iat=2167,2183, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 25 ASN HB2 66 LEU HB3 4.24 (#peak 1834 #SUP 1.00)
&rst
ixpk= 1834, nxpk= 0, iat= 391,1086, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 25 ASN HB2 66 LEU HB2 4.37 (#peak 1835 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1835, nxpk= 0, iat= 391,1085, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 26 TYR HB2 46 THR QG2 4.77 (#peak 1837 #SUP 0.85 #QF 0.58)
&rst
ixpk= 1837, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 734, 735, 736,
&end
#
# 32 ASP HB3 37 THR QG2 3.86 (#peak 1841 #SUP 0.99 #QF 0.49)
&rst
ixpk= 1841, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 596, 597, 598,
&end
#
# 29 LEU HB2 62 TYR HB3 4.57 (#peak 1843 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1843, nxpk= 0, iat= 459,1008, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 29 LEU HB3 62 TYR HB3 4.62 (#peak 1845 #SUP 0.56 #QF 0.56)
&rst
ixpk= 1845, nxpk= 0, iat= 460,1008, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 102 LYS HG2 102 LYS QE 3.65 (#peak 1847 #SUP 0.67 #QF 0.67)
&rst
ixpk= 1847, nxpk= 0, iat=1665, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1671,1672,
&end
#
# 102 LYS HB3 102 LYS QE 3.58 (#peak 1849 #SUP 0.92 #QF 0.67)
&rst
ixpk= 1849, nxpk= 0, iat=1663, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1671,1672,
&end
#
# 99 SER HA 102 LYS QE 3.74 (#peak 1852 #SUP 0.71 #QF 0.71)
&rst
ixpk= 1852, nxpk= 0, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1671,1672,
&end
#
# 102 LYS H 102 LYS QE 4.37 (#peak 1853 #SUP 0.72 #QF 0.72)
&rst
ixpk= 1853, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1671,1672,
&end
#
# 83 TYR QD 102 LYS QE 4.17 (#peak 1855 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1855, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1367,1376,
igr2=1671,1672,
&end
#
# 32 ASP HB2 33 ILE H 4.72 (#peak 1863 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1863, nxpk= 0, iat= 512, 520, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 31 ILE HA 32 ASP HB2 4.66 (#peak 1873 #SUP 0.48 #QF 0.48)
&rst
ixpk= 1873, nxpk= 0, iat= 491, 512, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 42 ASN HB2 43 THR H 4.17 (#peak 1875 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1875, nxpk= 0, iat= 675, 685, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 119 ARG HA 119 ARG QD 3.45 (#peak 1881 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1881, nxpk= 0, iat=1951, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1959,1960,
&end
#
# 119 ARG QD 121 ILE HG12 5.48 (#peak 1884 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1884, nxpk= 0, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1959,1960,
&end
#
# 119 ARG QD 138 VAL QG1 5.50 (#peak 1885 #SUP 0.57 #QF 0.57)
&rst
ixpk= 1885, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1959,1960,
igr2=2256,2257,2258,
&end
#
# 119 ARG QD 138 VAL QG2 5.50 (#peak 1886 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1886, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1959,1960,
igr2=2260,2261,2262,
&end
#
# 54 ARG HD3 55 ILE H 5.50 (#peak 1893 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1893, nxpk= 0, iat= 878, 891, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LYS QB 53 LYS QE 3.28 (#peak 1896 #SUP 1.00 #QF 0.36)
&rst
ixpk= 1896, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 849, 850,
igr2= 858, 859,
&end
#
# 53 LYS QG 53 LYS QE 3.03 (#peak 1897 #SUP 0.86 #QF 0.68)
&rst
ixpk= 1897, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 852, 853,
igr2= 858, 859,
&end
#
# 57 LYS QG 57 LYS QE 3.31 (#peak 1897 #SUP 0.86 #QF 0.68)
&rst
ixpk= 1897, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 931, 932,
igr2= 937, 938,
&end
#
# 54 ARG HA 54 ARG HD2 3.94 (#peak 1899 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1899, nxpk= 0, iat= 869, 877, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 66 LEU HG 68 LYS QE 4.08 (#peak 1901 #SUP 0.86 #QF 0.56)
&rst
ixpk= 1901, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1134,1135,
&end
#
# 120 LYS QG 120 LYS QE 3.49 (#peak 1905 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1905, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1980,1981,
igr2=1986,1987,
&end
#
# 18 LYS HB2 18 LYS QE 4.13 (#peak 1909 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1909, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 268, 269,
&end
#
# 81 PHE QB 120 LYS HA 4.47 (#peak 1914 #SUP 1.00)
&rst
ixpk= 1914, nxpk= 0, iat= -1,1975, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1324,1325,
&end
#
# 106 LEU QD2 120 LYS QE 4.13 (#peak 1924 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1924, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1737,1738,1739,
igr2=1986,1987,
&end
#
# 121 ILE HB 121 ILE QD1 3.36 (#peak 1943 #SUP 1.00)
&rst
ixpk= 1943, nxpk= 0, iat=1999, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2008,2009,2010,
&end
#
# 113 LEU HB3 113 LEU QD2 3.88 (#peak 1946 #SUP 1.00)
&rst
ixpk= 1946, nxpk= 0, iat=1854, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1862,1863,1864,
&end
#
# 113 LEU HB3 113 LEU QD1 3.88 (#peak 1947 #SUP 1.00)
&rst
ixpk= 1947, nxpk= 0, iat=1854, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1858,1859,1860,
&end
#
# 82 ILE HB 82 ILE QD1 3.39 (#peak 1952 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1952, nxpk= 0, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1353,1354,1355,
&end
#
# 31 ILE QD1 97 LEU HB2 4.33 (#peak 1953 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1953, nxpk= 0, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 502, 503, 504,
&end
#
# 82 ILE HA 121 ILE HB 4.31 (#peak 1956 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1956, nxpk= 0, iat=1342,1999, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 48 LEU QB 65 PHE QD 3.90 (#peak 1963 #SUP 0.52 #QF 0.52)
&rst
ixpk= 1963, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 761, 762,
igr2=1069,1077,
&end
#
# 97 LEU H 97 LEU HB3 3.83 (#peak 1967 #SUP 1.00)
&rst
ixpk= 1967, nxpk= 0, iat=1585,1590, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 82 ILE H 121 ILE HB 5.28 (#peak 1970 #SUP 0.58 #QF 0.58)
&rst
ixpk= 1970, nxpk= 0, iat=1340,1999, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 63 HIS HA 82 ILE HB 4.98 (#peak 1977 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1977, nxpk= 0, iat=1026,1344, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 120 LYS HA 121 ILE HB 5.25 (#peak 1982 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1982, nxpk= 0, iat=1975,1999, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 47 GLU HA 48 LEU QB 5.09 (#peak 1983 #SUP 0.87 #QF 0.82)
&rst
ixpk= 1983, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 761, 762,
&end
#
# 48 LEU QB 67 TYR HA 5.50 (#peak 1983 #SUP 0.87 #QF 0.82)
&rst
ixpk= 1983, nxpk= 0, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 761, 762,
&end
#
# 19 LEU HB2 25 ASN H 4.48 (#peak 1986 #SUP 0.91 #QF 0.76)
&rst
ixpk= 1986, nxpk= 0, iat= 281, 387, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 130 THR H 134 LEU HB2 4.81 (#peak 1986 #SUP 0.91 #QF 0.76)
&rst
ixpk= 1986, nxpk= 0, iat=2127,2187, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 67 TYR QE 134 LEU HB2 4.88 (#peak 1993 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1993, nxpk= 0, iat= -1,2187, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1110,1115,
&end
#
# 131 ALA HA 134 LEU HB2 3.83 (#peak 1994 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1994, nxpk= 0, iat=2143,2187, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 32 ASP HB2 39 ILE HB 4.88 (#peak 2008 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2008, nxpk= 0, iat= 512, 627, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 25 ASN HA 66 LEU HB3 4.37 (#peak 2011 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2011, nxpk= 0, iat= 389,1086, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 66 LEU HB3 66 LEU QD1 3.84 (#peak 2015 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2015, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1090,1091,1092,
&end
#
# 12 ALA H 40 LEU HB3 5.12 (#peak 2019 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2019, nxpk= 0, iat= 164, 647, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 40 LEU HB3 41 ALA HA 4.92 (#peak 2020 #SUP 0.73 #QF 0.73)
&rst
ixpk= 2020, nxpk= 0, iat= 647, 663, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 12 ALA HA 40 LEU HB3 4.44 (#peak 2022 #SUP 1.00)
&rst
ixpk= 2022, nxpk= 0, iat= 166, 647, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 40 LEU HB3 40 LEU QD1 3.41 (#peak 2025 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2025, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 651, 652, 653,
&end
#
# 111 ARG H 111 ARG QD 3.88 (#peak 2030 #SUP 0.58 #QF 0.58)
&rst
ixpk= 2030, nxpk= 0, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1818,1819,
&end
#
# 49 ARG H 49 ARG QD 4.00 (#peak 2031 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2031, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 786, 787,
&end
#
# 49 ARG QD 50 ASP H 4.40 (#peak 2033 #SUP 0.95 #QF 0.94)
&rst
ixpk= 2033, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 786, 787,
&end
#
# 61 ARG QD 62 TYR H 4.81 (#peak 2033 #SUP 0.95 #QF 0.94)
&rst
ixpk= 2033, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 989, 990,
&end
#
# 49 ARG QD 51 LEU H 5.50 (#peak 2034 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2034, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 786, 787,
&end
#
# 111 ARG QD 114 GLN H 5.50 (#peak 2035 #SUP 0.70 #QF 0.70)
&rst
ixpk= 2035, nxpk= 0, iat= -1,1868, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1818,1819,
&end
#
# 49 ARG HA 49 ARG QD 4.05 (#peak 2036 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2036, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 786, 787,
&end
#
# 111 ARG HA 111 ARG QD 3.50 (#peak 2037 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2037, nxpk= 0, iat=1810, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1818,1819,
&end
#
# 92 ILE QD1 93 ARG QD 4.96 (#peak 2041 #SUP 0.77 #QF 0.77)
&rst
ixpk= 2041, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1499,1500,1501,
igr2=1515,1516,
&end
#
# 65 PHE HB3 66 LEU H 4.77 (#peak 2052 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2052, nxpk= 0, iat=1066,1081, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 3 GLY QA 4 VAL HB 4.53 (#peak 2078 #SUP 0.74 #QF 0.74)
&rst
ixpk= 2078, nxpk= 0, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 33, 34,
&end
#
# 126 GLY HA3 129 LEU QD2 4.99 (#peak 2092 #SUP 0.99 #QF 0.96)
&rst
ixpk= 2092, nxpk= 0, iat=2077, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2121,2122,2123,
&end
#
# 55 ILE QD1 126 GLY HA3 4.79 (#peak 2095 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2095, nxpk= 0, iat= -1,2077, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 904, 905, 906,
&end
#
# 126 GLY HA3 128 GLU H 5.17 (#peak 2097 #SUP 0.71 #QF 0.71)
&rst
ixpk= 2097, nxpk= 0, iat=2077,2093, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 126 GLY HA2 128 GLU H 5.17 (#peak 2098 #SUP 0.79 #QF 0.79)
&rst
ixpk= 2098, nxpk= 0, iat=2076,2093, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 86 PRO HB2 87 GLY QA 4.35 (#peak 2100 #SUP 0.78 #QF 0.78)
&rst
ixpk= 2100, nxpk= 0, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1424,1425,
&end
#
# 49 ARG HB3 49 ARG QD 3.35 (#peak 2105 #SUP 0.98 #QF 0.22)
&rst
ixpk= 2105, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 786, 787,
&end
#
# 29 LEU HB3 62 TYR QD 4.81 (#peak 2108 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2108, nxpk= 0, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1011,1020,
&end
#
# 29 LEU HB3 30 GLU H 5.02 (#peak 2109 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2109, nxpk= 0, iat= 460, 474, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 29 LEU HB3 62 TYR HB2 5.02 (#peak 2114 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2114, nxpk= 0, iat= 460,1007, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 29 LEU HB2 62 TYR HB2 4.81 (#peak 2115 #SUP 0.69 #QF 0.69)
&rst
ixpk= 2115, nxpk= 0, iat= 459,1007, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 29 LEU HB3 38 ILE HG12 4.79 (#peak 2130 #SUP 0.73 #QF 0.73)
&rst
ixpk= 2130, nxpk= 0, iat= 460, 614, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 29 LEU HB2 30 GLU H 5.20 (#peak 2136 #SUP 0.76 #QF 0.76)
&rst
ixpk= 2136, nxpk= 0, iat= 459, 474, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 19 LEU H 24 LEU HB2 5.40 (#peak 2141 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2141, nxpk= 0, iat= 277, 372, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 19 LEU HA 24 LEU HB2 4.48 (#peak 2146 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2146, nxpk= 0, iat= 279, 372, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 19 LEU HA 24 LEU HB3 5.50 (#peak 2147 #SUP 0.80 #QF 0.80)
&rst
ixpk= 2147, nxpk= 0, iat= 279, 373, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LEU HB2 25 ASN HA 5.45 (#peak 2150 #SUP 0.61 #QF 0.61)
&rst
ixpk= 2150, nxpk= 0, iat= 372, 389, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 11 ASP QB 40 LEU HB2 4.93 (#peak 2159 #SUP 1.00)
&rst
ixpk= 2159, nxpk= 0, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 156, 157,
&end
#
# 12 ALA HA 40 LEU HB2 4.46 (#peak 2160 #SUP 1.00)
&rst
ixpk= 2160, nxpk= 0, iat= 166, 646, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 12 ALA H 40 LEU HB2 5.50 (#peak 2165 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2165, nxpk= 0, iat= 164, 646, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 139 HIS HA 140 PRO HD3 3.62 (#peak 2166 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2166, nxpk= 0, iat=2268,2285, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 60 ALA HA 86 PRO HD3 3.81 (#peak 2167 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2167, nxpk= 0, iat= 971,1410, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 139 HIS HA 140 PRO HD2 3.62 (#peak 2168 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2168, nxpk= 0, iat=2268,2284, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 60 ALA HA 86 PRO HD2 3.81 (#peak 2169 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2169, nxpk= 0, iat= 971,1409, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 6 PHE QB 7 PRO HD3 4.52 (#peak 2175 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2175, nxpk= 0, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 68, 69,
&end
#
# 6 PHE QB 7 PRO HD2 4.52 (#peak 2178 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2178, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 68, 69,
&end
#
# 6 PHE QD 7 PRO HD2 4.94 (#peak 2180 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2180, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 72, 80,
&end
#
# 60 ALA QB 86 PRO HD2 4.40 (#peak 2194 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2194, nxpk= 0, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 973, 974, 975,
&end
#
# 51 LEU HB2 52 PRO HD3 3.87 (#peak 2199 #SUP 0.65 #QF 0.65)
&rst
ixpk= 2199, nxpk= 0, iat= 816, 833, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 52 PRO HD2 53 LYS QB 4.35 (#peak 2207 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2207, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 849, 850,
&end
#
# 5 ALA HA 6 PHE QB 4.33 (#peak 2215 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2215, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 68, 69,
&end
#
# 5 ALA HA 104 PRO HG2 4.26 (#peak 2217 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2217, nxpk= 0, iat= 56,1695, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 4 VAL QG1 5 ALA HA 4.81 (#peak 2222 #SUP 1.00 #QF 0.75)
&rst
ixpk= 2222, nxpk= 0, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 44, 45, 46,
&end
#
# 30 GLU HA 98 TYR QE 4.43 (#peak 2247 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2247, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1614,1619,
&end
#
# 6 PHE HA 7 PRO HD2 3.75 (#peak 2249 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2249, nxpk= 0, iat= 66, 85, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 6 PHE HA 7 PRO HD3 3.75 (#peak 2250 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2250, nxpk= 0, iat= 66, 86, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 6 PHE HA 7 PRO QG 4.17 (#peak 2252 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2252, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 88, 89,
&end
#
# 28 GLN HG3 29 LEU HA 4.33 (#peak 2257 #SUP 0.61 #QF 0.61)
&rst
ixpk= 2257, nxpk= 0, iat= 446, 457, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 82 ILE QG2 83 TYR HA 4.44 (#peak 2260 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2260, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1346,1347,1348,
&end
#
# 62 TYR HA 62 TYR QD 3.66 (#peak 2262 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2262, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1011,1020,
&end
#
# 62 TYR HA 84 SER H 4.12 (#peak 2264 #SUP 0.74 #QF 0.74)
&rst
ixpk= 2264, nxpk= 0, iat=1005,1380, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 62 TYR HA 82 ILE QG2 5.50 (#peak 2267 #SUP 0.87 #QF 0.45)
&rst
ixpk= 2267, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1346,1347,1348,
&end
#
# 63 HIS HA 82 ILE QG2 5.50 (#peak 2267 #SUP 0.87 #QF 0.45)
&rst
ixpk= 2267, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1346,1347,1348,
&end
#
# 27 VAL HB 63 HIS HA 4.98 (#peak 2268 #SUP 0.70 #QF 0.70)
&rst
ixpk= 2268, nxpk= 0, iat= 426,1026, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 28 GLN HA 28 GLN HG3 4.16 (#peak 2275 #SUP 0.71 #QF 0.71)
&rst
ixpk= 2275, nxpk= 0, iat= 440, 446, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 28 GLN HA 41 ALA QB 4.49 (#peak 2276 #SUP 0.63 #QF 0.63)
&rst
ixpk= 2276, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 665, 666, 667,
&end
#
# 24 LEU HA 24 LEU QD2 4.21 (#peak 2282 #SUP 0.95 #QF 0.90)
&rst
ixpk= 2282, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 381, 382, 383,
&end
#
# 28 GLN HA 63 HIS HA 3.89 (#peak 2300 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2300, nxpk= 0, iat= 440,1026, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 129 LEU HA 133 PHE QD 3.76 (#peak 2302 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2302, nxpk= 0, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=2171,2179,
&end
#
# 129 LEU HA 133 PHE HB3 4.46 (#peak 2303 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2303, nxpk= 0, iat=2110,2168, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 129 LEU HA 133 PHE HB2 4.46 (#peak 2304 #SUP 0.79 #QF 0.79)
&rst
ixpk= 2304, nxpk= 0, iat=2110,2167, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 129 LEU HA 129 LEU HG 3.98 (#peak 2308 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2308, nxpk= 0, iat=2110,2115, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 76 LEU HA 77 GLU HG3 5.50 (#peak 2309 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2309, nxpk= 0, iat=1245,1270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 LEU HA 77 GLU HG2 5.50 (#peak 2310 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2310, nxpk= 0, iat=1245,1269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 ARG HA 54 ARG HD3 3.94 (#peak 2313 #SUP 0.80 #QF 0.80)
&rst
ixpk= 2313, nxpk= 0, iat= 869, 878, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 54 ARG HA 54 ARG HG2 4.03 (#peak 2316 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2316, nxpk= 0, iat= 869, 874, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 54 ARG HA 54 ARG HG3 4.08 (#peak 2317 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2317, nxpk= 0, iat= 869, 875, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 66 LEU HA 67 TYR HB2 4.96 (#peak 2322 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2322, nxpk= 0, iat=1083,1104, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 66 LEU HA 67 TYR HB3 5.12 (#peak 2323 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2323, nxpk= 0, iat=1083,1105, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 122 GLU HA 122 GLU HG2 4.06 (#peak 2335 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2335, nxpk= 0, iat=2016,2021, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 83 TYR HB3 122 GLU HA 4.37 (#peak 2336 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2336, nxpk= 0, iat=1364,2016, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 65 PHE HA 65 PHE QD 3.87 (#peak 2338 #SUP 0.65 #QF 0.65)
&rst
ixpk= 2338, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1069,1077,
&end
#
# 83 TYR HB2 122 GLU HA 4.66 (#peak 2343 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2343, nxpk= 0, iat=1363,2016, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 122 GLU HA 123 ILE HG13 4.27 (#peak 2344 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2344, nxpk= 0, iat=2016,2040, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 65 PHE HA 66 LEU HB2 4.99 (#peak 2346 #SUP 0.85 #QF 0.69)
&rst
ixpk= 2346, nxpk= 0, iat=1063,1085, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 81 PHE QD 120 LYS HA 4.11 (#peak 2351 #SUP 0.73 #QF 0.73)
&rst
ixpk= 2351, nxpk= 0, iat= -1,1975, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1328,1336,
&end
#
# 120 LYS HA 120 LYS QG 3.84 (#peak 2353 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2353, nxpk= 0, iat=1975, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1980,1981,
&end
#
# 120 LYS HA 120 LYS QD 4.23 (#peak 2354 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2354, nxpk= 0, iat=1975, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1983,1984,
&end
#
# 127 ASP HA 129 LEU H 4.35 (#peak 2365 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2365, nxpk= 0, iat=2083,2108, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 113 LEU H 114 GLN HA 4.99 (#peak 2368 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2368, nxpk= 0, iat=1849,1870, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 114 GLN HA 114 GLN QB 2.92 (#peak 2369 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2369, nxpk= 0, iat=1870, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2=1872,1873,
&end
#
# 72 GLU HA 74 ASP H 5.12 (#peak 2374 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2374, nxpk= 0, iat=1190,1210, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 106 LEU HA 106 LEU QD1 4.25 (#peak 2383 #SUP 1.00)
&rst
ixpk= 2383, nxpk= 0, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1733,1734,1735,
&end
#
# 128 GLU HA 128 GLU HG2 3.57 (#peak 2385 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2385, nxpk= 0, iat=2095,2100, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 127 ASP QB 128 GLU HA 4.63 (#peak 2387 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2387, nxpk= 0, iat= -1,2095, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=2085,2086,
&end
#
# 53 LYS HA 53 LYS QG 3.32 (#peak 2388 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2388, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 852, 853,
&end
#
# 59 SER HA 60 ALA QB 4.36 (#peak 2392 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2392, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 973, 974, 975,
&end
#
# 52 PRO HB3 127 ASP HA 3.97 (#peak 2394 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2394, nxpk= 0, iat= 839,2083, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 142 GLN HA 142 GLN QG 3.61 (#peak 2397 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2397, nxpk= 0, iat=2321, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=2326,2327,
&end
#
# 132 ASP HA 135 TYR HB3 3.91 (#peak 2401 #SUP 0.79 #QF 0.79)
&rst
ixpk= 2401, nxpk= 0, iat=2153,2207, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 131 ALA QB 132 ASP HA 4.29 (#peak 2404 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2404, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=2145,2146,2147,
&end
#
# 134 LEU HA 137 GLU QB 3.71 (#peak 2408 #SUP 0.95 #QF 0.92)
&rst
ixpk= 2408, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=2239,2240,
&end
#
# 134 LEU HA 137 GLU HA 5.50 (#peak 2409 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2409, nxpk= 0, iat=2185,2237, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 PHE QD 134 LEU HA 4.29 (#peak 2410 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2410, nxpk= 0, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=2171,2179,
&end
#
# 134 LEU HA 138 VAL H 4.38 (#peak 2412 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2412, nxpk= 0, iat=2185,2250, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 132 ASP HA 136 ASP H 4.69 (#peak 2423 #SUP 0.75 #QF 0.75)
&rst
ixpk= 2423, nxpk= 0, iat=2153,2223, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 135 TYR QD 136 ASP HA 4.15 (#peak 2427 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2427, nxpk= 0, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=2210,2219,
&end
#
# 16 LEU HA 16 LEU QD1 4.08 (#peak 2435 #SUP 1.00)
&rst
ixpk= 2435, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 230, 231, 232,
&end
#
# 16 LEU HA 19 LEU HB2 4.14 (#peak 2437 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2437, nxpk= 0, iat= 223, 281, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 16 LEU HA 16 LEU HG 3.82 (#peak 2438 #SUP 0.78 #QF 0.78)
&rst
ixpk= 2438, nxpk= 0, iat= 223, 228, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 16 LEU HA 19 LEU HB3 3.97 (#peak 2439 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2439, nxpk= 0, iat= 223, 282, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 49 ARG HA 49 ARG QG 3.55 (#peak 2446 #SUP 1.00)
&rst
ixpk= 2446, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 783, 784,
&end
#
# 105 LEU HA 105 LEU QD2 4.30 (#peak 2447 #SUP 0.83 #QF 0.83)
&rst
ixpk= 2447, nxpk= 0, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1718,1719,1720,
&end
#
# 44 GLU HA 45 ASN QB 4.43 (#peak 2452 #SUP 1.00)
&rst
ixpk= 2452, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 718, 719,
&end
#
# 44 GLU HA 45 ASN HA 4.46 (#peak 2454 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2454, nxpk= 0, iat= 701, 716, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 105 LEU HA 105 LEU QD1 4.30 (#peak 2455 #SUP 1.00)
&rst
ixpk= 2455, nxpk= 0, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1714,1715,1716,
&end
#
# 112 GLN HA 112 GLN QB 2.99 (#peak 2458 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2458, nxpk= 0, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1836,1837,
&end
#
# 9 SER HA 37 THR QG2 4.40 (#peak 2459 #SUP 0.98 #QF 0.38)
&rst
ixpk= 2459, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 596, 597, 598,
&end
#
# 9 SER HA 39 ILE QG2 4.75 (#peak 2459 #SUP 0.98 #QF 0.38)
&rst
ixpk= 2459, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 629, 630, 631,
&end
#
# 137 GLU HA 140 PRO QG 5.32 (#peak 2464 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2464, nxpk= 0, iat=2237, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2287,2288,
&end
#
# 26 TYR QD 44 GLU HA 4.88 (#peak 2465 #SUP 0.98 #QF 0.31)
&rst
ixpk= 2465, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 409, 418,
&end
#
# 49 ARG HA 51 LEU H 5.19 (#peak 2465 #SUP 0.98 #QF 0.31)
&rst
ixpk= 2465, nxpk= 0, iat= 778, 812, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 88 TYR HA 88 TYR QD 3.76 (#peak 2478 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2478, nxpk= 0, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1437,1446,
&end
#
# 70 SER HA 75 TYR HA 4.03 (#peak 2483 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2483, nxpk= 0, iat=1162,1224, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 86 PRO HB2 88 TYR HA 5.48 (#peak 2484 #SUP 0.96 #QF 0.55)
&rst
ixpk= 2484, nxpk= 0, iat=1415,1431, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 91 SER HA 92 ILE HB 5.50 (#peak 2484 #SUP 0.96 #QF 0.55)
&rst
ixpk= 2484, nxpk= 0, iat=1477,1490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 SER HA 10 ARG QB 4.45 (#peak 2485 #SUP 0.57 #QF 0.57)
&rst
ixpk= 2485, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 132, 133,
&end
#
# 87 GLY QA 88 TYR HA 4.16 (#peak 2488 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2488, nxpk= 0, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1424,1425,
&end
#
# 19 LEU HA 24 LEU HG 4.50 (#peak 2500 #SUP 0.97 #QF 0.96)
&rst
ixpk= 2500, nxpk= 0, iat= 279, 375, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 93 ARG HA 93 ARG QD 4.25 (#peak 2502 #SUP 0.65 #QF 0.65)
&rst
ixpk= 2502, nxpk= 0, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1515,1516,
&end
#
# 92 ILE QG2 93 ARG HA 4.57 (#peak 2505 #SUP 0.81 #QF 0.59)
&rst
ixpk= 2505, nxpk= 0, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1492,1493,1494,
&end
#
# 96 MET HA 96 MET HG3 4.05 (#peak 2507 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2507, nxpk= 0, iat=1570,1576, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 96 MET HA 96 MET HG2 4.05 (#peak 2508 #SUP 1.00)
&rst
ixpk= 2508, nxpk= 0, iat=1570,1575, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 96 MET HA 99 SER H 4.36 (#peak 2522 #SUP 0.53 #QF 0.53)
&rst
ixpk= 2522, nxpk= 0, iat=1570,1625, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 51 LEU HA 54 ARG HB2 4.62 (#peak 2525 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2525, nxpk= 0, iat= 814, 871, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 50 ASP QB 51 LEU HA 4.70 (#peak 2526 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2526, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 804, 805,
&end
#
# 46 THR HB 51 LEU HA 5.36 (#peak 2527 #SUP 0.92 #QF 0.63)
&rst
ixpk= 2527, nxpk= 0, iat= 732, 814, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 48 LEU HA 51 LEU HA 5.50 (#peak 2527 #SUP 0.92 #QF 0.63)
&rst
ixpk= 2527, nxpk= 0, iat= 759, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 PHE QE 17 GLU HA 5.08 (#peak 2545 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2545, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 184, 188,
&end
#
# 17 GLU HA 20 SER QB 4.50 (#peak 2546 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2546, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 300, 301,
&end
#
# 110 GLU HA 114 GLN H 4.80 (#peak 2549 #SUP 0.75 #QF 0.75)
&rst
ixpk= 2549, nxpk= 0, iat=1795,1868, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 130 THR HA 131 ALA QB 4.18 (#peak 2555 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2555, nxpk= 0, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2145,2146,2147,
&end
#
# 10 ARG HA 10 ARG QD 3.78 (#peak 2557 #SUP 0.86 #QF 0.30)
&rst
ixpk= 2557, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 138, 139,
&end
#
# 10 ARG HA 12 ALA H 4.92 (#peak 2559 #SUP 0.80 #QF 0.80)
&rst
ixpk= 2559, nxpk= 0, iat= 130, 164, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 8 ILE QG2 10 ARG HA 4.44 (#peak 2561 #SUP 0.69 #QF 0.69)
&rst
ixpk= 2561, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 104, 105, 106,
&end
#
# 48 LEU HA 48 LEU HG 3.84 (#peak 2563 #SUP 0.57 #QF 0.57)
&rst
ixpk= 2563, nxpk= 0, iat= 759, 764, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 107 GLU HA 107 GLU QB 2.94 (#peak 2567 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2567, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2=1747,1748,
&end
#
# 51 LEU HA 51 LEU QD1 4.19 (#peak 2571 #SUP 1.00)
&rst
ixpk= 2571, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 821, 822, 823,
&end
#
# 121 ILE HA 121 ILE HG13 3.94 (#peak 2576 #SUP 1.00)
&rst
ixpk= 2576, nxpk= 0, iat=1997,2006, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 121 ILE HA 122 GLU QB 4.58 (#peak 2578 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2578, nxpk= 0, iat=1997, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2018,2019,
&end
#
# 121 ILE HA 122 GLU HA 4.48 (#peak 2579 #SUP 0.61 #QF 0.61)
&rst
ixpk= 2579, nxpk= 0, iat=1997,2016, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 18 LYS HA 21 LYS QE 4.43 (#peak 2585 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2585, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 320, 321,
&end
#
# 102 LYS HA 102 LYS HG2 3.99 (#peak 2587 #SUP 0.89 #QF 0.72)
&rst
ixpk= 2587, nxpk= 0, iat=1660,1665, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 102 LYS HA 105 LEU HG 4.23 (#peak 2587 #SUP 0.89 #QF 0.72)
&rst
ixpk= 2587, nxpk= 0, iat=1660,1712, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 102 LYS HA 102 LYS QE 4.51 (#peak 2589 #SUP 0.78 #QF 0.78)
&rst
ixpk= 2589, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1671,1672,
&end
#
# 99 SER HA 102 LYS HA 5.26 (#peak 2591 #SUP 0.80 #QF 0.51)
&rst
ixpk= 2591, nxpk= 0, iat=1627,1660, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 102 LYS HA 103 SER HA 5.50 (#peak 2591 #SUP 0.80 #QF 0.51)
&rst
ixpk= 2591, nxpk= 0, iat=1660,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 LYS HA 105 LEU H 4.48 (#peak 2594 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2594, nxpk= 0, iat=1660,1705, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 62 TYR QD 102 LYS HA 5.50 (#peak 2595 #SUP 0.73 #QF 0.73)
&rst
ixpk= 2595, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1011,1020,
&end
#
# 102 LYS HA 106 LEU H 4.82 (#peak 2596 #SUP 0.83 #QF 0.83)
&rst
ixpk= 2596, nxpk= 0, iat=1660,1724, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 101 CYS H 102 LYS HA 5.07 (#peak 2597 #SUP 0.83 #QF 0.83)
&rst
ixpk= 2597, nxpk= 0, iat=1647,1660, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 133 PHE HA 133 PHE QD 3.62 (#peak 2600 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2600, nxpk= 0, iat=2165, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=2171,2179,
&end
#
# 103 SER H 103 SER HB3 3.58 (#peak 2601 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2601, nxpk= 0, iat=1680,1685, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 18 LYS HA 21 LYS H 4.26 (#peak 2604 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2604, nxpk= 0, iat= 257, 307, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 98 TYR HA 98 TYR QD 4.09 (#peak 2613 #SUP 0.97 #QF 0.96)
&rst
ixpk= 2613, nxpk= 0, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1612,1621,
&end
#
# 100 SER HA 102 LYS H 4.72 (#peak 2620 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2620, nxpk= 0, iat=1638,1658, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 101 CYS HA 104 PRO QD 3.83 (#peak 2625 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2625, nxpk= 0, iat=1649, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1692,1693,
&end
#
# 6 PHE QB 101 CYS HA 4.40 (#peak 2628 #SUP 0.38 #QF 0.38)
&rst
ixpk= 2628, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 68, 69,
&end
#
# 31 ILE QG2 98 TYR HA 5.38 (#peak 2631 #SUP 0.75 #QF 0.32)
&rst
ixpk= 2631, nxpk= 0, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 495, 496, 497,
&end
#
# 117 VAL HA 117 VAL QG1 3.30 (#peak 2640 #SUP 1.00)
&rst
ixpk= 2640, nxpk= 0, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1920,1921,1922,
&end
#
# 31 ILE HA 31 ILE HG12 3.80 (#peak 2641 #SUP 0.83 #QF 0.83)
&rst
ixpk= 2641, nxpk= 0, iat= 491, 499, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 38 ILE HA 38 ILE QG2 3.33 (#peak 2644 #SUP 1.00)
&rst
ixpk= 2644, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 610, 611, 612,
&end
#
# 7 PRO HA 8 ILE QG2 4.26 (#peak 2647 #SUP 0.69 #QF 0.69)
&rst
ixpk= 2647, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 104, 105, 106,
&end
#
# 46 THR HA 46 THR QG2 3.62 (#peak 2648 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2648, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 734, 735, 736,
&end
#
# 46 THR HA 50 ASP QB 3.93 (#peak 2649 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2649, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 804, 805,
&end
#
# 89 THR HA 89 THR QG2 3.23 (#peak 2650 #SUP 1.00)
&rst
ixpk= 2650, nxpk= 0, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1456,1457,1458,
&end
#
# 103 SER HA 106 LEU QD1 5.50 (#peak 2666 #SUP 1.00)
&rst
ixpk= 2666, nxpk= 0, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1733,1734,1735,
&end
#
# 102 LYS HB3 103 SER HA 4.26 (#peak 2668 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2668, nxpk= 0, iat=1663,1682, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 103 SER HA 104 PRO QD 4.09 (#peak 2670 #SUP 0.82 #QF 0.82)
&rst
ixpk= 2670, nxpk= 0, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1692,1693,
&end
#
# 135 TYR HA 138 VAL HB 4.47 (#peak 2674 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2674, nxpk= 0, iat=2204,2254, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 97 LEU HB3 100 SER QB 4.92 (#peak 2675 #SUP 0.22 #QF 0.22)
&rst
ixpk= 2675, nxpk= 0, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1640,1641,
&end
#
# 31 ILE QG2 33 ILE HA 4.31 (#peak 2680 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2680, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 495, 496, 497,
&end
#
# 33 ILE HA 33 ILE HG13 3.98 (#peak 2681 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2681, nxpk= 0, iat= 522, 531, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 33 ILE HA 33 ILE HG12 3.98 (#peak 2682 #SUP 0.68 #QF 0.68)
&rst
ixpk= 2682, nxpk= 0, iat= 522, 530, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 92 ILE HA 95 ARG QD 4.16 (#peak 2687 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2687, nxpk= 0, iat=1488, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1554,1555,
&end
#
# 9 SER HB3 39 ILE QG2 3.78 (#peak 2688 #SUP 0.98 #QF 0.59)
&rst
ixpk= 2688, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 629, 630, 631,
&end
#
# 9 SER HB2 39 ILE QG2 3.78 (#peak 2689 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2689, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 629, 630, 631,
&end
#
# 91 SER HB3 94 GLU QB 4.65 (#peak 2691 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2691, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1533,1534,
&end
#
# 33 ILE HA 36 GLU HA 4.53 (#peak 2692 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2692, nxpk= 0, iat= 522, 577, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 135 TYR HA 138 VAL H 3.72 (#peak 2698 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2698, nxpk= 0, iat=2204,2250, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 135 TYR HA 135 TYR QD 3.97 (#peak 2699 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2699, nxpk= 0, iat=2204, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=2210,2219,
&end
#
# 103 SER HA 106 LEU H 4.37 (#peak 2701 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2701, nxpk= 0, iat=1682,1724, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 103 SER HA 106 LEU QD2 5.50 (#peak 2704 #SUP 0.67 #QF 0.67)
&rst
ixpk= 2704, nxpk= 0, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1737,1738,1739,
&end
#
# 134 LEU HB2 135 TYR HA 5.07 (#peak 2705 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2705, nxpk= 0, iat=2187,2204, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 9 SER H 9 SER HB2 3.80 (#peak 2733 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2733, nxpk= 0, iat= 117, 121, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 108 ILE HA 112 GLN H 4.03 (#peak 2739 #SUP 0.73 #QF 0.73)
&rst
ixpk= 2739, nxpk= 0, iat=1760,1832, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 108 ILE HA 112 GLN QB 3.72 (#peak 2750 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2750, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1836,1837,
&end
#
# 108 ILE HA 108 ILE HG13 3.66 (#peak 2752 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2752, nxpk= 0, iat=1760,1769, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 108 ILE HA 108 ILE HG12 3.66 (#peak 2754 #SUP 1.00)
&rst
ixpk= 2754, nxpk= 0, iat=1760,1768, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 121 ILE HG12 138 VAL HA 5.38 (#peak 2757 #SUP 0.46 #QF 0.46)
&rst
ixpk= 2757, nxpk= 0, iat=2005,2252, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 119 ARG HE 138 VAL HA 4.69 (#peak 2759 #SUP 1.00)
&rst
ixpk= 2759, nxpk= 0, iat=1962,2252, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 63 HIS HE1 84 SER HB3 4.78 (#peak 2765 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2765, nxpk= 0, iat=1034,1385, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 63 HIS HE1 84 SER HB2 4.78 (#peak 2770 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2770, nxpk= 0, iat=1034,1384, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 104 PRO HA 107 GLU QB 3.21 (#peak 2774 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2774, nxpk= 0, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1747,1748,
&end
#
# 5 ALA QB 104 PRO HA 4.50 (#peak 2776 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2776, nxpk= 0, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 58, 59, 60,
&end
#
# 104 PRO HA 108 ILE QD1 5.04 (#peak 2780 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2780, nxpk= 0, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1771,1772,1773,
&end
#
# 69 HIS HB2 70 SER QB 5.29 (#peak 2784 #SUP 0.37 #QF 0.37)
&rst
ixpk= 2784, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1164,1165,
&end
#
# 52 PRO HA 55 ILE HG13 4.33 (#peak 2791 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2791, nxpk= 0, iat= 841, 902, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 109 VAL HA 109 VAL QG1 3.42 (#peak 2798 #SUP 0.78 #QF 0.78)
&rst
ixpk= 2798, nxpk= 0, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1783,1784,1785,
&end
#
# 109 VAL HA 114 GLN H 4.79 (#peak 2801 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2801, nxpk= 0, iat=1779,1868, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 109 VAL HA 113 LEU H 4.42 (#peak 2806 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2806, nxpk= 0, iat=1779,1849, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 55 ILE QD1 84 SER HB2 5.09 (#peak 2810 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2810, nxpk= 0, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 904, 905, 906,
&end
#
# 55 ILE QG2 84 SER HB2 3.91 (#peak 2811 #SUP 0.73 #QF 0.73)
&rst
ixpk= 2811, nxpk= 0, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 897, 898, 899,
&end
#
# 55 ILE QD1 84 SER HB3 5.09 (#peak 2813 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2813, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 904, 905, 906,
&end
#
# 89 THR H 89 THR HB 3.89 (#peak 2814 #SUP 0.81 #QF 0.81)
&rst
ixpk= 2814, nxpk= 0, iat=1450,1454, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 86 PRO QG 89 THR HB 4.70 (#peak 2818 #SUP 0.72 #QF 0.72)
&rst
ixpk= 2818, nxpk= 0, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1412,1413,
&end
#
# 86 PRO HB2 89 THR HB 5.14 (#peak 2819 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2819, nxpk= 0, iat=1415,1454, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 88 TYR QB 89 THR HB 5.50 (#peak 2822 #SUP 0.74 #QF 0.74)
&rst
ixpk= 2822, nxpk= 0, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1433,1434,
&end
#
# 26 TYR QD 46 THR HB 4.16 (#peak 2831 #SUP 0.39 #QF 0.39)
&rst
ixpk= 2831, nxpk= 0, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 409, 418,
&end
#
# 26 TYR HA 46 THR HB 4.81 (#peak 2833 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2833, nxpk= 0, iat= 403, 732, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 26 TYR HB2 46 THR HB 4.16 (#peak 2834 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2834, nxpk= 0, iat= 405, 732, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 26 TYR HB3 46 THR HB 4.16 (#peak 2835 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2835, nxpk= 0, iat= 406, 732, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 46 THR HB 50 ASP QB 5.36 (#peak 2837 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2837, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 804, 805,
&end
#
# 35 ASN HB3 37 THR HB 4.62 (#peak 2838 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2838, nxpk= 0, iat= 566, 594, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 7 PRO QG 37 THR HB 4.14 (#peak 2840 #SUP 0.50 #QF 0.50)
&rst
ixpk= 2840, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 88, 89,
&end
#
# 32 ASP HB3 37 THR HB 5.25 (#peak 2842 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2842, nxpk= 0, iat= 513, 594, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 36 GLU HA 37 THR HB 5.16 (#peak 2843 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2843, nxpk= 0, iat= 577, 594, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 26 TYR QD 43 THR HA 4.48 (#peak 2855 #SUP 0.35 #QF 0.35)
&rst
ixpk= 2855, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 409, 418,
&end
#
# 27 VAL HA 43 THR HA 3.83 (#peak 2857 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2857, nxpk= 0, iat= 424, 687, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 43 THR HA 43 THR QG2 3.31 (#peak 2859 #SUP 1.00)
&rst
ixpk= 2859, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 691, 692, 693,
&end
#
# 24 LEU HB3 43 THR HA 4.88 (#peak 2860 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2860, nxpk= 0, iat= 373, 687, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 26 TYR HA 26 TYR QD 3.91 (#peak 2872 #SUP 0.45 #QF 0.45)
&rst
ixpk= 2872, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 409, 418,
&end
#
# 26 TYR HA 64 PHE QB 5.17 (#peak 2876 #SUP 0.72 #QF 0.72)
&rst
ixpk= 2876, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1045,1046,
&end
#
# 26 TYR HA 27 VAL HB 5.05 (#peak 2878 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2878, nxpk= 0, iat= 403, 426, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 82 ILE HA 121 ILE QG2 4.91 (#peak 2880 #SUP 0.99 #QF 0.91)
&rst
ixpk= 2880, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2001,2002,2003,
&end
#
# 63 HIS HB2 82 ILE HA 5.29 (#peak 2885 #SUP 0.67 #QF 0.67)
&rst
ixpk= 2885, nxpk= 0, iat=1028,1342, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 64 PHE HA 64 PHE QD 4.29 (#peak 2893 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2893, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1049,1057,
&end
#
# 27 VAL H 64 PHE HA 5.50 (#peak 2898 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2898, nxpk= 0, iat= 422,1043, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 PHE HA 81 PHE H 5.50 (#peak 2898 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2898, nxpk= 0, iat=1043,1320, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 SER HA 76 LEU HG 5.50 (#peak 2900 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2900, nxpk= 0, iat=1162,1250, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 LEU QD2 64 PHE HA 5.02 (#peak 2903 #SUP 0.97 #QF 0.96)
&rst
ixpk= 2903, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 290, 291, 292,
&end
#
# 64 PHE HA 65 PHE HB2 4.65 (#peak 2904 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2904, nxpk= 0, iat=1043,1065, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 71 HIS HA 72 GLU HA 4.54 (#peak 2910 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2910, nxpk= 0, iat=1173,1190, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 11 ASP QB 12 ALA HA 4.78 (#peak 2923 #SUP 1.00)
&rst
ixpk= 2923, nxpk= 0, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 156, 157,
&end
#
# 15 ALA HA 18 LYS HB2 4.07 (#peak 2925 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2925, nxpk= 0, iat= 213, 259, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 113 LEU HA 113 LEU QD1 4.09 (#peak 2939 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2939, nxpk= 0, iat=1851, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1858,1859,1860,
&end
#
# 29 LEU HA 40 LEU HA 4.30 (#peak 2943 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2943, nxpk= 0, iat= 457, 644, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 50 ASP HA 53 LYS H 4.04 (#peak 2946 #SUP 0.78 #QF 0.78)
&rst
ixpk= 2946, nxpk= 0, iat= 802, 845, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 49 ARG QG 50 ASP HA 4.62 (#peak 2948 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2948, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 783, 784,
&end
#
# 40 LEU HG 42 ASN HA 4.82 (#peak 2955 #SUP 0.76 #QF 0.44)
&rst
ixpk= 2955, nxpk= 0, iat= 649, 673, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 41 ALA QB 42 ASN HA 5.04 (#peak 2955 #SUP 0.76 #QF 0.44)
&rst
ixpk= 2955, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 665, 666, 667,
&end
#
# 84 SER HA 123 ILE HG13 4.18 (#peak 2956 #SUP 0.67 #QF 0.67)
&rst
ixpk= 2956, nxpk= 0, iat=1382,2040, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 81 PHE HA 82 ILE QD1 5.11 (#peak 2958 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2958, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1353,1354,1355,
&end
#
# 69 HIS HA 70 SER HA 4.77 (#peak 2961 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2961, nxpk= 0, iat=1145,1162, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 42 ASN HA 43 THR HA 4.61 (#peak 2962 #SUP 1.00)
&rst
ixpk= 2962, nxpk= 0, iat= 673, 687, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 20 SER QB 113 LEU HA 5.50 (#peak 2963 #SUP 0.86 #QF 0.57)
&rst
ixpk= 2963, nxpk= 0, iat= -1,1851, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 300, 301,
&end
#
# 113 LEU HA 114 GLN HA 5.50 (#peak 2963 #SUP 0.86 #QF 0.57)
&rst
ixpk= 2963, nxpk= 0, iat=1851,1870, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 VAL HA 113 LEU HA 4.91 (#peak 2964 #SUP 0.62 #QF 0.62)
&rst
ixpk= 2964, nxpk= 0, iat=1779,1851, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 91 SER HB2 94 GLU QB 4.65 (#peak 2976 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2976, nxpk= 0, iat=1479, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1533,1534,
&end
#
# 56 PRO HA 58 ASP H 4.30 (#peak 2978 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2978, nxpk= 0, iat= 920, 946, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 13 PHE HA 17 GLU H 4.59 (#peak 2982 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2982, nxpk= 0, iat= 176, 240, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 94 GLU HA 97 LEU HB2 4.19 (#peak 2991 #SUP 0.52 #QF 0.52)
&rst
ixpk= 2991, nxpk= 0, iat=1531,1589, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 94 GLU HA 94 GLU HG2 4.01 (#peak 2993 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2993, nxpk= 0, iat=1531,1536, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 103 SER HB2 104 PRO QD 3.32 (#peak 2994 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2994, nxpk= 0, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1692,1693,
&end
#
# 103 SER HB3 104 PRO QD 3.32 (#peak 2995 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2995, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1692,1693,
&end
#
# 95 ARG HA 98 TYR QD 4.62 (#peak 2999 #SUP 0.82 #QF 0.49)
&rst
ixpk= 2999, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1612,1621,
&end
#
# 37 THR HA 37 THR QG2 3.87 (#peak 3002 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3002, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 596, 597, 598,
&end
#
# 133 PHE HA 136 ASP HB2 4.14 (#peak 3007 #SUP 0.83 #QF 0.83)
&rst
ixpk= 3007, nxpk= 0, iat=2165,2227, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 133 PHE HA 136 ASP HB3 4.14 (#peak 3008 #SUP 0.81 #QF 0.81)
&rst
ixpk= 3008, nxpk= 0, iat=2165,2228, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 6 PHE QE 36 GLU HA 5.34 (#peak 3018 #SUP 0.67 #QF 0.67)
&rst
ixpk= 3018, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 74, 78,
&end
#
# 123 ILE QG2 128 GLU HA 5.03 (#peak 3021 #SUP 0.74 #QF 0.61)
&rst
ixpk= 3021, nxpk= 0, iat= -1,2095, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=2035,2036,2037,
&end
#
# 15 ALA HA 17 GLU H 4.65 (#peak 3027 #SUP 0.79 #QF 0.69)
&rst
ixpk= 3027, nxpk= 0, iat= 213, 240, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 15 ALA HA 19 LEU H 5.12 (#peak 3027 #SUP 0.79 #QF 0.69)
&rst
ixpk= 3027, nxpk= 0, iat= 213, 277, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 12 ALA HA 14 GLN H 5.25 (#peak 3029 #SUP 1.00 #QF 0.99)
&rst
ixpk= 3029, nxpk= 0, iat= 166, 194, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 27 VAL H 63 HIS HA 5.38 (#peak 3033 #SUP 0.89 #QF 0.25)
&rst
ixpk= 3033, nxpk= 0, iat= 422,1026, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 116 ASP HA 117 VAL HB 4.73 (#peak 3043 #SUP 1.00)
&rst
ixpk= 3043, nxpk= 0, iat=1904,1918, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 30 GLU HA 31 ILE HB 4.43 (#peak 3045 #SUP 0.64 #QF 0.64)
&rst
ixpk= 3045, nxpk= 0, iat= 476, 493, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 30 GLU HA 38 ILE QG2 4.37 (#peak 3046 #SUP 0.62 #QF 0.62)
&rst
ixpk= 3046, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 610, 611, 612,
&end
#
# 25 ASN HA 66 LEU HB2 4.51 (#peak 3048 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3048, nxpk= 0, iat= 389,1085, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 66 LEU HB2 66 LEU QD2 3.86 (#peak 3051 #SUP 0.92 #QF 0.59)
&rst
ixpk= 3051, nxpk= 0, iat=1085, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1094,1095,1096,
&end
#
# 66 LEU HB2 66 LEU QD1 3.86 (#peak 3052 #SUP 0.75 #QF 0.75)
&rst
ixpk= 3052, nxpk= 0, iat=1085, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1090,1091,1092,
&end
#
# 134 LEU H 134 LEU HB3 3.91 (#peak 3053 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3053, nxpk= 0, iat=2183,2188, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 131 ALA HA 134 LEU HB3 4.73 (#peak 3064 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3064, nxpk= 0, iat=2143,2188, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 8 ILE HB 9 SER H 4.39 (#peak 3067 #SUP 0.65 #QF 0.65)
&rst
ixpk= 3067, nxpk= 0, iat= 102, 117, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 8 ILE HB 13 PHE QD 5.06 (#peak 3068 #SUP 0.76 #QF 0.76)
&rst
ixpk= 3068, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 182, 190,
&end
#
# 7 PRO HA 8 ILE HB 4.34 (#peak 3070 #SUP 0.52 #QF 0.52)
&rst
ixpk= 3070, nxpk= 0, iat= 94, 102, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 8 ILE HB 12 ALA QB 4.85 (#peak 3073 #SUP 0.77 #QF 0.77)
&rst
ixpk= 3073, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 168, 169, 170,
&end
#
# 51 LEU HB3 52 PRO HD3 3.87 (#peak 3093 #SUP 0.99 #QF 0.95)
&rst
ixpk= 3093, nxpk= 0, iat= 817, 833, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 51 LEU HB3 51 LEU QD2 4.18 (#peak 3102 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3102, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 825, 826, 827,
&end
#
# 51 LEU HB3 51 LEU QD1 4.18 (#peak 3103 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3103, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 821, 822, 823,
&end
#
# 51 LEU HB2 51 LEU QD2 4.18 (#peak 3105 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3105, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 825, 826, 827,
&end
#
# 48 LEU HA 51 LEU HB3 5.02 (#peak 3112 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3112, nxpk= 0, iat= 759, 817, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 48 LEU HA 51 LEU HB2 5.02 (#peak 3113 #SUP 0.96 #QF 0.49)
&rst
ixpk= 3113, nxpk= 0, iat= 759, 816, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 132 ASP HA 135 TYR HB2 4.63 (#peak 3118 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3118, nxpk= 0, iat=2153,2206, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 67 TYR HB3 118 ILE QG2 4.90 (#peak 3122 #SUP 0.95 #QF 0.86)
&rst
ixpk= 3122, nxpk= 0, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1936,1937,1938,
&end
#
# 67 TYR HB3 77 GLU HA 5.50 (#peak 3123 #SUP 0.71 #QF 0.71)
&rst
ixpk= 3123, nxpk= 0, iat=1105,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 PHE QD 67 TYR HB2 4.53 (#peak 3126 #SUP 0.74 #QF 0.74)
&rst
ixpk= 3126, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1069,1077,
&end
#
# 83 TYR QD 122 GLU HG3 4.46 (#peak 3138 #SUP 0.83 #QF 0.83)
&rst
ixpk= 3138, nxpk= 0, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1367,1376,
&end
#
# 63 HIS HB2 83 TYR H 5.50 (#peak 3142 #SUP 0.34 #QF 0.34)
&rst
ixpk= 3142, nxpk= 0, iat=1028,1359, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 HIS HB3 82 ILE HB 4.29 (#peak 3149 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3149, nxpk= 0, iat=1029,1344, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 63 HIS HB2 82 ILE QD1 4.47 (#peak 3151 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3151, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1353,1354,1355,
&end
#
# 63 HIS HB2 82 ILE HB 4.40 (#peak 3152 #SUP 1.00)
&rst
ixpk= 3152, nxpk= 0, iat=1028,1344, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 118 ILE QG2 119 ARG HB2 4.59 (#peak 3153 #SUP 0.80 #QF 0.74)
&rst
ixpk= 3153, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1936,1937,1938,
&end
#
# 118 ILE QG2 119 ARG HB3 4.59 (#peak 3155 #SUP 0.90 #QF 0.80)
&rst
ixpk= 3155, nxpk= 0, iat= -1,1954, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1936,1937,1938,
&end
#
# 28 GLN HB2 41 ALA QB 4.55 (#peak 3165 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3165, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 665, 666, 667,
&end
#
# 96 MET HG2 97 LEU H 5.50 (#peak 3169 #SUP 0.95 #QF 0.33)
&rst
ixpk= 3169, nxpk= 0, iat=1575,1585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 MET QB 96 MET HG2 2.97 (#peak 3172 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3172, nxpk= 0, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1=1572,1573,
&end
#
# 79 VAL HB 118 ILE H 5.32 (#peak 3182 #SUP 0.83 #QF 0.83)
&rst
ixpk= 3182, nxpk= 0, iat=1292,1930, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 90 CYS H 90 CYS HB3 4.11 (#peak 3194 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3194, nxpk= 0, iat=1464,1469, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 90 CYS HB2 91 SER H 4.45 (#peak 3201 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3201, nxpk= 0, iat=1468,1475, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 101 CYS H 101 CYS HB3 4.18 (#peak 3203 #SUP 1.00)
&rst
ixpk= 3203, nxpk= 0, iat=1647,1652, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 38 ILE QD1 101 CYS HB3 4.49 (#peak 3209 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3209, nxpk= 0, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 617, 618, 619,
&end
#
# 38 ILE QD1 101 CYS HB2 4.49 (#peak 3210 #SUP 1.00)
&rst
ixpk= 3210, nxpk= 0, iat= -1,1651, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 617, 618, 619,
&end
#
# 101 CYS HB3 102 LYS H 4.80 (#peak 3212 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3212, nxpk= 0, iat=1652,1658, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 62 TYR QE 101 CYS HB3 5.08 (#peak 3213 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3213, nxpk= 0, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1013,1018,
&end
#
# 31 ILE QD1 101 CYS HB2 4.58 (#peak 3217 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3217, nxpk= 0, iat= -1,1651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 502, 503, 504,
&end
#
# 31 ILE QD1 101 CYS HB3 4.58 (#peak 3218 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3218, nxpk= 0, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 502, 503, 504,
&end
#
# 67 TYR QD 134 LEU HG 5.34 (#peak 3221 #SUP 0.63 #QF 0.63)
&rst
ixpk= 3221, nxpk= 0, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1108,1117,
&end
#
# 67 TYR QE 134 LEU HG 5.04 (#peak 3222 #SUP 0.84 #QF 0.84)
&rst
ixpk= 3222, nxpk= 0, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1110,1115,
&end
#
# 129 LEU HA 134 LEU HG 5.40 (#peak 3224 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3224, nxpk= 0, iat=2110,2190, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 48 LEU QD1 67 TYR QE 4.90 (#peak 3227 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3227, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 766, 767, 768,
igr2=1110,1115,
&end
#
# 105 LEU H 105 LEU QD1 4.10 (#peak 3230 #SUP 0.85 #QF 0.63)
&rst
ixpk= 3230, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1714,1715,1716,
&end
#
# 126 GLY HA2 129 LEU QD1 4.99 (#peak 3233 #SUP 0.90 #QF 0.55)
&rst
ixpk= 3233, nxpk= 0, iat=2076, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2117,2118,2119,
&end
#
# 126 GLY HA3 129 LEU QD1 4.99 (#peak 3234 #SUP 0.49 #QF 0.49)
&rst
ixpk= 3234, nxpk= 0, iat=2077, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2117,2118,2119,
&end
#
# 48 LEU QB 48 LEU QD1 3.07 (#peak 3237 #SUP 1.00)
&rst
ixpk= 3237, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 761, 762,
igr2= 766, 767, 768,
&end
#
# 15 ALA HA 24 LEU QD1 4.47 (#peak 3239 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3239, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 377, 378, 379,
&end
#
# 24 LEU HA 24 LEU QD1 4.21 (#peak 3242 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3242, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 377, 378, 379,
&end
#
# 113 LEU HB2 113 LEU QD1 3.88 (#peak 3251 #SUP 1.00 #QF 0.37)
&rst
ixpk= 3251, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1858,1859,1860,
&end
#
# 17 GLU HA 113 LEU QD1 3.89 (#peak 3252 #SUP 1.00 #QF 0.33)
&rst
ixpk= 3252, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1858,1859,1860,
&end
#
# 66 LEU HA 66 LEU QD1 4.00 (#peak 3261 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3261, nxpk= 0, iat=1083, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1090,1091,1092,
&end
#
# 74 ASP QB 76 LEU QD1 3.75 (#peak 3267 #SUP 0.77 #QF 0.77)
&rst
ixpk= 3267, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1214,1215,
igr2=1252,1253,1254,
&end
#
# 18 LYS HA 18 LYS HG3 4.16 (#peak 3270 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3270, nxpk= 0, iat= 257, 263, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 18 LYS HG3 21 LYS QE 5.16 (#peak 3271 #SUP 0.80 #QF 0.80)
&rst
ixpk= 3271, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 320, 321,
&end
#
# 24 LEU H 24 LEU QD1 4.46 (#peak 3290 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3290, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 377, 378, 379,
&end
#
# 18 LYS HB2 24 LEU QD1 3.74 (#peak 3293 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3293, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 377, 378, 379,
&end
#
# 17 GLU H 113 LEU QD1 4.06 (#peak 3300 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3300, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1858,1859,1860,
&end
#
# 39 ILE H 39 ILE HG13 4.31 (#peak 3306 #SUP 1.00)
&rst
ixpk= 3306, nxpk= 0, iat= 623, 634, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 51 LEU HG 52 PRO HD3 5.04 (#peak 3308 #SUP 0.98 #QF 0.92)
&rst
ixpk= 3308, nxpk= 0, iat= 819, 833, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 40 LEU HA 40 LEU QD1 4.06 (#peak 3314 #SUP 1.00)
&rst
ixpk= 3314, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 651, 652, 653,
&end
#
# 76 LEU HA 76 LEU QD1 4.06 (#peak 3315 #SUP 1.00)
&rst
ixpk= 3315, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1252,1253,1254,
&end
#
# 51 LEU H 51 LEU QD1 3.92 (#peak 3324 #SUP 0.73 #QF 0.65)
&rst
ixpk= 3324, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 821, 822, 823,
&end
#
# 48 LEU HA 51 LEU QD1 4.11 (#peak 3325 #SUP 1.00 #QF 0.97)
&rst
ixpk= 3325, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 821, 822, 823,
&end
#
# 51 LEU QD1 65 PHE HB3 4.84 (#peak 3327 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3327, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 821, 822, 823,
&end
#
# 51 LEU QD1 65 PHE HB2 4.55 (#peak 3328 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3328, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 821, 822, 823,
&end
#
# 48 LEU QB 51 LEU QD1 4.45 (#peak 3329 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3329, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 761, 762,
igr2= 821, 822, 823,
&end
#
# 51 LEU HB2 51 LEU QD1 4.18 (#peak 3330 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3330, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 821, 822, 823,
&end
#
# 21 LYS H 115 MET QE 4.63 (#peak 3339 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3339, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1896,1897,1898,
&end
#
# 21 LYS HA 115 MET QE 4.21 (#peak 3343 #SUP 0.53 #QF 0.53)
&rst
ixpk= 3343, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1896,1897,1898,
&end
#
# 20 SER QB 115 MET QE 3.54 (#peak 3344 #SUP 0.48 #QF 0.48)
&rst
ixpk= 3344, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 300, 301,
igr2=1896,1897,1898,
&end
#
# 93 ARG H 96 MET QE 5.31 (#peak 3366 #SUP 0.96 #QF 0.86)
&rst
ixpk= 3366, nxpk= 0, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1579,1580,1581,
&end
#
# 96 MET QE 97 LEU H 5.50 (#peak 3366 #SUP 0.96 #QF 0.86)
&rst
ixpk= 3366, nxpk= 0, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1579,1580,1581,
&end
#
# 93 ARG HA 96 MET QE 3.41 (#peak 3371 #SUP 0.45 #QF 0.45)
&rst
ixpk= 3371, nxpk= 0, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1579,1580,1581,
&end
#
# 96 MET HG3 96 MET QE 3.59 (#peak 3373 #SUP 0.81 #QF 0.81)
&rst
ixpk= 3373, nxpk= 0, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1579,1580,1581,
&end
#
# 96 MET HG2 96 MET QE 3.59 (#peak 3374 #SUP 1.00)
&rst
ixpk= 3374, nxpk= 0, iat=1575, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1579,1580,1581,
&end
#
# 135 TYR QE 139 HIS HE1 5.30 (#peak 3404 #SUP 0.65 #QF 0.65)
&rst
ixpk= 3404, nxpk= 0, iat= -1,2276, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=2212,2217,
&end
#
# 135 TYR HA 135 TYR QE 4.88 (#peak 3412 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3412, nxpk= 0, iat=2204, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2212,2217,
&end
#
# 135 TYR QE 136 ASP HA 4.95 (#peak 3413 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3413, nxpk= 0, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2212,2217,
&end
#
# 69 HIS HD2 135 TYR QE 4.27 (#peak 3414 #SUP 0.86 #QF 0.86)
&rst
ixpk= 3414, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=2212,2217,
&end
#
# 135 TYR QE 139 HIS H 5.50 (#peak 3416 #SUP 0.86 #QF 0.51)
&rst
ixpk= 3416, nxpk= 0, iat= -1,2266, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2212,2217,
&end
#
# 62 TYR HA 63 HIS HD2 4.21 (#peak 3417 #SUP 0.77 #QF 0.77)
&rst
ixpk= 3417, nxpk= 0, iat=1005,1037, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 63 HIS HD2 82 ILE HB 4.03 (#peak 3423 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3423, nxpk= 0, iat=1037,1344, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 63 HIS HD2 82 ILE QG2 3.76 (#peak 3424 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3424, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1346,1347,1348,
&end
#
# 55 ILE QD1 63 HIS HD2 4.95 (#peak 3425 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3425, nxpk= 0, iat= -1,1037, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 904, 905, 906,
&end
#
# 61 ARG HA 98 TYR QE 4.34 (#peak 3430 #SUP 0.86 #QF 0.86)
&rst
ixpk= 3430, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1614,1619,
&end
#
# 95 ARG HA 98 TYR QE 5.08 (#peak 3431 #SUP 0.86 #QF 0.86)
&rst
ixpk= 3431, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1614,1619,
&end
#
# 94 GLU HG3 98 TYR QE 4.30 (#peak 3434 #SUP 0.75 #QF 0.75)
&rst
ixpk= 3434, nxpk= 0, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1614,1619,
&end
#
# 31 ILE HB 98 TYR QE 4.44 (#peak 3436 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3436, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1614,1619,
&end
#
# 31 ILE HG12 98 TYR QE 5.43 (#peak 3437 #SUP 0.99 #QF 0.93)
&rst
ixpk= 3437, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1614,1619,
&end
#
# 38 ILE QG2 98 TYR QE 5.50 (#peak 3437 #SUP 0.99 #QF 0.93)
&rst
ixpk= 3437, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 610, 611, 612,
igr2=1614,1619,
&end
#
# 31 ILE QD1 98 TYR QE 4.51 (#peak 3439 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3439, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 502, 503, 504,
igr2=1614,1619,
&end
#
# 60 ALA QB 83 TYR QE 3.43 (#peak 3440 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3440, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 973, 974, 975,
igr2=1369,1374,
&end
#
# 83 TYR QE 102 LYS QE 3.62 (#peak 3445 #SUP 0.64 #QF 0.64)
&rst
ixpk= 3445, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1369,1374,
igr2=1671,1672,
&end
#
# 83 TYR QE 99 SER QB 4.72 (#peak 3446 #SUP 0.37 #QF 0.37)
&rst
ixpk= 3446, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1369,1374,
igr2=1629,1630,
&end
#
# 83 TYR HA 83 TYR QE 5.33 (#peak 3447 #SUP 0.77 #QF 0.45)
&rst
ixpk= 3447, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1369,1374,
&end
#
# 86 PRO HB2 88 TYR QE 4.42 (#peak 3450 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3450, nxpk= 0, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1439,1444,
&end
#
# 60 ALA HA 83 TYR QE 4.35 (#peak 3456 #SUP 0.86 #QF 0.86)
&rst
ixpk= 3456, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1369,1374,
&end
#
# 83 TYR QE 99 SER HA 5.18 (#peak 3462 #SUP 0.85 #QF 0.85)
&rst
ixpk= 3462, nxpk= 0, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1369,1374,
&end
#
# 31 ILE QD1 62 TYR QE 3.86 (#peak 3464 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3464, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 502, 503, 504,
igr2=1013,1018,
&end
#
# 62 TYR QE 105 LEU QD1 4.56 (#peak 3465 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3465, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1013,1018,
igr2=1714,1715,1716,
&end
#
# 38 ILE QD1 62 TYR QE 3.64 (#peak 3466 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3466, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 617, 618, 619,
igr2=1013,1018,
&end
#
# 62 TYR QE 102 LYS HG2 4.31 (#peak 3467 #SUP 0.77 #QF 0.77)
&rst
ixpk= 3467, nxpk= 0, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1013,1018,
&end
#
# 62 TYR QE 102 LYS HG3 4.39 (#peak 3469 #SUP 0.84 #QF 0.84)
&rst
ixpk= 3469, nxpk= 0, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1013,1018,
&end
#
# 62 TYR QE 101 CYS HB2 5.08 (#peak 3470 #SUP 0.95 #QF 0.78)
&rst
ixpk= 3470, nxpk= 0, iat= -1,1651, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1013,1018,
&end
#
# 62 TYR QE 102 LYS QE 5.47 (#peak 3470 #SUP 0.95 #QF 0.78)
&rst
ixpk= 3470, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=1013,1018,
igr2=1671,1672,
&end
#
# 62 TYR QE 102 LYS HA 4.43 (#peak 3471 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3471, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1013,1018,
&end
#
# 62 TYR QE 98 TYR HA 4.18 (#peak 3472 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3472, nxpk= 0, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1013,1018,
&end
#
# 67 TYR QE 135 TYR HA 4.39 (#peak 3473 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3473, nxpk= 0, iat= -1,2204, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1110,1115,
&end
#
# 67 TYR QE 69 HIS HB2 4.92 (#peak 3474 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3474, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1110,1115,
&end
#
# 67 TYR QE 69 HIS HB3 4.58 (#peak 3475 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3475, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1110,1115,
&end
#
# 67 TYR QE 131 ALA QB 4.23 (#peak 3476 #SUP 0.93 #QF 0.87)
&rst
ixpk= 3476, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1110,1115,
igr2=2145,2146,2147,
&end
#
# 67 TYR QE 118 ILE QG2 5.39 (#peak 3478 #SUP 0.89 #QF 0.31)
&rst
ixpk= 3478, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1110,1115,
igr2=1936,1937,1938,
&end
#
# 83 TYR QE 95 ARG HA 5.50 (#peak 3484 #SUP 0.43 #QF 0.43)
&rst
ixpk= 3484, nxpk= 0, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1369,1374,
&end
#
# 62 TYR HA 83 TYR QE 4.89 (#peak 3486 #SUP 0.64 #QF 0.64)
&rst
ixpk= 3486, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1369,1374,
&end
#
# 62 TYR HA 62 TYR QE 4.42 (#peak 3491 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3491, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1013,1018,
&end
#
# 65 PHE QD 67 TYR QE 5.50 (#peak 3496 #SUP 0.66 #QF 0.66)
&rst
ixpk= 3496, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1069,1077,
igr2=1110,1115,
&end
#
# 67 TYR QE 138 VAL H 5.09 (#peak 3497 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3497, nxpk= 0, iat= -1,2250, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1110,1115,
&end
#
# 62 TYR QE 98 TYR H 5.50 (#peak 3498 #SUP 0.77 #QF 0.77)
&rst
ixpk= 3498, nxpk= 0, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1013,1018,
&end
#
# 138 VAL H 139 HIS HD2 5.35 (#peak 3502 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3502, nxpk= 0, iat=2250,2279, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 135 TYR QD 139 HIS HD2 4.48 (#peak 3503 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3503, nxpk= 0, iat= -1,2279, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=2210,2219,
&end
#
# 135 TYR QE 139 HIS HD2 4.84 (#peak 3504 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3504, nxpk= 0, iat= -1,2279, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=2212,2217,
&end
#
# 69 HIS HD2 139 HIS HD2 4.56 (#peak 3505 #SUP 0.71 #QF 0.71)
&rst
ixpk= 3505, nxpk= 0, iat=1156,2279, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 139 HIS HA 139 HIS HD2 3.74 (#peak 3506 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3506, nxpk= 0, iat=2268,2279, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 135 TYR HA 139 HIS HD2 4.95 (#peak 3507 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3507, nxpk= 0, iat=2204,2279, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 138 VAL HB 139 HIS HD2 4.52 (#peak 3509 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3509, nxpk= 0, iat=2254,2279, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 139 HIS HD2 140 PRO HD3 5.50 (#peak 3512 #SUP 0.86 #QF 0.86)
&rst
ixpk= 3512, nxpk= 0, iat=2279,2285, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 139 HIS HD2 140 PRO HD2 5.50 (#peak 3513 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3513, nxpk= 0, iat=2279,2284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 TYR HA 81 PHE QE 4.87 (#peak 3533 #SUP 0.65 #QF 0.65)
&rst
ixpk= 3533, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1330,1334,
&end
#
# 81 PHE HA 81 PHE QE 5.05 (#peak 3534 #SUP 0.95 #QF 0.94)
&rst
ixpk= 3534, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1330,1334,
&end
#
# 81 PHE QE 120 LYS HA 5.50 (#peak 3534 #SUP 0.95 #QF 0.94)
&rst
ixpk= 3534, nxpk= 0, iat= -1,1975, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1330,1334,
&end
#
# 62 TYR QD 81 PHE QE 3.42 (#peak 3535 #SUP 0.61 #QF 0.61)
&rst
ixpk= 3535, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1011,1020,
igr2=1330,1334,
&end
#
# 67 TYR QD 135 TYR HA 4.79 (#peak 3536 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3536, nxpk= 0, iat= -1,2204, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1108,1117,
&end
#
# 62 TYR HB3 81 PHE QE 4.06 (#peak 3538 #SUP 0.53 #QF 0.31)
&rst
ixpk= 3538, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1330,1334,
&end
#
# 81 PHE QE 83 TYR HB2 4.27 (#peak 3538 #SUP 0.53 #QF 0.31)
&rst
ixpk= 3538, nxpk= 0, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1330,1334,
&end
#
# 81 PHE QE 102 LYS HB3 5.26 (#peak 3540 #SUP 0.86 #QF 0.54)
&rst
ixpk= 3540, nxpk= 0, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1330,1334,
&end
#
# 48 LEU QB 67 TYR QD 4.41 (#peak 3541 #SUP 0.58 #QF 0.58)
&rst
ixpk= 3541, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 761, 762,
igr2=1108,1117,
&end
#
# 67 TYR QD 138 VAL QG2 4.50 (#peak 3542 #SUP 0.74 #QF 0.74)
&rst
ixpk= 3542, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1108,1117,
igr2=2260,2261,2262,
&end
#
# 67 TYR QD 118 ILE QG2 3.87 (#peak 3545 #SUP 0.82 #QF 0.45)
&rst
ixpk= 3545, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1108,1117,
igr2=1936,1937,1938,
&end
#
# 81 PHE QE 120 LYS QG 4.02 (#peak 3546 #SUP 0.88 #QF 0.88)
&rst
ixpk= 3546, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1330,1334,
igr2=1980,1981,
&end
#
# 81 PHE QE 83 TYR HB3 4.55 (#peak 3550 #SUP 0.46 #QF 0.46)
&rst
ixpk= 3550, nxpk= 0, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1330,1334,
&end
#
# 5 ALA QB 6 PHE QD 4.41 (#peak 3555 #SUP 0.87 #QF 0.87)
&rst
ixpk= 3555, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 58, 59, 60,
igr2= 72, 80,
&end
#
# 6 PHE HA 6 PHE QD 3.86 (#peak 3560 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3560, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 72, 80,
&end
#
# 6 PHE HA 6 PHE QE 4.67 (#peak 3563 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3563, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 74, 78,
&end
#
# 67 TYR HA 67 TYR QD 3.54 (#peak 3564 #SUP 0.74 #QF 0.74)
&rst
ixpk= 3564, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1108,1117,
&end
#
# 6 PHE QD 7 PRO HD3 4.94 (#peak 3568 #SUP 0.85 #QF 0.85)
&rst
ixpk= 3568, nxpk= 0, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 72, 80,
&end
#
# 64 PHE QD 65 PHE H 4.77 (#peak 3581 #SUP 0.70 #QF 0.61)
&rst
ixpk= 3581, nxpk= 0, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1049,1057,
&end
#
# 62 TYR QD 84 SER H 5.30 (#peak 3581 #SUP 0.70 #QF 0.61)
&rst
ixpk= 3581, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1011,1020,
&end
#
# 62 TYR QD 63 HIS H 4.34 (#peak 3582 #SUP 0.85 #QF 0.85)
&rst
ixpk= 3582, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1011,1020,
&end
#
# 27 VAL H 64 PHE QD 5.08 (#peak 3584 #SUP 0.76 #QF 0.76)
&rst
ixpk= 3584, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1049,1057,
&end
#
# 61 ARG H 83 TYR QD 4.33 (#peak 3587 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3587, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1367,1376,
&end
#
# 83 TYR H 83 TYR QD 4.54 (#peak 3588 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3588, nxpk= 0, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1367,1376,
&end
#
# 62 TYR QE 83 TYR QD 4.13 (#peak 3591 #SUP 0.28 #QF 0.28)
&rst
ixpk= 3591, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1013,1018,
igr2=1367,1376,
&end
#
# 83 TYR HA 83 TYR QD 3.51 (#peak 3592 #SUP 0.94 #QF 0.54)
&rst
ixpk= 3592, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1367,1376,
&end
#
# 83 TYR QD 122 GLU HG2 3.91 (#peak 3602 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3602, nxpk= 0, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1367,1376,
&end
#
# 83 TYR QD 122 GLU QB 3.94 (#peak 3603 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3603, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1367,1376,
igr2=2018,2019,
&end
#
# 83 TYR QD 102 LYS HD2 4.66 (#peak 3604 #SUP 0.83 #QF 0.83)
&rst
ixpk= 3604, nxpk= 0, iat= -1,1668, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1367,1376,
&end
#
# 83 TYR QD 102 LYS HD3 4.66 (#peak 3605 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3605, nxpk= 0, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1367,1376,
&end
#
# 60 ALA QB 83 TYR QD 4.37 (#peak 3608 #SUP 0.79 #QF 0.79)
&rst
ixpk= 3608, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 973, 974, 975,
igr2=1367,1376,
&end
#
# 82 ILE QG2 83 TYR QD 5.26 (#peak 3609 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3609, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=1346,1347,1348,
igr2=1367,1376,
&end
#
# 13 PHE QE 108 ILE QG2 3.69 (#peak 3611 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3611, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 184, 188,
igr2=1764,1765,1766,
&end
#
# 13 PHE QE 113 LEU HG 4.46 (#peak 3612 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3612, nxpk= 0, iat= -1,1856, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 184, 188,
&end
#
# 13 PHE QE 16 LEU HB2 5.50 (#peak 3613 #SUP 0.54 #QF 0.54)
&rst
ixpk= 3613, nxpk= 0, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 184, 188,
&end
#
# 13 PHE QE 17 GLU HB3 4.51 (#peak 3614 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3614, nxpk= 0, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 184, 188,
&end
#
# 13 PHE QE 17 GLU HB2 5.34 (#peak 3615 #SUP 0.99 #QF 0.63)
&rst
ixpk= 3615, nxpk= 0, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 184, 188,
&end
#
# 13 PHE QE 108 ILE HB 5.50 (#peak 3615 #SUP 0.99 #QF 0.63)
&rst
ixpk= 3615, nxpk= 0, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 184, 188,
&end
#
# 13 PHE QE 112 GLN QB 4.51 (#peak 3616 #SUP 0.92 #QF 0.82)
&rst
ixpk= 3616, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 184, 188,
igr2=1836,1837,
&end
#
# 13 PHE HA 13 PHE QE 5.00 (#peak 3620 #SUP 0.92 #QF 0.72)
&rst
ixpk= 3620, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 184, 188,
&end
#
# 13 PHE QE 108 ILE HA 5.37 (#peak 3620 #SUP 0.92 #QF 0.72)
&rst
ixpk= 3620, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 184, 188,
&end
#
# 13 PHE QE 14 GLN HA 5.50 (#peak 3621 #SUP 0.75 #QF 0.75)
&rst
ixpk= 3621, nxpk= 0, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 184, 188,
&end
#
# 13 PHE QE 113 LEU HA 5.08 (#peak 3622 #SUP 0.61 #QF 0.61)
&rst
ixpk= 3622, nxpk= 0, iat= -1,1851, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 184, 188,
&end
#
# 13 PHE QE 109 VAL HA 5.09 (#peak 3623 #SUP 0.64 #QF 0.64)
&rst
ixpk= 3623, nxpk= 0, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 184, 188,
&end
#
# 29 LEU HB2 62 TYR QD 3.97 (#peak 3632 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3632, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1011,1020,
&end
#
# 13 PHE QD 16 LEU HB2 4.61 (#peak 3633 #SUP 0.74 #QF 0.47)
&rst
ixpk= 3633, nxpk= 0, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 182, 190,
&end
#
# 13 PHE QD 108 ILE QG2 3.19 (#peak 3634 #SUP 0.63 #QF 0.63)
&rst
ixpk= 3634, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 182, 190,
igr2=1764,1765,1766,
&end
#
# 130 THR QG2 133 PHE QD 3.87 (#peak 3635 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3635, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=2133,2134,2135,
igr2=2171,2179,
&end
#
# 81 PHE QD 120 LYS QG 3.66 (#peak 3638 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3638, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1328,1336,
igr2=1980,1981,
&end
#
# 81 PHE HA 81 PHE QD 3.62 (#peak 3639 #SUP 1.00 #QF 0.92)
&rst
ixpk= 3639, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1328,1336,
&end
#
# 81 PHE QD 121 ILE H 4.51 (#peak 3640 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3640, nxpk= 0, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1328,1336,
&end
#
# 81 PHE QD 82 ILE H 4.23 (#peak 3641 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3641, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=1328,1336,
&end
#
# 81 PHE H 81 PHE QD 4.49 (#peak 3642 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3642, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1328,1336,
&end
#
# 62 TYR QD 81 PHE QD 4.89 (#peak 3643 #SUP 0.86 #QF 0.60)
&rst
ixpk= 3643, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1011,1020,
igr2=1328,1336,
&end
#
# 64 PHE QD 81 PHE QD 5.29 (#peak 3643 #SUP 0.86 #QF 0.60)
&rst
ixpk= 3643, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1049,1057,
igr2=1328,1336,
&end
#
# 81 PHE QD 120 LYS HB3 4.83 (#peak 3646 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3646, nxpk= 0, iat= -1,1978, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1328,1336,
&end
#
# 75 TYR HA 75 TYR QD 3.64 (#peak 3651 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3651, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1230,1239,
&end
#
# 70 SER HA 75 TYR QD 4.92 (#peak 3652 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3652, nxpk= 0, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1230,1239,
&end
#
# 75 TYR QD 76 LEU QD1 5.50 (#peak 3657 #SUP 0.94 #QF 0.89)
&rst
ixpk= 3657, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1230,1239,
igr2=1252,1253,1254,
&end
#
# 75 TYR QD 76 LEU QD2 5.50 (#peak 3657 #SUP 0.94 #QF 0.89)
&rst
ixpk= 3657, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1230,1239,
igr2=1256,1257,1258,
&end
#
# 70 SER QB 75 TYR QD 4.60 (#peak 3659 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3659, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1164,1165,
igr2=1230,1239,
&end
#
# 87 GLY QA 88 TYR QD 4.41 (#peak 3660 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3660, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1424,1425,
igr2=1437,1446,
&end
#
# 74 ASP HA 75 TYR QD 5.50 (#peak 3664 #SUP 0.36 #QF 0.36)
&rst
ixpk= 3664, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1230,1239,
&end
#
# 26 TYR QD 43 THR HB 4.68 (#peak 3665 #SUP 0.22 #QF 0.22)
&rst
ixpk= 3665, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 409, 418,
&end
#
# 26 TYR QD 45 ASN HA 4.97 (#peak 3667 #SUP 0.24 #QF 0.24)
&rst
ixpk= 3667, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 409, 418,
&end
#
# 86 PRO HB2 88 TYR QD 4.61 (#peak 3684 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3684, nxpk= 0, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1437,1446,
&end
#
# 86 PRO QG 88 TYR QD 4.54 (#peak 3685 #SUP 0.88 #QF 0.88)
&rst
ixpk= 3685, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1412,1413,
igr2=1437,1446,
&end
#
# 16 LEU HG 64 PHE QD 5.33 (#peak 3688 #SUP 0.86 #QF 0.82)
&rst
ixpk= 3688, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1049,1057,
&end
#
# 13 PHE QD 113 LEU HG 4.58 (#peak 3689 #SUP 0.44 #QF 0.44)
&rst
ixpk= 3689, nxpk= 0, iat= -1,1856, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 182, 190,
&end
#
# 13 PHE HA 13 PHE QD 3.87 (#peak 3690 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3690, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 182, 190,
&end
#
# 13 PHE QD 14 GLN HA 4.21 (#peak 3691 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3691, nxpk= 0, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 182, 190,
&end
#
# 75 TYR QD 76 LEU H 3.76 (#peak 3695 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3695, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1230,1239,
&end
#
# 26 TYR QD 27 VAL H 4.55 (#peak 3697 #SUP 0.21 #QF 0.21)
&rst
ixpk= 3697, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 409, 418,
&end
#
# 69 HIS HD2 135 TYR QD 4.60 (#peak 3702 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3702, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2210,2219,
&end
#
# 55 ILE H 63 HIS HE1 5.50 (#peak 3711 #SUP 0.68 #QF 0.68)
&rst
ixpk= 3711, nxpk= 0, iat= 891,1034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ILE HA 63 HIS HE1 4.35 (#peak 3712 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3712, nxpk= 0, iat= 893,1034, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 28 GLN HG2 63 HIS HE1 5.50 (#peak 3714 #SUP 0.64 #QF 0.64)
&rst
ixpk= 3714, nxpk= 0, iat= 445,1034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 HIS HE1 76 LEU HB2 5.19 (#peak 3724 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3724, nxpk= 0, iat=1181,1247, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 71 HIS HE1 76 LEU QD1 5.01 (#peak 3725 #SUP 0.91 #QF 0.85)
&rst
ixpk= 3725, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1252,1253,1254,
&end
#
# 71 HIS HE1 76 LEU QD2 5.01 (#peak 3725 #SUP 0.91 #QF 0.85)
&rst
ixpk= 3725, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1256,1257,1258,
&end
#
# 71 HIS HE1 76 LEU HB3 5.19 (#peak 3726 #SUP 0.85 #QF 0.85)
&rst
ixpk= 3726, nxpk= 0, iat=1181,1248, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 139 HIS QB 139 HIS HE1 4.85 (#peak 3728 #SUP 0.88 #QF 0.88)
&rst
ixpk= 3728, nxpk= 0, iat= -1,2276, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=2270,2271,
&end
#
# 81 PHE HZ 102 LYS QE 4.91 (#peak 3730 #SUP 0.46 #QF 0.46)
&rst
ixpk= 3730, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1671,1672,
&end
#
# 81 PHE HZ 102 LYS HB3 4.84 (#peak 3731 #SUP 0.65 #QF 0.30)
&rst
ixpk= 3731, nxpk= 0, iat=1332,1663, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 81 PHE HZ 102 LYS HG2 4.73 (#peak 3732 #SUP 0.48 #QF 0.48)
&rst
ixpk= 3732, nxpk= 0, iat=1332,1665, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 88 TYR H 88 TYR QE 4.73 (#peak 3746 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3746, nxpk= 0, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1439,1444,
&end
#
# 86 PRO QG 88 TYR QE 4.49 (#peak 3753 #SUP 0.88 #QF 0.88)
&rst
ixpk= 3753, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1412,1413,
igr2=1439,1444,
&end
#
# 62 TYR H 62 TYR QD 4.95 (#peak 3763 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3763, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1011,1020,
&end
#
# 69 HIS H 75 TYR QD 5.17 (#peak 3769 #SUP 0.59 #QF 0.59)
&rst
ixpk= 3769, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1230,1239,
&end
#
# 2 GLN QB 2 GLN QE2 3.73 (#peak 1862)
&rst
ixpk= 1862, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 18, 19,
igr2= 26, 27,
&end
#
# 3 GLY QA 4 VAL QQG 4.44 (#peak 2079)
&rst
ixpk= 2079, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 33, 34,
igr2= 44, 45, 46, 48, 49, 50,
&end
#
# 4 VAL H 4 VAL QQG 3.42 (#peak 1528)
&rst
ixpk= 1528, nxpk= 0, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 44, 45, 46, 48, 49, 50,
&end
#
# 4 VAL HA 4 VAL QQG 3.14 (#peak 2633)
&rst
ixpk= 2633, nxpk= 0, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 44, 45, 46, 48, 49, 50,
&end
#
# 4 VAL QQG 5 ALA H 3.81 (#peak 437)
&rst
ixpk= 437, nxpk= 0, iat= -1, 54, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 44, 45, 46, 48, 49, 50,
&end
#
# 4 VAL QQG 5 ALA HA 4.22 (#peak 2222)
&rst
ixpk= 2222, nxpk= 0, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 44, 45, 46, 48, 49, 50,
&end
#
# 4 VAL QQG 6 PHE QE 3.70 (#peak 436)
&rst
ixpk= 436, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 44, 45, 46, 48, 49, 50,
igr2= 74, 78,
&end
#
# 4 VAL QQG 100 SER HA 5.01 (#peak 389)
&rst
ixpk= 389, nxpk= 0, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 44, 45, 46, 48, 49, 50,
&end
#
# 5 ALA HA 104 PRO QB 4.46 (#peak 2216)
&rst
ixpk= 2216, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1698,1699,
&end
#
# 5 ALA QB 104 PRO QB 3.36 (#peak 297)
&rst
ixpk= 297, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 58, 59, 60,
igr2=1698,1699,
&end
#
# 6 PHE H 7 PRO QD 4.76 (#peak 1344)
&rst
ixpk= 1344, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 85, 86,
&end
#
# 6 PHE H 104 PRO QB 4.06 (#peak 1337)
&rst
ixpk= 1337, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1698,1699,
&end
#
# 6 PHE HA 7 PRO QD 3.28 (#peak 2250)
&rst
ixpk= 2250, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 85, 86,
&end
#
# 6 PHE QB 7 PRO QD 3.90 (#peak 2175)
&rst
ixpk= 2175, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 68, 69,
igr2= 85, 86,
&end
#
# 6 PHE QD 7 PRO QD 4.10 (#peak 3568)
&rst
ixpk= 3568, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 72, 80,
igr2= 85, 86,
&end
#
# 6 PHE QE 36 GLU QG 4.17 (#peak 3553)
&rst
ixpk= 3553, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 74, 78,
igr2= 582, 583,
&end
#
# 8 ILE HG12 9 SER QB 4.27 (#peak 1077)
&rst
ixpk= 1077, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 121, 122,
&end
#
# 8 ILE QD1 9 SER QB 4.94 (#peak 151)
&rst
ixpk= 151, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 111, 112, 113,
igr2= 121, 122,
&end
#
# 9 SER H 9 SER QB 3.29 (#peak 1293)
&rst
ixpk= 1293, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 121, 122,
&end
#
# 9 SER QB 12 ALA H 4.43 (#peak 262)
&rst
ixpk= 262, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 121, 122,
&end
#
# 9 SER QB 37 THR QG2 3.51 (#peak 391)
&rst
ixpk= 391, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 121, 122,
igr2= 596, 597, 598,
&end
#
# 9 SER QB 39 ILE HA 4.21 (#peak 2869)
&rst
ixpk= 2869, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 121, 122,
&end
#
# 9 SER QB 39 ILE QG2 3.29 (#peak 2688)
&rst
ixpk= 2688, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 121, 122,
igr2= 629, 630, 631,
&end
#
# 10 ARG HA 10 ARG QG 3.55 (#peak 940)
&rst
ixpk= 940, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 135, 136,
&end
#
# 10 ARG QG 11 ASP H 4.12 (#peak 581)
&rst
ixpk= 581, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 135, 136,
&end
#
# 10 ARG QG 12 ALA H 5.34 (#peak 247)
&rst
ixpk= 247, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 135, 136,
&end
#
# 10 ARG QG 13 PHE HB3 5.34 (#peak 1770)
&rst
ixpk= 1770, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 135, 136,
&end
#
# 10 ARG QG 14 GLN QG 3.61 (#peak 945)
&rst
ixpk= 945, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 135, 136,
igr2= 201, 202,
&end
#
# 10 ARG QD 14 GLN QG 4.21 (#peak 1585)
&rst
ixpk= 1585, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 138, 139,
igr2= 201, 202,
&end
#
# 10 ARG QD 14 GLN QE2 5.10 (#peak 1815)
&rst
ixpk= 1815, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 138, 139,
igr2= 206, 207,
&end
#
# 11 ASP H 40 LEU QQD 5.08 (#peak 583)
&rst
ixpk= 583, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2= 651, 652, 653, 655, 656, 657,
&end
#
# 11 ASP HA 14 GLN QG 4.44 (#peak 1583)
&rst
ixpk= 1583, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 201, 202,
&end
#
# 11 ASP HA 40 LEU QQD 4.21 (#peak 2393)
&rst
ixpk= 2393, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 651, 652, 653, 655, 656, 657,
&end
#
# 11 ASP QB 29 LEU QQD 5.28 (#peak 784)
&rst
ixpk= 784, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 156, 157,
igr2= 464, 465, 466, 468, 469, 470,
&end
#
# 11 ASP QB 40 LEU QQD 3.35 (#peak 1734)
&rst
ixpk= 1734, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 156, 157,
igr2= 651, 652, 653, 655, 656, 657,
&end
#
# 12 ALA H 29 LEU QQD 4.91 (#peak 249)
&rst
ixpk= 249, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 464, 465, 466, 468, 469, 470,
&end
#
# 12 ALA H 40 LEU QQD 5.18 (#peak 249)
&rst
ixpk= 249, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2= 651, 652, 653, 655, 656, 657,
&end
#
# 12 ALA HA 29 LEU QQD 3.22 (#peak 2920)
&rst
ixpk= 2920, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 464, 465, 466, 468, 469, 470,
&end
#
# 12 ALA HA 40 LEU QQD 3.42 (#peak 726)
&rst
ixpk= 726, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 651, 652, 653, 655, 656, 657,
&end
#
# 12 ALA QB 29 LEU QQD 2.77 (#peak 270)
&rst
ixpk= 270, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 168, 169, 170,
igr2= 464, 465, 466, 468, 469, 470,
&end
#
# 13 PHE H 14 GLN QG 5.01 (#peak 1425)
&rst
ixpk= 1425, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 201, 202,
&end
#
# 13 PHE H 16 LEU QQD 5.30 (#peak 1426)
&rst
ixpk= 1426, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr2= 230, 231, 232, 234, 235, 236,
&end
#
# 13 PHE HA 16 LEU QQD 3.75 (#peak 810)
&rst
ixpk= 810, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 230, 231, 232, 234, 235, 236,
&end
#
# 13 PHE QD 14 GLN QG 4.35 (#peak 1590)
&rst
ixpk= 1590, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 182, 190,
igr2= 201, 202,
&end
#
# 13 PHE QE 112 GLN QG 4.84 (#peak 3616)
&rst
ixpk= 3616, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 184, 188,
igr2=1839,1840,
&end
#
# 13 PHE QE 112 GLN QE2 4.76 (#peak 1149)
&rst
ixpk= 1149, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 184, 188,
igr2=1844,1845,
&end
#
# 13 PHE QE 113 LEU QB 5.34 (#peak 3615)
&rst
ixpk= 3615, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 184, 188,
igr2=1853,1854,
&end
#
# 13 PHE QE 113 LEU QQD 4.08 (#peak 3610)
&rst
ixpk= 3610, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 184, 188,
igr2=1858,1859,1860,1862,1863,1864,
&end
#
# 13 PHE HZ 112 GLN QG 4.10 (#peak 1561)
&rst
ixpk= 1561, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1839,1840,
&end
#
# 13 PHE HZ 112 GLN QE2 5.34 (#peak 3765)
&rst
ixpk= 3765, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1844,1845,
&end
#
# 13 PHE HZ 113 LEU QQD 3.34 (#peak 690)
&rst
ixpk= 690, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1858,1859,1860,1862,1863,1864,
&end
#
# 14 GLN H 14 GLN QG 3.22 (#peak 1579)
&rst
ixpk= 1579, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 201, 202,
&end
#
# 14 GLN H 16 LEU QQD 5.44 (#peak 840)
&rst
ixpk= 840, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 230, 231, 232, 234, 235, 236,
&end
#
# 14 GLN H 40 LEU QQD 4.51 (#peak 1615)
&rst
ixpk= 1615, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 651, 652, 653, 655, 656, 657,
&end
#
# 14 GLN HA 14 GLN QG 3.19 (#peak 1454)
&rst
ixpk= 1454, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 201, 202,
&end
#
# 14 GLN HB2 14 GLN QE2 4.75 (#peak 1825)
&rst
ixpk= 1825, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 206, 207,
&end
#
# 14 GLN QG 14 GLN QE2 3.16 (#peak 1824)
&rst
ixpk= 1824, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 201, 202,
igr2= 206, 207,
&end
#
# 14 GLN QG 15 ALA H 4.58 (#peak 1340)
&rst
ixpk= 1340, nxpk= 0, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 201, 202,
&end
#
# 15 ALA H 16 LEU QQD 4.68 (#peak 830)
&rst
ixpk= 830, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2= 230, 231, 232, 234, 235, 236,
&end
#
# 15 ALA H 40 LEU QQD 3.69 (#peak 1036)
&rst
ixpk= 1036, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 651, 652, 653, 655, 656, 657,
&end
#
# 15 ALA HA 24 LEU QQD 3.42 (#peak 3239)
&rst
ixpk= 3239, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 377, 378, 379, 381, 382, 383,
&end
#
# 15 ALA HA 40 LEU QQD 4.24 (#peak 2919)
&rst
ixpk= 2919, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 651, 652, 653, 655, 656, 657,
&end
#
# 15 ALA QB 27 VAL QQG 3.22 (#peak 429)
&rst
ixpk= 429, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 215, 216, 217,
igr2= 428, 429, 430, 432, 433, 434,
&end
#
# 15 ALA QB 40 LEU QQD 2.75 (#peak 295)
&rst
ixpk= 295, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 215, 216, 217,
igr2= 651, 652, 653, 655, 656, 657,
&end
#
# 16 LEU H 16 LEU QQD 3.48 (#peak 1473)
&rst
ixpk= 1473, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 230, 231, 232, 234, 235, 236,
&end
#
# 16 LEU H 24 LEU QQD 5.07 (#peak 3288)
&rst
ixpk= 3288, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2= 377, 378, 379, 381, 382, 383,
&end
#
# 16 LEU H 27 VAL QQG 3.73 (#peak 1474)
&rst
ixpk= 1474, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 428, 429, 430, 432, 433, 434,
&end
#
# 16 LEU H 29 LEU QQD 5.16 (#peak 799)
&rst
ixpk= 799, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr2= 464, 465, 466, 468, 469, 470,
&end
#
# 16 LEU H 40 LEU QQD 5.16 (#peak 723)
&rst
ixpk= 723, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr2= 651, 652, 653, 655, 656, 657,
&end
#
# 16 LEU H 113 LEU QQD 5.21 (#peak 3299)
&rst
ixpk= 3299, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr2=1858,1859,1860,1862,1863,1864,
&end
#
# 16 LEU HA 16 LEU QQD 3.18 (#peak 529)
&rst
ixpk= 529, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 230, 231, 232, 234, 235, 236,
&end
#
# 16 LEU HA 19 LEU QQD 3.65 (#peak 2436)
&rst
ixpk= 2436, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 286, 287, 288, 290, 291, 292,
&end
#
# 16 LEU HA 27 VAL QQG 3.50 (#peak 667)
&rst
ixpk= 667, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 428, 429, 430, 432, 433, 434,
&end
#
# 16 LEU HB2 16 LEU QQD 2.95 (#peak 823)
&rst
ixpk= 823, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 230, 231, 232, 234, 235, 236,
&end
#
# 16 LEU HB3 113 LEU QQD 3.79 (#peak 3059)
&rst
ixpk= 3059, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1858,1859,1860,1862,1863,1864,
&end
#
# 16 LEU HG 27 VAL QQG 4.41 (#peak 3255)
&rst
ixpk= 3255, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 428, 429, 430, 432, 433, 434,
&end
#
# 16 LEU QQD 17 GLU H 4.41 (#peak 374)
&rst
ixpk= 374, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 230, 231, 232, 234, 235, 236,
&end
#
# 16 LEU QQD 19 LEU H 4.51 (#peak 1039)
&rst
ixpk= 1039, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 230, 231, 232, 234, 235, 236,
&end
#
# 16 LEU QQD 19 LEU HA 5.44 (#peak 533)
&rst
ixpk= 533, nxpk= 0, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 230, 231, 232, 234, 235, 236,
&end
#
# 16 LEU QQD 19 LEU HB2 3.81 (#peak 556)
&rst
ixpk= 556, nxpk= 0, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 230, 231, 232, 234, 235, 236,
&end
#
# 16 LEU QQD 19 LEU HB3 3.90 (#peak 531)
&rst
ixpk= 531, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 230, 231, 232, 234, 235, 236,
&end
#
# 16 LEU QQD 19 LEU QQD 2.89 (#peak 535)
&rst
ixpk= 535, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 230, 231, 232, 234, 235, 236,
igr2= 286, 287, 288, 290, 291, 292,
&end
#
# 16 LEU QQD 27 VAL HB 4.31 (#peak 1705)
&rst
ixpk= 1705, nxpk= 0, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 230, 231, 232, 234, 235, 236,
&end
#
# 16 LEU QQD 27 VAL QQG 3.38 (#peak 431)
&rst
ixpk= 431, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 230, 231, 232, 234, 235, 236,
igr2= 428, 429, 430, 432, 433, 434,
&end
#
# 16 LEU QQD 29 LEU QQD 3.17 (#peak 536)
&rst
ixpk= 536, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 230, 231, 232, 234, 235, 236,
igr2= 464, 465, 466, 468, 469, 470,
&end
#
# 16 LEU QQD 64 PHE HA 5.04 (#peak 532)
&rst
ixpk= 532, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 230, 231, 232, 234, 235, 236,
&end
#
# 16 LEU QQD 64 PHE QB 3.89 (#peak 530)
&rst
ixpk= 530, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 230, 231, 232, 234, 235, 236,
igr2=1045,1046,
&end
#
# 16 LEU QQD 109 VAL QQG 3.08 (#peak 535)
&rst
ixpk= 535, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 230, 231, 232, 234, 235, 236,
igr2=1783,1784,1785,1787,1788,1789,
&end
#
# 17 GLU H 113 LEU QQD 3.56 (#peak 689)
&rst
ixpk= 689, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1858,1859,1860,1862,1863,1864,
&end
#
# 17 GLU HA 21 LYS QD 5.00 (#peak 2548)
&rst
ixpk= 2548, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 317, 318,
&end
#
# 17 GLU HA 113 LEU QQD 3.26 (#peak 705)
&rst
ixpk= 705, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1858,1859,1860,1862,1863,1864,
&end
#
# 17 GLU HB2 113 LEU QQD 3.48 (#peak 707)
&rst
ixpk= 707, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1858,1859,1860,1862,1863,1864,
&end
#
# 17 GLU HB3 113 LEU QQD 3.24 (#peak 708)
&rst
ixpk= 708, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1858,1859,1860,1862,1863,1864,
&end
#
# 18 LYS H 24 LEU QQD 4.44 (#peak 3294)
&rst
ixpk= 3294, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 377, 378, 379, 381, 382, 383,
&end
#
# 18 LYS H 27 VAL QQG 4.94 (#peak 1086)
&rst
ixpk= 1086, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2= 428, 429, 430, 432, 433, 434,
&end
#
# 18 LYS HA 24 LEU QQD 4.81 (#peak 633)
&rst
ixpk= 633, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr2= 377, 378, 379, 381, 382, 383,
&end
#
# 18 LYS HB2 24 LEU QQD 3.28 (#peak 3293)
&rst
ixpk= 3293, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 377, 378, 379, 381, 382, 383,
&end
#
# 19 LEU H 19 LEU QQD 4.17 (#peak 1206)
&rst
ixpk= 1206, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU H 24 LEU QQD 4.05 (#peak 1040)
&rst
ixpk= 1040, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 377, 378, 379, 381, 382, 383,
&end
#
# 19 LEU H 79 VAL QQG 5.44 (#peak 619)
&rst
ixpk= 619, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 19 LEU HA 19 LEU QQD 3.03 (#peak 764)
&rst
ixpk= 764, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU HB2 19 LEU QQD 2.84 (#peak 774)
&rst
ixpk= 774, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU HB2 27 VAL QQG 2.60 (#peak 672)
&rst
ixpk= 672, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 428, 429, 430, 432, 433, 434,
&end
#
# 19 LEU HB3 19 LEU QQD 2.92 (#peak 771)
&rst
ixpk= 771, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU HG 79 VAL QQG 4.32 (#peak 595)
&rst
ixpk= 595, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 19 LEU QQD 20 SER H 4.05 (#peak 562)
&rst
ixpk= 562, nxpk= 0, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU QQD 22 LYS HA 4.41 (#peak 765)
&rst
ixpk= 765, nxpk= 0, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU QQD 23 GLN H 4.82 (#peak 1601)
&rst
ixpk= 1601, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU QQD 24 LEU H 3.90 (#peak 757)
&rst
ixpk= 757, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU QQD 24 LEU HB2 4.79 (#peak 2152)
&rst
ixpk= 2152, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU QQD 24 LEU HB3 4.82 (#peak 2151)
&rst
ixpk= 2151, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU QQD 25 ASN H 3.98 (#peak 732)
&rst
ixpk= 732, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU QQD 25 ASN HA 3.28 (#peak 760)
&rst
ixpk= 760, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU QQD 25 ASN QB 4.06 (#peak 766)
&rst
ixpk= 766, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 286, 287, 288, 290, 291, 292,
igr2= 391, 392,
&end
#
# 19 LEU QQD 26 TYR H 3.98 (#peak 1008)
&rst
ixpk= 1008, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU QQD 26 TYR HA 4.51 (#peak 759)
&rst
ixpk= 759, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU QQD 27 VAL H 3.66 (#peak 755)
&rst
ixpk= 755, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU QQD 27 VAL HB 4.16 (#peak 1702)
&rst
ixpk= 1702, nxpk= 0, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU QQD 64 PHE HA 4.07 (#peak 1198)
&rst
ixpk= 1198, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU QQD 64 PHE QB 2.91 (#peak 1189)
&rst
ixpk= 1189, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 286, 287, 288, 290, 291, 292,
igr2=1045,1046,
&end
#
# 19 LEU QQD 64 PHE QD 3.50 (#peak 1197)
&rst
ixpk= 1197, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 286, 287, 288, 290, 291, 292,
igr2=1049,1057,
&end
#
# 19 LEU QQD 65 PHE H 4.08 (#peak 762)
&rst
ixpk= 762, nxpk= 0, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU QQD 65 PHE HA 4.23 (#peak 2347)
&rst
ixpk= 2347, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU QQD 65 PHE HB2 5.44 (#peak 2063)
&rst
ixpk= 2063, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU QQD 66 LEU H 4.02 (#peak 32)
&rst
ixpk= 32, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU QQD 79 VAL HA 4.46 (#peak 1216)
&rst
ixpk= 1216, nxpk= 0, iat= -1,1290, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 286, 287, 288, 290, 291, 292,
&end
#
# 19 LEU QQD 79 VAL QQG 2.65 (#peak 600)
&rst
ixpk= 600, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 286, 287, 288, 290, 291, 292,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 19 LEU QQD 80 VAL H 5.06 (#peak 763)
&rst
ixpk= 763, nxpk= 0, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 286, 287, 288, 290, 291, 292,
&end
#
# 20 SER H 21 LYS QD 3.76 (#peak 557)
&rst
ixpk= 557, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 317, 318,
&end
#
# 20 SER H 113 LEU QQD 4.32 (#peak 563)
&rst
ixpk= 563, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1858,1859,1860,1862,1863,1864,
&end
#
# 20 SER HA 79 VAL QQG 3.78 (#peak 596)
&rst
ixpk= 596, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 20 SER HA 115 MET QB 3.96 (#peak 2639)
&rst
ixpk= 2639, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1889,1890,
&end
#
# 20 SER HA 115 MET QG 3.49 (#peak 1338)
&rst
ixpk= 1338, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1892,1893,
&end
#
# 20 SER QB 21 LYS QD 3.81 (#peak 2651)
&rst
ixpk= 2651, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 300, 301,
igr2= 317, 318,
&end
#
# 20 SER QB 113 LEU QB 4.49 (#peak 1957)
&rst
ixpk= 1957, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 300, 301,
igr2=1853,1854,
&end
#
# 20 SER QB 113 LEU QQD 4.20 (#peak 3295)
&rst
ixpk= 3295, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 300, 301,
igr2=1858,1859,1860,1862,1863,1864,
&end
#
# 21 LYS H 21 LYS QB 3.35 (#peak 2047)
&rst
ixpk= 2047, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 311, 312,
&end
#
# 21 LYS H 21 LYS QG 4.13 (#peak 914)
&rst
ixpk= 914, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 314, 315,
&end
#
# 21 LYS H 21 LYS QD 3.70 (#peak 1263)
&rst
ixpk= 1263, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 317, 318,
&end
#
# 21 LYS H 79 VAL QQG 5.44 (#peak 2046)
&rst
ixpk= 2046, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 21 LYS HA 21 LYS QG 3.54 (#peak 2914)
&rst
ixpk= 2914, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 314, 315,
&end
#
# 21 LYS HA 21 LYS QD 3.64 (#peak 1084)
&rst
ixpk= 1084, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 317, 318,
&end
#
# 21 LYS QB 21 LYS QD 3.21 (#peak 1140)
&rst
ixpk= 1140, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 311, 312,
igr2= 317, 318,
&end
#
# 21 LYS QB 21 LYS QE 3.94 (#peak 1411)
&rst
ixpk= 1411, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 311, 312,
igr2= 320, 321,
&end
#
# 21 LYS QB 22 LYS H 4.22 (#peak 1886)
&rst
ixpk= 1886, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 311, 312,
&end
#
# 21 LYS QB 23 GLN H 5.03 (#peak 573)
&rst
ixpk= 573, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 311, 312,
&end
#
# 21 LYS QB 23 GLN QE2 3.41 (#peak 1790)
&rst
ixpk= 1790, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 311, 312,
igr2= 363, 364,
&end
#
# 21 LYS QG 21 LYS QE 3.64 (#peak 916)
&rst
ixpk= 916, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 314, 315,
igr2= 320, 321,
&end
#
# 21 LYS QG 23 GLN QE2 4.71 (#peak 1791)
&rst
ixpk= 1791, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 314, 315,
igr2= 363, 364,
&end
#
# 21 LYS QE 23 GLN QE2 4.57 (#peak 1666)
&rst
ixpk= 1666, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 320, 321,
igr2= 363, 364,
&end
#
# 22 LYS H 22 LYS QG 3.46 (#peak 1888)
&rst
ixpk= 1888, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 336, 337,
&end
#
# 22 LYS H 66 LEU QQD 4.78 (#peak 1890)
&rst
ixpk= 1890, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1090,1091,1092,1094,1095,1096,
&end
#
# 22 LYS HA 22 LYS QG 3.51 (#peak 896)
&rst
ixpk= 896, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 336, 337,
&end
#
# 22 LYS HA 66 LEU QQD 4.15 (#peak 693)
&rst
ixpk= 693, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1090,1091,1092,1094,1095,1096,
&end
#
# 22 LYS QB 23 GLN H 4.35 (#peak 1602)
&rst
ixpk= 1602, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 333, 334,
&end
#
# 22 LYS QB 66 LEU QQD 4.58 (#peak 1230)
&rst
ixpk= 1230, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 333, 334,
igr2=1090,1091,1092,1094,1095,1096,
&end
#
# 22 LYS QB 68 LYS QE 5.20 (#peak 1224)
&rst
ixpk= 1224, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 333, 334,
igr2=1134,1135,
&end
#
# 22 LYS QG 22 LYS QE 3.65 (#peak 895)
&rst
ixpk= 895, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 336, 337,
igr2= 342, 343,
&end
#
# 22 LYS QG 23 GLN H 5.34 (#peak 576)
&rst
ixpk= 576, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 336, 337,
&end
#
# 22 LYS QG 66 LEU QQD 3.48 (#peak 701)
&rst
ixpk= 701, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 336, 337,
igr2=1090,1091,1092,1094,1095,1096,
&end
#
# 22 LYS QD 66 LEU QQD 4.08 (#peak 1172)
&rst
ixpk= 1172, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 339, 340,
igr2=1090,1091,1092,1094,1095,1096,
&end
#
# 22 LYS QE 66 LEU QQD 4.53 (#peak 696)
&rst
ixpk= 696, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 342, 343,
igr2=1090,1091,1092,1094,1095,1096,
&end
#
# 23 GLN H 23 GLN QB 3.14 (#peak 572)
&rst
ixpk= 572, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 355, 356,
&end
#
# 23 GLN H 24 LEU QQD 4.20 (#peak 575)
&rst
ixpk= 575, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 377, 378, 379, 381, 382, 383,
&end
#
# 23 GLN HA 23 GLN QE2 4.30 (#peak 1793)
&rst
ixpk= 1793, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 363, 364,
&end
#
# 23 GLN QB 24 LEU H 3.33 (#peak 767)
&rst
ixpk= 767, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 355, 356,
&end
#
# 23 GLN QB 24 LEU QQD 2.88 (#peak 1111)
&rst
ixpk= 1111, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 355, 356,
igr2= 377, 378, 379, 381, 382, 383,
&end
#
# 23 GLN HG2 23 GLN QE2 3.27 (#peak 1796)
&rst
ixpk= 1796, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 363, 364,
&end
#
# 23 GLN HG3 23 GLN QE2 3.24 (#peak 1797)
&rst
ixpk= 1797, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 363, 364,
&end
#
# 24 LEU H 24 LEU QQD 3.68 (#peak 769)
&rst
ixpk= 769, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 377, 378, 379, 381, 382, 383,
&end
#
# 24 LEU HA 24 LEU QQD 3.38 (#peak 2282)
&rst
ixpk= 2282, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 377, 378, 379, 381, 382, 383,
&end
#
# 24 LEU HB2 27 VAL QQG 4.96 (#peak 2152)
&rst
ixpk= 2152, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2= 428, 429, 430, 432, 433, 434,
&end
#
# 24 LEU QQD 25 ASN QB 5.28 (#peak 634)
&rst
ixpk= 634, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 377, 378, 379, 381, 382, 383,
igr2= 391, 392,
&end
#
# 24 LEU QQD 26 TYR H 4.10 (#peak 1010)
&rst
ixpk= 1010, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 377, 378, 379, 381, 382, 383,
&end
#
# 24 LEU QQD 27 VAL H 5.44 (#peak 1041)
&rst
ixpk= 1041, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 377, 378, 379, 381, 382, 383,
&end
#
# 24 LEU QQD 27 VAL QQG 3.27 (#peak 3302)
&rst
ixpk= 3302, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 377, 378, 379, 381, 382, 383,
igr2= 428, 429, 430, 432, 433, 434,
&end
#
# 24 LEU QQD 43 THR HA 4.31 (#peak 2861)
&rst
ixpk= 2861, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 377, 378, 379, 381, 382, 383,
&end
#
# 24 LEU QQD 43 THR HB 3.76 (#peak 3240)
&rst
ixpk= 3240, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 377, 378, 379, 381, 382, 383,
&end
#
# 24 LEU QQD 43 THR QG2 3.28 (#peak 892)
&rst
ixpk= 892, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 377, 378, 379, 381, 382, 383,
igr2= 691, 692, 693,
&end
#
# 25 ASN H 25 ASN QB 3.67 (#peak 725)
&rst
ixpk= 725, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 391, 392,
&end
#
# 25 ASN QB 26 TYR H 4.20 (#peak 960)
&rst
ixpk= 960, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 391, 392,
&end
#
# 25 ASN QB 65 PHE HA 5.34 (#peak 2348)
&rst
ixpk= 2348, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 391, 392,
&end
#
# 25 ASN QB 66 LEU H 3.80 (#peak 28)
&rst
ixpk= 28, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 391, 392,
&end
#
# 25 ASN QB 66 LEU QQD 3.36 (#peak 3265)
&rst
ixpk= 3265, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 391, 392,
igr2=1090,1091,1092,1094,1095,1096,
&end
#
# 25 ASN HD22 26 TYR QB 4.61 (#peak 1827)
&rst
ixpk= 1827, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 405, 406,
&end
#
# 26 TYR H 26 TYR QB 3.63 (#peak 961)
&rst
ixpk= 961, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 405, 406,
&end
#
# 26 TYR H 27 VAL QQG 4.26 (#peak 1008)
&rst
ixpk= 1008, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 428, 429, 430, 432, 433, 434,
&end
#
# 26 TYR HA 51 LEU QQD 5.22 (#peak 546)
&rst
ixpk= 546, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2= 821, 822, 823, 825, 826, 827,
&end
#
# 26 TYR QB 43 THR HA 5.02 (#peak 2864)
&rst
ixpk= 2864, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 405, 406,
&end
#
# 26 TYR QB 46 THR H 3.86 (#peak 101)
&rst
ixpk= 101, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 405, 406,
&end
#
# 26 TYR QB 46 THR HB 3.65 (#peak 2834)
&rst
ixpk= 2834, nxpk= 0, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 405, 406,
&end
#
# 26 TYR QB 46 THR QG2 4.18 (#peak 379)
&rst
ixpk= 379, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 405, 406,
igr2= 734, 735, 736,
&end
#
# 26 TYR QD 27 VAL QQG 4.11 (#peak 658)
&rst
ixpk= 658, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 409, 418,
igr2= 428, 429, 430, 432, 433, 434,
&end
#
# 27 VAL H 27 VAL QQG 3.22 (#peak 660)
&rst
ixpk= 660, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 428, 429, 430, 432, 433, 434,
&end
#
# 27 VAL H 29 LEU QQD 5.44 (#peak 1041)
&rst
ixpk= 1041, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 464, 465, 466, 468, 469, 470,
&end
#
# 27 VAL QQG 28 GLN H 3.33 (#peak 152)
&rst
ixpk= 152, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 428, 429, 430, 432, 433, 434,
&end
#
# 27 VAL QQG 29 LEU H 4.46 (#peak 132)
&rst
ixpk= 132, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 428, 429, 430, 432, 433, 434,
&end
#
# 27 VAL QQG 29 LEU HA 4.65 (#peak 450)
&rst
ixpk= 450, nxpk= 0, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 428, 429, 430, 432, 433, 434,
&end
#
# 27 VAL QQG 29 LEU HB2 4.80 (#peak 430)
&rst
ixpk= 430, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 428, 429, 430, 432, 433, 434,
&end
#
# 27 VAL QQG 29 LEU HG 3.75 (#peak 428)
&rst
ixpk= 428, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 428, 429, 430, 432, 433, 434,
&end
#
# 27 VAL QQG 41 ALA H 4.59 (#peak 1212)
&rst
ixpk= 1212, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 428, 429, 430, 432, 433, 434,
&end
#
# 27 VAL QQG 42 ASN H 4.46 (#peak 1698)
&rst
ixpk= 1698, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 428, 429, 430, 432, 433, 434,
&end
#
# 27 VAL QQG 43 THR HA 3.80 (#peak 664)
&rst
ixpk= 664, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 428, 429, 430, 432, 433, 434,
&end
#
# 27 VAL QQG 64 PHE QB 3.98 (#peak 427)
&rst
ixpk= 427, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 428, 429, 430, 432, 433, 434,
igr2=1045,1046,
&end
#
# 27 VAL QQG 64 PHE QD 3.92 (#peak 449)
&rst
ixpk= 449, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 428, 429, 430, 432, 433, 434,
igr2=1049,1057,
&end
#
# 28 GLN H 29 LEU QQD 4.12 (#peak 807)
&rst
ixpk= 807, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 464, 465, 466, 468, 469, 470,
&end
#
# 28 GLN H 40 LEU QQD 5.20 (#peak 3313)
&rst
ixpk= 3313, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 651, 652, 653, 655, 656, 657,
&end
#
# 28 GLN H 42 ASN QB 4.65 (#peak 153)
&rst
ixpk= 153, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 675, 676,
&end
#
# 28 GLN HA 29 LEU QQD 4.97 (#peak 2277)
&rst
ixpk= 2277, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 464, 465, 466, 468, 469, 470,
&end
#
# 28 GLN HA 40 LEU QQD 5.44 (#peak 2277)
&rst
ixpk= 2277, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 651, 652, 653, 655, 656, 657,
&end
#
# 29 LEU H 29 LEU QQD 3.65 (#peak 131)
&rst
ixpk= 131, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 464, 465, 466, 468, 469, 470,
&end
#
# 29 LEU HA 29 LEU QQD 3.24 (#peak 796)
&rst
ixpk= 796, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 464, 465, 466, 468, 469, 470,
&end
#
# 29 LEU HA 30 GLU QB 5.34 (#peak 1603)
&rst
ixpk= 1603, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 478, 479,
&end
#
# 29 LEU HA 40 LEU QQD 3.89 (#peak 724)
&rst
ixpk= 724, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 651, 652, 653, 655, 656, 657,
&end
#
# 29 LEU HB3 40 LEU QQD 4.81 (#peak 2132)
&rst
ixpk= 2132, nxpk= 0, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr2= 651, 652, 653, 655, 656, 657,
&end
#
# 29 LEU QQD 30 GLU H 3.68 (#peak 800)
&rst
ixpk= 800, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 464, 465, 466, 468, 469, 470,
&end
#
# 29 LEU QQD 40 LEU HA 3.23 (#peak 2940)
&rst
ixpk= 2940, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 464, 465, 466, 468, 469, 470,
&end
#
# 29 LEU QQD 41 ALA H 4.48 (#peak 807)
&rst
ixpk= 807, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 464, 465, 466, 468, 469, 470,
&end
#
# 29 LEU QQD 42 ASN H 5.02 (#peak 798)
&rst
ixpk= 798, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 464, 465, 466, 468, 469, 470,
&end
#
# 29 LEU QQD 62 TYR HB2 3.89 (#peak 1036)
&rst
ixpk= 1036, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 464, 465, 466, 468, 469, 470,
&end
#
# 29 LEU QQD 62 TYR QD 5.44 (#peak 797)
&rst
ixpk= 797, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1= 464, 465, 466, 468, 469, 470,
igr2=1011,1020,
&end
#
# 29 LEU QQD 63 HIS H 4.99 (#peak 1555)
&rst
ixpk= 1555, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 464, 465, 466, 468, 469, 470,
&end
#
# 29 LEU QQD 64 PHE H 5.03 (#peak 441)
&rst
ixpk= 441, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 464, 465, 466, 468, 469, 470,
&end
#
# 29 LEU QQD 64 PHE QD 3.27 (#peak 984)
&rst
ixpk= 984, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 464, 465, 466, 468, 469, 470,
igr2=1049,1057,
&end
#
# 30 GLU H 30 GLU QB 3.25 (#peak 412)
&rst
ixpk= 412, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 478, 479,
&end
#
# 30 GLU H 30 GLU QG 4.23 (#peak 418)
&rst
ixpk= 418, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 481, 482,
&end
#
# 30 GLU H 39 ILE QG1 4.36 (#peak 414)
&rst
ixpk= 414, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 633, 634,
&end
#
# 30 GLU H 40 LEU QQD 5.44 (#peak 734)
&rst
ixpk= 734, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 651, 652, 653, 655, 656, 657,
&end
#
# 30 GLU QB 31 ILE H 3.96 (#peak 1364)
&rst
ixpk= 1364, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 478, 479,
&end
#
# 30 GLU QB 41 ALA QB 3.26 (#peak 501)
&rst
ixpk= 501, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 478, 479,
igr2= 665, 666, 667,
&end
#
# 30 GLU QG 31 ILE H 4.32 (#peak 1492)
&rst
ixpk= 1492, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 481, 482,
&end
#
# 30 GLU QG 39 ILE H 4.92 (#peak 445)
&rst
ixpk= 445, nxpk= 0, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 481, 482,
&end
#
# 30 GLU QG 39 ILE QG1 4.00 (#peak 1486)
&rst
ixpk= 1486, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 481, 482,
igr2= 633, 634,
&end
#
# 31 ILE QG2 33 ILE QG1 4.16 (#peak 1054)
&rst
ixpk= 1054, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 495, 496, 497,
igr2= 530, 531,
&end
#
# 31 ILE HG12 33 ILE QG1 4.13 (#peak 1204)
&rst
ixpk= 1204, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 530, 531,
&end
#
# 31 ILE HG13 33 ILE QG1 5.04 (#peak 1203)
&rst
ixpk= 1203, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 530, 531,
&end
#
# 31 ILE QD1 101 CYS QB 3.85 (#peak 3218)
&rst
ixpk= 3218, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 502, 503, 504,
igr2=1651,1652,
&end
#
# 32 ASP H 39 ILE QG1 4.91 (#peak 1206)
&rst
ixpk= 1206, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 633, 634,
&end
#
# 32 ASP HB2 39 ILE QG1 4.28 (#peak 1871)
&rst
ixpk= 1871, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 633, 634,
&end
#
# 33 ILE H 33 ILE QG1 3.10 (#peak 1119)
&rst
ixpk= 1119, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 530, 531,
&end
#
# 33 ILE HA 33 ILE QG1 3.49 (#peak 2681)
&rst
ixpk= 2681, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 530, 531,
&end
#
# 33 ILE QG2 33 ILE QG1 3.05 (#peak 197)
&rst
ixpk= 197, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 526, 527, 528,
igr2= 530, 531,
&end
#
# 33 ILE QG1 34 LYS H 5.15 (#peak 1438)
&rst
ixpk= 1438, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 530, 531,
&end
#
# 33 ILE QD1 94 GLU QG 3.85 (#peak 1664)
&rst
ixpk= 1664, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 533, 534, 535,
igr2=1536,1537,
&end
#
# 34 LYS H 34 LYS QB 2.58 (#peak 385)
&rst
ixpk= 385, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr2= 543, 544,
&end
#
# 34 LYS H 34 LYS QG 4.04 (#peak 843)
&rst
ixpk= 843, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 546, 547,
&end
#
# 34 LYS H 35 ASN QD2 4.69 (#peak 1442)
&rst
ixpk= 1442, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 570, 571,
&end
#
# 34 LYS QB 35 ASN H 3.20 (#peak 1152)
&rst
ixpk= 1152, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 543, 544,
&end
#
# 34 LYS QB 35 ASN QD2 3.87 (#peak 797)
&rst
ixpk= 797, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 543, 544,
igr2= 570, 571,
&end
#
# 34 LYS QG 34 LYS QE 3.39 (#peak 849)
&rst
ixpk= 849, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 546, 547,
igr2= 552, 553,
&end
#
# 34 LYS QG 35 ASN H 4.61 (#peak 845)
&rst
ixpk= 845, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 546, 547,
&end
#
# 34 LYS QG 35 ASN QD2 4.64 (#peak 2010)
&rst
ixpk= 2010, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 546, 547,
igr2= 570, 571,
&end
#
# 34 LYS QE 35 ASN QD2 4.82 (#peak 2009)
&rst
ixpk= 2009, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 552, 553,
igr2= 570, 571,
&end
#
# 35 ASN H 35 ASN QD2 3.69 (#peak 744)
&rst
ixpk= 744, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 570, 571,
&end
#
# 35 ASN HA 35 ASN QD2 4.75 (#peak 795)
&rst
ixpk= 795, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 570, 571,
&end
#
# 35 ASN HB2 35 ASN QD2 3.42 (#peak 796)
&rst
ixpk= 796, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 570, 571,
&end
#
# 35 ASN HB2 36 GLU QB 5.34 (#peak 1732)
&rst
ixpk= 1732, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 579, 580,
&end
#
# 35 ASN HB3 35 ASN QD2 3.53 (#peak 1742)
&rst
ixpk= 1742, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 570, 571,
&end
#
# 35 ASN QD2 37 THR QG2 4.85 (#peak 1595)
&rst
ixpk= 1595, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 570, 571,
igr2= 596, 597, 598,
&end
#
# 36 GLU H 36 GLU QB 3.30 (#peak 1527)
&rst
ixpk= 1527, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 579, 580,
&end
#
# 36 GLU H 36 GLU QG 3.45 (#peak 1550)
&rst
ixpk= 1550, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 582, 583,
&end
#
# 36 GLU QB 37 THR H 3.96 (#peak 1764)
&rst
ixpk= 1764, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 579, 580,
&end
#
# 36 GLU QG 37 THR H 4.89 (#peak 1763)
&rst
ixpk= 1763, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 582, 583,
&end
#
# 38 ILE H 101 CYS QB 5.34 (#peak 1260)
&rst
ixpk= 1260, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1651,1652,
&end
#
# 38 ILE QG2 105 LEU QQD 4.15 (#peak 243)
&rst
ixpk= 243, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 610, 611, 612,
igr2=1714,1715,1716,1718,1719,1720,
&end
#
# 38 ILE HG12 105 LEU QQD 4.11 (#peak 1188)
&rst
ixpk= 1188, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1714,1715,1716,1718,1719,1720,
&end
#
# 38 ILE HG13 101 CYS QB 4.63 (#peak 1135)
&rst
ixpk= 1135, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1651,1652,
&end
#
# 38 ILE QD1 101 CYS QB 3.84 (#peak 3209)
&rst
ixpk= 3209, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 617, 618, 619,
igr2=1651,1652,
&end
#
# 38 ILE QD1 105 LEU QQD 3.33 (#peak 100)
&rst
ixpk= 100, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 617, 618, 619,
igr2=1714,1715,1716,1718,1719,1720,
&end
#
# 39 ILE H 39 ILE QG1 3.45 (#peak 443)
&rst
ixpk= 443, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 633, 634,
&end
#
# 39 ILE QG1 40 LEU H 4.12 (#peak 1030)
&rst
ixpk= 1030, nxpk= 0, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 633, 634,
&end
#
# 40 LEU H 40 LEU QQD 4.96 (#peak 1029)
&rst
ixpk= 1029, nxpk= 0, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2= 651, 652, 653, 655, 656, 657,
&end
#
# 40 LEU HA 40 LEU QQD 3.10 (#peak 725)
&rst
ixpk= 725, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 651, 652, 653, 655, 656, 657,
&end
#
# 40 LEU HB3 40 LEU QQD 2.94 (#peak 2025)
&rst
ixpk= 2025, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 651, 652, 653, 655, 656, 657,
&end
#
# 40 LEU QQD 41 ALA H 3.15 (#peak 63)
&rst
ixpk= 63, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 651, 652, 653, 655, 656, 657,
&end
#
# 40 LEU QQD 41 ALA HA 4.60 (#peak 732)
&rst
ixpk= 732, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 651, 652, 653, 655, 656, 657,
&end
#
# 40 LEU QQD 42 ASN H 3.41 (#peak 1697)
&rst
ixpk= 1697, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 651, 652, 653, 655, 656, 657,
&end
#
# 40 LEU QQD 42 ASN HA 4.76 (#peak 2957)
&rst
ixpk= 2957, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 651, 652, 653, 655, 656, 657,
&end
#
# 40 LEU QQD 43 THR H 5.01 (#peak 1942)
&rst
ixpk= 1942, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 651, 652, 653, 655, 656, 657,
&end
#
# 40 LEU QQD 43 THR HB 4.92 (#peak 2817)
&rst
ixpk= 2817, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 651, 652, 653, 655, 656, 657,
&end
#
# 40 LEU QQD 43 THR QG2 2.76 (#peak 891)
&rst
ixpk= 891, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 651, 652, 653, 655, 656, 657,
igr2= 691, 692, 693,
&end
#
# 42 ASN QB 42 ASN HD22 3.55 (#peak 1859)
&rst
ixpk= 1859, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 675, 676,
&end
#
# 42 ASN QB 44 GLU H 3.96 (#peak 240)
&rst
ixpk= 240, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 675, 676,
&end
#
# 42 ASN HD21 44 GLU QB 4.82 (#peak 1875)
&rst
ixpk= 1875, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 703, 704,
&end
#
# 42 ASN HD22 44 GLU QB 4.47 (#peak 1876)
&rst
ixpk= 1876, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 703, 704,
&end
#
# 43 THR H 44 GLU QB 4.32 (#peak 659)
&rst
ixpk= 659, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 703, 704,
&end
#
# 43 THR HA 44 GLU QB 5.34 (#peak 2862)
&rst
ixpk= 2862, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 703, 704,
&end
#
# 44 GLU H 44 GLU QB 3.04 (#peak 242)
&rst
ixpk= 242, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 703, 704,
&end
#
# 44 GLU QB 45 ASN H 3.35 (#peak 319)
&rst
ixpk= 319, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 703, 704,
&end
#
# 45 ASN H 45 ASN QD2 4.53 (#peak 665)
&rst
ixpk= 665, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 723, 724,
&end
#
# 45 ASN HA 45 ASN QD2 3.96 (#peak 663)
&rst
ixpk= 663, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 723, 724,
&end
#
# 45 ASN QB 45 ASN QD2 3.14 (#peak 662)
&rst
ixpk= 662, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 718, 719,
igr2= 723, 724,
&end
#
# 45 ASN QD2 46 THR HA 4.36 (#peak 2987)
&rst
ixpk= 2987, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 723, 724,
&end
#
# 45 ASN QD2 47 GLU H 4.87 (#peak 1250)
&rst
ixpk= 1250, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 723, 724,
&end
#
# 45 ASN QD2 47 GLU QG 4.35 (#peak 1510)
&rst
ixpk= 1510, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 723, 724,
igr2= 749, 750,
&end
#
# 46 THR H 47 GLU QG 5.14 (#peak 105)
&rst
ixpk= 105, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 749, 750,
&end
#
# 46 THR HA 47 GLU QG 4.56 (#peak 1506)
&rst
ixpk= 1506, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 749, 750,
&end
#
# 46 THR QG2 51 LEU QB 4.02 (#peak 387)
&rst
ixpk= 387, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 734, 735, 736,
igr2= 816, 817,
&end
#
# 46 THR QG2 51 LEU QQD 3.40 (#peak 385)
&rst
ixpk= 385, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 734, 735, 736,
igr2= 821, 822, 823, 825, 826, 827,
&end
#
# 46 THR QG2 54 ARG QD 5.09 (#peak 378)
&rst
ixpk= 378, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 734, 735, 736,
igr2= 877, 878,
&end
#
# 47 GLU H 47 GLU QB 3.33 (#peak 212)
&rst
ixpk= 212, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 746, 747,
&end
#
# 47 GLU H 47 GLU QG 3.28 (#peak 211)
&rst
ixpk= 211, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 749, 750,
&end
#
# 47 GLU HA 48 LEU QQD 4.55 (#peak 794)
&rst
ixpk= 794, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2= 766, 767, 768, 770, 771, 772,
&end
#
# 47 GLU QB 48 LEU H 3.06 (#peak 277)
&rst
ixpk= 277, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1= 746, 747,
&end
#
# 47 GLU QB 49 ARG H 3.69 (#peak 638)
&rst
ixpk= 638, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 746, 747,
&end
#
# 47 GLU QB 49 ARG QG 4.01 (#peak 3254)
&rst
ixpk= 3254, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 746, 747,
igr2= 783, 784,
&end
#
# 47 GLU QB 50 ASP H 3.81 (#peak 1979)
&rst
ixpk= 1979, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 746, 747,
&end
#
# 47 GLU QG 48 LEU H 4.38 (#peak 1496)
&rst
ixpk= 1496, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 749, 750,
&end
#
# 47 GLU QG 49 ARG H 5.09 (#peak 1509)
&rst
ixpk= 1509, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 749, 750,
&end
#
# 47 GLU QG 50 ASP H 5.34 (#peak 1511)
&rst
ixpk= 1511, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 749, 750,
&end
#
# 48 LEU H 48 LEU QQD 3.15 (#peak 282)
&rst
ixpk= 282, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 766, 767, 768, 770, 771, 772,
&end
#
# 48 LEU HA 48 LEU QQD 3.56 (#peak 788)
&rst
ixpk= 788, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 766, 767, 768, 770, 771, 772,
&end
#
# 48 LEU HA 51 LEU QB 4.22 (#peak 3112)
&rst
ixpk= 3112, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 816, 817,
&end
#
# 48 LEU HA 51 LEU QQD 3.61 (#peak 547)
&rst
ixpk= 547, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 821, 822, 823, 825, 826, 827,
&end
#
# 48 LEU QB 48 LEU QQD 2.65 (#peak 3237)
&rst
ixpk= 3237, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 761, 762,
igr2= 766, 767, 768, 770, 771, 772,
&end
#
# 48 LEU QB 51 LEU QQD 3.91 (#peak 3329)
&rst
ixpk= 3329, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 761, 762,
igr2= 821, 822, 823, 825, 826, 827,
&end
#
# 48 LEU QB 134 LEU QQD 4.01 (#peak 814)
&rst
ixpk= 814, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 761, 762,
igr2=2192,2193,2194,2196,2197,2198,
&end
#
# 48 LEU QQD 49 ARG H 4.08 (#peak 648)
&rst
ixpk= 648, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 766, 767, 768, 770, 771, 772,
&end
#
# 48 LEU QQD 49 ARG QG 3.55 (#peak 793)
&rst
ixpk= 793, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 766, 767, 768, 770, 771, 772,
igr2= 783, 784,
&end
#
# 48 LEU QQD 67 TYR HA 4.36 (#peak 3235)
&rst
ixpk= 3235, nxpk= 0, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 766, 767, 768, 770, 771, 772,
&end
#
# 48 LEU QQD 67 TYR QD 3.92 (#peak 3226)
&rst
ixpk= 3226, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 766, 767, 768, 770, 771, 772,
igr2=1108,1117,
&end
#
# 48 LEU QQD 67 TYR QE 3.57 (#peak 3227)
&rst
ixpk= 3227, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 766, 767, 768, 770, 771, 772,
igr2=1110,1115,
&end
#
# 48 LEU QQD 131 ALA H 3.41 (#peak 1077)
&rst
ixpk= 1077, nxpk= 0, iat= -1,2141, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 766, 767, 768, 770, 771, 772,
&end
#
# 48 LEU QQD 131 ALA HA 3.11 (#peak 3236)
&rst
ixpk= 3236, nxpk= 0, iat= -1,2143, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 766, 767, 768, 770, 771, 772,
&end
#
# 48 LEU QQD 131 ALA QB 2.92 (#peak 3238)
&rst
ixpk= 3238, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 766, 767, 768, 770, 771, 772,
igr2=2145,2146,2147,
&end
#
# 49 ARG H 49 ARG QB 2.98 (#peak 645)
&rst
ixpk= 645, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 780, 781,
&end
#
# 49 ARG QB 49 ARG QD 2.82 (#peak 2105)
&rst
ixpk= 2105, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1= 780, 781,
igr2= 786, 787,
&end
#
# 49 ARG QB 50 ASP H 4.42 (#peak 1956)
&rst
ixpk= 1956, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 780, 781,
&end
#
# 50 ASP H 51 LEU QB 4.16 (#peak 1963)
&rst
ixpk= 1963, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 816, 817,
&end
#
# 50 ASP H 51 LEU QQD 5.44 (#peak 548)
&rst
ixpk= 548, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 821, 822, 823, 825, 826, 827,
&end
#
# 51 LEU H 51 LEU QB 3.13 (#peak 1018)
&rst
ixpk= 1018, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 816, 817,
&end
#
# 51 LEU H 51 LEU QQD 3.23 (#peak 543)
&rst
ixpk= 543, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 821, 822, 823, 825, 826, 827,
&end
#
# 51 LEU H 52 PRO QG 4.09 (#peak 1016)
&rst
ixpk= 1016, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 835, 836,
&end
#
# 51 LEU H 129 LEU QQD 5.44 (#peak 1393)
&rst
ixpk= 1393, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=2117,2118,2119,2121,2122,2123,
&end
#
# 51 LEU HA 51 LEU QQD 3.34 (#peak 541)
&rst
ixpk= 541, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 821, 822, 823, 825, 826, 827,
&end
#
# 51 LEU QB 52 PRO HD2 4.23 (#peak 2195)
&rst
ixpk= 2195, nxpk= 0, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 816, 817,
&end
#
# 51 LEU QB 82 ILE QD1 5.34 (#peak 3108)
&rst
ixpk= 3108, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 816, 817,
igr2=1353,1354,1355,
&end
#
# 51 LEU QB 129 LEU QQD 4.31 (#peak 3109)
&rst
ixpk= 3109, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 816, 817,
igr2=2117,2118,2119,2121,2122,2123,
&end
#
# 51 LEU HG 129 LEU QQD 4.12 (#peak 3277)
&rst
ixpk= 3277, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=2117,2118,2119,2121,2122,2123,
&end
#
# 51 LEU QQD 52 PRO HD2 4.85 (#peak 2198)
&rst
ixpk= 2198, nxpk= 0, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 821, 822, 823, 825, 826, 827,
&end
#
# 51 LEU QQD 52 PRO HD3 3.85 (#peak 3326)
&rst
ixpk= 3326, nxpk= 0, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 821, 822, 823, 825, 826, 827,
&end
#
# 51 LEU QQD 55 ILE H 5.42 (#peak 810)
&rst
ixpk= 810, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 821, 822, 823, 825, 826, 827,
&end
#
# 51 LEU QQD 55 ILE QD1 3.80 (#peak 3)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 821, 822, 823, 825, 826, 827,
igr2= 904, 905, 906,
&end
#
# 51 LEU QQD 63 HIS HA 5.44 (#peak 546)
&rst
ixpk= 546, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 821, 822, 823, 825, 826, 827,
&end
#
# 51 LEU QQD 65 PHE H 5.37 (#peak 550)
&rst
ixpk= 550, nxpk= 0, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 821, 822, 823, 825, 826, 827,
&end
#
# 51 LEU QQD 65 PHE HB2 3.79 (#peak 565)
&rst
ixpk= 565, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 821, 822, 823, 825, 826, 827,
&end
#
# 51 LEU QQD 65 PHE HB3 3.86 (#peak 555)
&rst
ixpk= 555, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 821, 822, 823, 825, 826, 827,
&end
#
# 51 LEU QQD 65 PHE QD 4.32 (#peak 3324)
&rst
ixpk= 3324, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 821, 822, 823, 825, 826, 827,
igr2=1069,1077,
&end
#
# 51 LEU QQD 129 LEU H 4.94 (#peak 2022)
&rst
ixpk= 2022, nxpk= 0, iat= -1,2108, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 821, 822, 823, 825, 826, 827,
&end
#
# 51 LEU QQD 129 LEU QB 4.53 (#peak 3107)
&rst
ixpk= 3107, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 821, 822, 823, 825, 826, 827,
igr2=2112,2113,
&end
#
# 51 LEU QQD 129 LEU QQD 2.83 (#peak 3332)
&rst
ixpk= 3332, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 821, 822, 823, 825, 826, 827,
igr2=2117,2118,2119,2121,2122,2123,
&end
#
# 51 LEU QQD 134 LEU QQD 3.61 (#peak 750)
&rst
ixpk= 750, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 821, 822, 823, 825, 826, 827,
igr2=2192,2193,2194,2196,2197,2198,
&end
#
# 52 PRO HA 55 ILE QG1 3.80 (#peak 2791)
&rst
ixpk= 2791, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 901, 902,
&end
#
# 52 PRO HA 129 LEU QQD 3.97 (#peak 3233)
&rst
ixpk= 3233, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=2117,2118,2119,2121,2122,2123,
&end
#
# 52 PRO QB 53 LYS H 3.99 (#peak 1843)
&rst
ixpk= 1843, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 838, 839,
&end
#
# 52 PRO QB 127 ASP HA 3.31 (#peak 1322)
&rst
ixpk= 1322, nxpk= 0, iat= -1,2083, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 838, 839,
&end
#
# 52 PRO QB 129 LEU H 4.07 (#peak 3178)
&rst
ixpk= 3178, nxpk= 0, iat= -1,2108, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 838, 839,
&end
#
# 52 PRO QG 53 LYS H 4.10 (#peak 1070)
&rst
ixpk= 1070, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 835, 836,
&end
#
# 52 PRO QG 127 ASP HA 4.92 (#peak 2932)
&rst
ixpk= 2932, nxpk= 0, iat= -1,2083, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 835, 836,
&end
#
# 53 LYS H 54 ARG QD 5.34 (#peak 1840)
&rst
ixpk= 1840, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 877, 878,
&end
#
# 54 ARG H 54 ARG QD 4.29 (#peak 817)
&rst
ixpk= 817, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 877, 878,
&end
#
# 54 ARG HA 54 ARG QD 3.32 (#peak 1899)
&rst
ixpk= 1899, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 877, 878,
&end
#
# 55 ILE H 55 ILE QG1 3.20 (#peak 808)
&rst
ixpk= 808, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 901, 902,
&end
#
# 55 ILE H 56 PRO QD 4.75 (#peak 812)
&rst
ixpk= 812, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 911, 912,
&end
#
# 55 ILE HB 126 GLY QA 3.64 (#peak 1471)
&rst
ixpk= 1471, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=2076,2077,
&end
#
# 55 ILE QG2 55 ILE QG1 3.40 (#peak 168)
&rst
ixpk= 168, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 897, 898, 899,
igr2= 901, 902,
&end
#
# 55 ILE QG2 84 SER QB 3.42 (#peak 162)
&rst
ixpk= 162, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 897, 898, 899,
igr2=1384,1385,
&end
#
# 55 ILE QG2 126 GLY QA 3.24 (#peak 164)
&rst
ixpk= 164, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 897, 898, 899,
igr2=2076,2077,
&end
#
# 55 ILE QG1 63 HIS HE1 5.34 (#peak 3717)
&rst
ixpk= 3717, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 901, 902,
&end
#
# 55 ILE QG1 126 GLY H 4.92 (#peak 705)
&rst
ixpk= 705, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 901, 902,
&end
#
# 55 ILE QG1 126 GLY QA 3.78 (#peak 2089)
&rst
ixpk= 2089, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 901, 902,
igr2=2076,2077,
&end
#
# 55 ILE QD1 129 LEU QQD 3.09 (#peak 1)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 904, 905, 906,
igr2=2117,2118,2119,2121,2122,2123,
&end
#
# 56 PRO QB 57 LYS H 3.67 (#peak 916)
&rst
ixpk= 916, nxpk= 0, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 917, 918,
&end
#
# 56 PRO QB 58 ASP H 3.81 (#peak 1928)
&rst
ixpk= 1928, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 917, 918,
&end
#
# 56 PRO QB 59 SER H 4.24 (#peak 1814)
&rst
ixpk= 1814, nxpk= 0, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 917, 918,
&end
#
# 56 PRO QB 63 HIS HE1 5.34 (#peak 3715)
&rst
ixpk= 3715, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 917, 918,
&end
#
# 56 PRO QG 58 ASP H 4.25 (#peak 1925)
&rst
ixpk= 1925, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 914, 915,
&end
#
# 56 PRO QG 63 HIS HE1 5.02 (#peak 3720)
&rst
ixpk= 3720, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 914, 915,
&end
#
# 56 PRO QD 63 HIS HE1 4.30 (#peak 2185)
&rst
ixpk= 2185, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 911, 912,
&end
#
# 57 LYS H 57 LYS QB 3.53 (#peak 917)
&rst
ixpk= 917, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 928, 929,
&end
#
# 57 LYS H 58 ASP QB 4.55 (#peak 1434)
&rst
ixpk= 1434, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 950, 951,
&end
#
# 57 LYS HA 57 LYS QB 2.60 (#peak 2391)
&rst
ixpk= 2391, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 928, 929,
&end
#
# 57 LYS QB 57 LYS QE 4.63 (#peak 1418)
&rst
ixpk= 1418, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 928, 929,
igr2= 937, 938,
&end
#
# 57 LYS QB 58 ASP H 4.40 (#peak 1926)
&rst
ixpk= 1926, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 928, 929,
&end
#
# 58 ASP H 58 ASP QB 3.35 (#peak 1923)
&rst
ixpk= 1923, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 950, 951,
&end
#
# 58 ASP QB 59 SER H 4.24 (#peak 1816)
&rst
ixpk= 1816, nxpk= 0, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 950, 951,
&end
#
# 58 ASP QB 89 THR HB 5.34 (#peak 2820)
&rst
ixpk= 2820, nxpk= 0, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 950, 951,
&end
#
# 58 ASP QB 89 THR QG2 4.12 (#peak 465)
&rst
ixpk= 465, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 950, 951,
igr2=1456,1457,1458,
&end
#
# 59 SER H 86 PRO QD 5.34 (#peak 1815)
&rst
ixpk= 1815, nxpk= 0, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1409,1410,
&end
#
# 59 SER QB 61 ARG QB 5.24 (#peak 2746)
&rst
ixpk= 2746, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 962, 963,
igr2= 983, 984,
&end
#
# 60 ALA H 86 PRO QD 4.45 (#peak 186)
&rst
ixpk= 186, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1409,1410,
&end
#
# 60 ALA H 94 GLU QG 4.50 (#peak 1654)
&rst
ixpk= 1654, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1536,1537,
&end
#
# 60 ALA QB 85 MET QB 3.64 (#peak 307)
&rst
ixpk= 307, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 973, 974, 975,
igr2=1395,1396,
&end
#
# 60 ALA QB 86 PRO QD 3.61 (#peak 304)
&rst
ixpk= 304, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 973, 974, 975,
igr2=1409,1410,
&end
#
# 60 ALA QB 94 GLU QG 4.80 (#peak 1665)
&rst
ixpk= 1665, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 973, 974, 975,
igr2=1536,1537,
&end
#
# 61 ARG H 61 ARG QB 3.60 (#peak 1910)
&rst
ixpk= 1910, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 983, 984,
&end
#
# 61 ARG H 86 PRO QD 5.35 (#peak 1908)
&rst
ixpk= 1908, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=1409,1410,
&end
#
# 61 ARG QB 62 TYR H 4.24 (#peak 1987)
&rst
ixpk= 1987, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 983, 984,
&end
#
# 61 ARG QB 62 TYR HA 4.61 (#peak 2266)
&rst
ixpk= 2266, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 983, 984,
&end
#
# 61 ARG QB 84 SER H 5.34 (#peak 1309)
&rst
ixpk= 1309, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 983, 984,
&end
#
# 62 TYR QD 105 LEU QQD 3.41 (#peak 3229)
&rst
ixpk= 3229, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1011,1020,
igr2=1714,1715,1716,1718,1719,1720,
&end
#
# 62 TYR QE 101 CYS QB 4.44 (#peak 3213)
&rst
ixpk= 3213, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1013,1018,
igr2=1651,1652,
&end
#
# 62 TYR QE 105 LEU QQD 3.64 (#peak 3465)
&rst
ixpk= 3465, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1013,1018,
igr2=1714,1715,1716,1718,1719,1720,
&end
#
# 64 PHE HA 79 VAL QQG 4.35 (#peak 2902)
&rst
ixpk= 2902, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 64 PHE HA 80 VAL QQG 5.10 (#peak 440)
&rst
ixpk= 440, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 64 PHE QB 79 VAL QQG 3.48 (#peak 604)
&rst
ixpk= 604, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1045,1046,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 64 PHE QB 109 VAL QQG 5.07 (#peak 577)
&rst
ixpk= 577, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
igr1=1045,1046,
igr2=1783,1784,1785,1787,1788,1789,
&end
#
# 64 PHE QD 79 VAL QQG 3.26 (#peak 614)
&rst
ixpk= 614, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1049,1057,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 64 PHE QD 109 VAL QQG 4.08 (#peak 570)
&rst
ixpk= 570, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1049,1057,
igr2=1783,1784,1785,1787,1788,1789,
&end
#
# 65 PHE H 79 VAL QQG 4.21 (#peak 332)
&rst
ixpk= 332, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 65 PHE H 80 VAL QQG 3.75 (#peak 419)
&rst
ixpk= 419, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 65 PHE HA 79 VAL QQG 5.44 (#peak 2346)
&rst
ixpk= 2346, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 65 PHE HB2 80 VAL QQG 4.71 (#peak 2064)
&rst
ixpk= 2064, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 65 PHE HB3 80 VAL QQG 3.41 (#peak 396)
&rst
ixpk= 396, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 65 PHE HB3 134 LEU QQD 4.66 (#peak 744)
&rst
ixpk= 744, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=2192,2193,2194,2196,2197,2198,
&end
#
# 65 PHE QD 80 VAL QQG 3.44 (#peak 413)
&rst
ixpk= 413, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1069,1077,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 65 PHE QD 134 LEU QQD 3.27 (#peak 833)
&rst
ixpk= 833, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1069,1077,
igr2=2192,2193,2194,2196,2197,2198,
&end
#
# 66 LEU H 66 LEU QQD 4.23 (#peak 31)
&rst
ixpk= 31, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1090,1091,1092,1094,1095,1096,
&end
#
# 66 LEU H 80 VAL QQG 4.91 (#peak 420)
&rst
ixpk= 420, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 66 LEU HA 66 LEU QQD 3.05 (#peak 692)
&rst
ixpk= 692, nxpk= 0, iat=1083, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1090,1091,1092,1094,1095,1096,
&end
#
# 66 LEU HA 79 VAL QQG 3.78 (#peak 597)
&rst
ixpk= 597, nxpk= 0, iat=1083, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 66 LEU HB3 66 LEU QQD 3.08 (#peak 699)
&rst
ixpk= 699, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1090,1091,1092,1094,1095,1096,
&end
#
# 66 LEU HG 77 GLU QB 4.35 (#peak 1290)
&rst
ixpk= 1290, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1266,1267,
&end
#
# 66 LEU HG 77 GLU QG 5.31 (#peak 1519)
&rst
ixpk= 1519, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1269,1270,
&end
#
# 66 LEU QQD 67 TYR H 4.17 (#peak 680)
&rst
ixpk= 680, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1090,1091,1092,1094,1095,1096,
&end
#
# 66 LEU QQD 68 LYS QD 4.72 (#peak 1172)
&rst
ixpk= 1172, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1090,1091,1092,1094,1095,1096,
igr2=1131,1132,
&end
#
# 66 LEU QQD 68 LYS QE 3.29 (#peak 3264)
&rst
ixpk= 3264, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1090,1091,1092,1094,1095,1096,
igr2=1134,1135,
&end
#
# 66 LEU QQD 77 GLU QB 4.07 (#peak 1289)
&rst
ixpk= 1289, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1090,1091,1092,1094,1095,1096,
igr2=1266,1267,
&end
#
# 66 LEU QQD 78 SER HA 3.41 (#peak 691)
&rst
ixpk= 691, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1090,1091,1092,1094,1095,1096,
&end
#
# 66 LEU QQD 79 VAL H 4.40 (#peak 681)
&rst
ixpk= 681, nxpk= 0, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1090,1091,1092,1094,1095,1096,
&end
#
# 66 LEU QQD 79 VAL HA 5.02 (#peak 2703)
&rst
ixpk= 2703, nxpk= 0, iat= -1,1290, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=1090,1091,1092,1094,1095,1096,
&end
#
# 67 TYR H 80 VAL QQG 3.69 (#peak 61)
&rst
ixpk= 61, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 67 TYR H 134 LEU QQD 4.97 (#peak 841)
&rst
ixpk= 841, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2=2192,2193,2194,2196,2197,2198,
&end
#
# 67 TYR HA 134 LEU QQD 4.09 (#peak 808)
&rst
ixpk= 808, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2192,2193,2194,2196,2197,2198,
&end
#
# 67 TYR HB2 80 VAL QQG 3.33 (#peak 394)
&rst
ixpk= 394, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 67 TYR HB2 134 LEU QQD 3.67 (#peak 821)
&rst
ixpk= 821, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=2192,2193,2194,2196,2197,2198,
&end
#
# 67 TYR HB3 80 VAL QQG 4.12 (#peak 395)
&rst
ixpk= 395, nxpk= 0, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 67 TYR HB3 134 LEU QQD 4.21 (#peak 820)
&rst
ixpk= 820, nxpk= 0, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2192,2193,2194,2196,2197,2198,
&end
#
# 67 TYR QD 80 VAL QQG 3.58 (#peak 414)
&rst
ixpk= 414, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1108,1117,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 67 TYR QD 134 LEU QQD 3.65 (#peak 836)
&rst
ixpk= 836, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1108,1117,
igr2=2192,2193,2194,2196,2197,2198,
&end
#
# 67 TYR QD 138 VAL QQG 3.41 (#peak 684)
&rst
ixpk= 684, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1108,1117,
igr2=2256,2257,2258,2260,2261,2262,
&end
#
# 67 TYR QE 134 LEU QQD 3.95 (#peak 835)
&rst
ixpk= 835, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1110,1115,
igr2=2192,2193,2194,2196,2197,2198,
&end
#
# 67 TYR QE 138 VAL QQG 3.54 (#peak 685)
&rst
ixpk= 685, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1110,1115,
igr2=2256,2257,2258,2260,2261,2262,
&end
#
# 68 LYS H 68 LYS QB 3.36 (#peak 1743)
&rst
ixpk= 1743, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1125,1126,
&end
#
# 68 LYS H 68 LYS QG 3.53 (#peak 1745)
&rst
ixpk= 1745, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1128,1129,
&end
#
# 68 LYS QB 69 HIS H 3.80 (#peak 334)
&rst
ixpk= 334, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1125,1126,
&end
#
# 68 LYS QB 75 TYR QE 4.62 (#peak 1330)
&rst
ixpk= 1330, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1125,1126,
igr2=1232,1237,
&end
#
# 68 LYS QB 77 GLU HA 4.14 (#peak 2936)
&rst
ixpk= 2936, nxpk= 0, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1125,1126,
&end
#
# 68 LYS QG 69 HIS H 5.02 (#peak 336)
&rst
ixpk= 336, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1128,1129,
&end
#
# 68 LYS QG 75 TYR QD 5.34 (#peak 3655)
&rst
ixpk= 3655, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1128,1129,
igr2=1230,1239,
&end
#
# 69 HIS H 76 LEU QB 4.14 (#peak 1312)
&rst
ixpk= 1312, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1247,1248,
&end
#
# 69 HIS HD2 71 HIS QB 4.70 (#peak 3164)
&rst
ixpk= 3164, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1175,1176,
&end
#
# 69 HIS HD2 76 LEU QQD 4.34 (#peak 3280)
&rst
ixpk= 3280, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1252,1253,1254,1256,1257,1258,
&end
#
# 69 HIS HE1 76 LEU QQD 3.85 (#peak 3281)
&rst
ixpk= 3281, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1252,1253,1254,1256,1257,1258,
&end
#
# 69 HIS HE1 138 VAL QQG 4.70 (#peak 518)
&rst
ixpk= 518, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=2256,2257,2258,2260,2261,2262,
&end
#
# 70 SER H 76 LEU QQD 4.85 (#peak 1685)
&rst
ixpk= 1685, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2=1252,1253,1254,1256,1257,1258,
&end
#
# 70 SER HA 71 HIS QB 4.48 (#peak 2899)
&rst
ixpk= 2899, nxpk= 0, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1175,1176,
&end
#
# 70 SER HA 76 LEU QQD 4.52 (#peak 2901)
&rst
ixpk= 2901, nxpk= 0, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1252,1253,1254,1256,1257,1258,
&end
#
# 70 SER QB 76 LEU QQD 4.47 (#peak 3316)
&rst
ixpk= 3316, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=1164,1165,
igr2=1252,1253,1254,1256,1257,1258,
&end
#
# 71 HIS H 71 HIS QB 3.41 (#peak 298)
&rst
ixpk= 298, nxpk= 0, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1175,1176,
&end
#
# 71 HIS H 76 LEU QQD 3.80 (#peak 301)
&rst
ixpk= 301, nxpk= 0, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1252,1253,1254,1256,1257,1258,
&end
#
# 71 HIS QB 72 GLU H 3.54 (#peak 124)
&rst
ixpk= 124, nxpk= 0, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1=1175,1176,
&end
#
# 71 HIS QB 76 LEU QQD 4.20 (#peak 3158)
&rst
ixpk= 3158, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1175,1176,
igr2=1252,1253,1254,1256,1257,1258,
&end
#
# 71 HIS HD2 76 LEU QQD 4.60 (#peak 3280)
&rst
ixpk= 3280, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1252,1253,1254,1256,1257,1258,
&end
#
# 71 HIS HE1 76 LEU QB 4.50 (#peak 3726)
&rst
ixpk= 3726, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1247,1248,
&end
#
# 71 HIS HE1 76 LEU QQD 4.17 (#peak 3725)
&rst
ixpk= 3725, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1252,1253,1254,1256,1257,1258,
&end
#
# 72 GLU H 73 GLY QA 5.34 (#peak 119)
&rst
ixpk= 119, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1205,1206,
&end
#
# 72 GLU HA 72 GLU QG 3.34 (#peak 1527)
&rst
ixpk= 1527, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1195,1196,
&end
#
# 72 GLU HA 73 GLY QA 4.30 (#peak 2380)
&rst
ixpk= 2380, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1205,1206,
&end
#
# 72 GLU QB 73 GLY H 3.86 (#peak 719)
&rst
ixpk= 719, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1192,1193,
&end
#
# 72 GLU QB 74 ASP H 4.44 (#peak 983)
&rst
ixpk= 983, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1192,1193,
&end
#
# 72 GLU QG 73 GLY H 4.51 (#peak 720)
&rst
ixpk= 720, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1195,1196,
&end
#
# 73 GLY QA 74 ASP HA 4.80 (#peak 2076)
&rst
ixpk= 2076, nxpk= 0, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1205,1206,
&end
#
# 74 ASP H 76 LEU QQD 4.43 (#peak 985)
&rst
ixpk= 985, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1252,1253,1254,1256,1257,1258,
&end
#
# 74 ASP QB 76 LEU QQD 2.97 (#peak 3267)
&rst
ixpk= 3267, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1214,1215,
igr2=1252,1253,1254,1256,1257,1258,
&end
#
# 75 TYR H 75 TYR QB 2.98 (#peak 1060)
&rst
ixpk= 1060, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=1226,1227,
&end
#
# 75 TYR H 76 LEU QQD 4.06 (#peak 1062)
&rst
ixpk= 1062, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1252,1253,1254,1256,1257,1258,
&end
#
# 75 TYR QB 76 LEU H 3.94 (#peak 10)
&rst
ixpk= 10, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1226,1227,
&end
#
# 75 TYR QD 76 LEU QQD 4.71 (#peak 3657)
&rst
ixpk= 3657, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1=1230,1239,
igr2=1252,1253,1254,1256,1257,1258,
&end
#
# 75 TYR QD 77 GLU QG 4.96 (#peak 3654)
&rst
ixpk= 3654, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=1230,1239,
igr2=1269,1270,
&end
#
# 75 TYR QE 77 GLU QB 4.41 (#peak 3442)
&rst
ixpk= 3442, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1232,1237,
igr2=1266,1267,
&end
#
# 75 TYR QE 77 GLU QG 3.76 (#peak 3443)
&rst
ixpk= 3443, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1232,1237,
igr2=1269,1270,
&end
#
# 76 LEU H 76 LEU QB 3.32 (#peak 15)
&rst
ixpk= 15, nxpk= 0, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1247,1248,
&end
#
# 76 LEU H 76 LEU QQD 3.61 (#peak 14)
&rst
ixpk= 14, nxpk= 0, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1252,1253,1254,1256,1257,1258,
&end
#
# 76 LEU HA 76 LEU QQD 3.43 (#peak 666)
&rst
ixpk= 666, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1252,1253,1254,1256,1257,1258,
&end
#
# 76 LEU HA 77 GLU QG 4.83 (#peak 2309)
&rst
ixpk= 2309, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1269,1270,
&end
#
# 76 LEU QB 77 GLU H 3.23 (#peak 1448)
&rst
ixpk= 1448, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1=1247,1248,
&end
#
# 76 LEU QQD 77 GLU H 4.38 (#peak 677)
&rst
ixpk= 677, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1252,1253,1254,1256,1257,1258,
&end
#
# 77 GLU H 77 GLU QB 3.45 (#peak 503)
&rst
ixpk= 503, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1266,1267,
&end
#
# 77 GLU H 77 GLU QG 3.67 (#peak 505)
&rst
ixpk= 505, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1269,1270,
&end
#
# 77 GLU QB 78 SER H 4.03 (#peak 1529)
&rst
ixpk= 1529, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1266,1267,
&end
#
# 77 GLU QG 78 SER H 4.52 (#peak 1508)
&rst
ixpk= 1508, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1269,1270,
&end
#
# 77 GLU QG 78 SER HA 4.44 (#peak 1502)
&rst
ixpk= 1502, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1269,1270,
&end
#
# 78 SER H 78 SER QB 3.62 (#peak 1507)
&rst
ixpk= 1507, nxpk= 0, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1281,1282,
&end
#
# 78 SER HA 79 VAL QQG 3.91 (#peak 599)
&rst
ixpk= 599, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 78 SER HA 118 ILE QG1 4.24 (#peak 1085)
&rst
ixpk= 1085, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1940,1941,
&end
#
# 78 SER QB 79 VAL QQG 4.72 (#peak 603)
&rst
ixpk= 603, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1281,1282,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 78 SER QB 118 ILE HB 5.10 (#peak 2779)
&rst
ixpk= 2779, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1281,1282,
&end
#
# 78 SER QB 118 ILE QG2 4.34 (#peak 2781)
&rst
ixpk= 2781, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1281,1282,
igr2=1936,1937,1938,
&end
#
# 78 SER QB 118 ILE QG1 3.94 (#peak 2783)
&rst
ixpk= 2783, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1281,1282,
igr2=1940,1941,
&end
#
# 78 SER QB 118 ILE QD1 3.59 (#peak 34)
&rst
ixpk= 34, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1281,1282,
igr2=1943,1944,1945,
&end
#
# 79 VAL H 79 VAL QQG 2.98 (#peak 616)
&rst
ixpk= 616, nxpk= 0, iat=1288, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 79 VAL H 117 VAL QQG 5.34 (#peak 647)
&rst
ixpk= 647, nxpk= 0, iat=1288, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 79 VAL H 118 ILE QG1 4.99 (#peak 175)
&rst
ixpk= 175, nxpk= 0, iat=1288, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1940,1941,
&end
#
# 79 VAL HA 79 VAL QQG 3.00 (#peak 598)
&rst
ixpk= 598, nxpk= 0, iat=1290, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 79 VAL HA 80 VAL QQG 4.03 (#peak 2662)
&rst
ixpk= 2662, nxpk= 0, iat=1290, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 79 VAL HB 117 VAL QQG 4.62 (#peak 654)
&rst
ixpk= 654, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 79 VAL QQG 80 VAL H 4.05 (#peak 622)
&rst
ixpk= 622, nxpk= 0, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 79 VAL QQG 80 VAL HA 4.06 (#peak 611)
&rst
ixpk= 611, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 79 VAL QQG 81 PHE H 4.53 (#peak 621)
&rst
ixpk= 621, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 79 VAL QQG 115 MET QG 3.51 (#peak 1336)
&rst
ixpk= 1336, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1294,1295,1296,1298,1299,1300,
igr2=1892,1893,
&end
#
# 79 VAL QQG 117 VAL HA 4.22 (#peak 609)
&rst
ixpk= 609, nxpk= 0, iat= -1,1916, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 79 VAL QQG 117 VAL HB 4.98 (#peak 1324)
&rst
ixpk= 1324, nxpk= 0, iat= -1,1918, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 79 VAL QQG 118 ILE H 4.29 (#peak 620)
&rst
ixpk= 620, nxpk= 0, iat= -1,1930, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 80 VAL H 80 VAL QQG 3.25 (#peak 418)
&rst
ixpk= 418, nxpk= 0, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 80 VAL H 117 VAL QQG 5.44 (#peak 647)
&rst
ixpk= 647, nxpk= 0, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 80 VAL H 118 ILE QG1 4.94 (#peak 280)
&rst
ixpk= 280, nxpk= 0, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1940,1941,
&end
#
# 80 VAL HA 117 VAL QQG 3.69 (#peak 650)
&rst
ixpk= 650, nxpk= 0, iat=1306, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 80 VAL HB 134 LEU QQD 4.42 (#peak 814)
&rst
ixpk= 814, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=2192,2193,2194,2196,2197,2198,
&end
#
# 80 VAL QQG 81 PHE H 3.43 (#peak 421)
&rst
ixpk= 421, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 80 VAL QQG 81 PHE HA 4.59 (#peak 445)
&rst
ixpk= 445, nxpk= 0, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 80 VAL QQG 81 PHE QB 4.88 (#peak 407)
&rst
ixpk= 407, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
igr1=1310,1311,1312,1314,1315,1316,
igr2=1324,1325,
&end
#
# 80 VAL QQG 81 PHE QD 5.44 (#peak 454)
&rst
ixpk= 454, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1=1310,1311,1312,1314,1315,1316,
igr2=1328,1336,
&end
#
# 80 VAL QQG 82 ILE H 5.27 (#peak 162)
&rst
ixpk= 162, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 80 VAL QQG 82 ILE HA 4.40 (#peak 2880)
&rst
ixpk= 2880, nxpk= 0, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 80 VAL QQG 82 ILE QG1 3.26 (#peak 410)
&rst
ixpk= 410, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1310,1311,1312,1314,1315,1316,
igr2=1350,1351,
&end
#
# 80 VAL QQG 82 ILE QD1 3.51 (#peak 412)
&rst
ixpk= 412, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1310,1311,1312,1314,1315,1316,
igr2=1353,1354,1355,
&end
#
# 80 VAL QQG 118 ILE H 4.85 (#peak 443)
&rst
ixpk= 443, nxpk= 0, iat= -1,1930, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 80 VAL QQG 119 ARG H 3.68 (#peak 422)
&rst
ixpk= 422, nxpk= 0, iat= -1,1949, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 80 VAL QQG 120 LYS HA 4.96 (#peak 445)
&rst
ixpk= 445, nxpk= 0, iat= -1,1975, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 80 VAL QQG 121 ILE H 3.95 (#peak 222)
&rst
ixpk= 222, nxpk= 0, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 80 VAL QQG 121 ILE QD1 2.86 (#peak 86)
&rst
ixpk= 86, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1=1310,1311,1312,1314,1315,1316,
igr2=2008,2009,2010,
&end
#
# 80 VAL QQG 134 LEU QQD 3.77 (#peak 749)
&rst
ixpk= 749, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1310,1311,1312,1314,1315,1316,
igr2=2192,2193,2194,2196,2197,2198,
&end
#
# 81 PHE H 106 LEU QQD 5.44 (#peak 515)
&rst
ixpk= 515, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1733,1734,1735,1737,1738,1739,
&end
#
# 81 PHE H 117 VAL QQG 3.46 (#peak 1133)
&rst
ixpk= 1133, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 81 PHE HA 106 LEU QQD 5.44 (#peak 514)
&rst
ixpk= 514, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1733,1734,1735,1737,1738,1739,
&end
#
# 81 PHE HA 117 VAL QQG 4.43 (#peak 646)
&rst
ixpk= 646, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 81 PHE QB 117 VAL QQG 3.10 (#peak 653)
&rst
ixpk= 653, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1324,1325,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 81 PHE QD 106 LEU QQD 3.62 (#peak 513)
&rst
ixpk= 513, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1328,1336,
igr2=1733,1734,1735,1737,1738,1739,
&end
#
# 81 PHE QD 117 VAL QQG 4.40 (#peak 3647)
&rst
ixpk= 3647, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1328,1336,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 81 PHE QD 120 LYS QB 4.14 (#peak 1443)
&rst
ixpk= 1443, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1328,1336,
igr2=1977,1978,
&end
#
# 81 PHE QE 102 LYS QD 5.34 (#peak 3540)
&rst
ixpk= 3540, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1330,1334,
igr2=1668,1669,
&end
#
# 81 PHE QE 105 LEU QQD 4.10 (#peak 3543)
&rst
ixpk= 3543, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1330,1334,
igr2=1714,1715,1716,1718,1719,1720,
&end
#
# 81 PHE HZ 102 LYS QD 4.95 (#peak 3731)
&rst
ixpk= 3731, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1668,1669,
&end
#
# 82 ILE H 82 ILE QG1 3.64 (#peak 163)
&rst
ixpk= 163, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1350,1351,
&end
#
# 82 ILE QG2 84 SER QB 3.95 (#peak 348)
&rst
ixpk= 348, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1346,1347,1348,
igr2=1384,1385,
&end
#
# 82 ILE QG2 129 LEU QB 4.95 (#peak 346)
&rst
ixpk= 346, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1346,1347,1348,
igr2=2112,2113,
&end
#
# 82 ILE QG1 83 TYR H 4.72 (#peak 1201)
&rst
ixpk= 1201, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1350,1351,
&end
#
# 82 ILE QG1 121 ILE H 5.34 (#peak 223)
&rst
ixpk= 223, nxpk= 0, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1350,1351,
&end
#
# 82 ILE QG1 129 LEU QQD 3.78 (#peak 1021)
&rst
ixpk= 1021, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1350,1351,
igr2=2117,2118,2119,2121,2122,2123,
&end
#
# 83 TYR H 129 LEU QQD 5.07 (#peak 714)
&rst
ixpk= 714, nxpk= 0, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2=2117,2118,2119,2121,2122,2123,
&end
#
# 83 TYR QD 85 MET QB 4.67 (#peak 3606)
&rst
ixpk= 3606, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1367,1376,
igr2=1395,1396,
&end
#
# 83 TYR QD 102 LYS QD 3.99 (#peak 3605)
&rst
ixpk= 3605, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1367,1376,
igr2=1668,1669,
&end
#
# 83 TYR QE 85 MET QB 4.03 (#peak 3441)
&rst
ixpk= 3441, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1369,1374,
igr2=1395,1396,
&end
#
# 83 TYR QE 102 LYS QD 4.96 (#peak 3442)
&rst
ixpk= 3442, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=1369,1374,
igr2=1668,1669,
&end
#
# 84 SER H 84 SER QB 3.60 (#peak 1307)
&rst
ixpk= 1307, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1384,1385,
&end
#
# 84 SER H 85 MET QB 5.34 (#peak 1309)
&rst
ixpk= 1309, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1395,1396,
&end
#
# 84 SER QB 123 ILE H 4.73 (#peak 1636)
&rst
ixpk= 1636, nxpk= 0, iat= -1,2029, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1384,1385,
&end
#
# 84 SER QB 123 ILE HG12 4.81 (#peak 2788)
&rst
ixpk= 2788, nxpk= 0, iat= -1,2039, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1384,1385,
&end
#
# 84 SER QB 123 ILE QD1 3.72 (#peak 127)
&rst
ixpk= 127, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1384,1385,
igr2=2042,2043,2044,
&end
#
# 86 PRO QG 90 CYS QB 4.23 (#peak 1001)
&rst
ixpk= 1001, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1412,1413,
igr2=1468,1469,
&end
#
# 89 THR QG2 90 CYS QB 3.95 (#peak 464)
&rst
ixpk= 464, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1456,1457,1458,
igr2=1468,1469,
&end
#
# 90 CYS H 90 CYS QB 3.38 (#peak 957)
&rst
ixpk= 957, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1468,1469,
&end
#
# 90 CYS QB 91 SER H 3.60 (#peak 454)
&rst
ixpk= 454, nxpk= 0, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1468,1469,
&end
#
# 90 CYS QB 94 GLU QB 4.16 (#peak 3196)
&rst
ixpk= 3196, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1468,1469,
igr2=1533,1534,
&end
#
# 90 CYS QB 94 GLU QG 4.62 (#peak 1661)
&rst
ixpk= 1661, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1468,1469,
igr2=1536,1537,
&end
#
# 91 SER H 91 SER QB 3.48 (#peak 419)
&rst
ixpk= 419, nxpk= 0, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1479,1480,
&end
#
# 91 SER HA 92 ILE QG1 4.60 (#peak 1181)
&rst
ixpk= 1181, nxpk= 0, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1496,1497,
&end
#
# 91 SER QB 92 ILE H 3.38 (#peak 309)
&rst
ixpk= 309, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1=1479,1480,
&end
#
# 91 SER QB 92 ILE HB 5.21 (#peak 2690)
&rst
ixpk= 2690, nxpk= 0, iat= -1,1490, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1479,1480,
&end
#
# 91 SER QB 92 ILE QG1 4.75 (#peak 1180)
&rst
ixpk= 1180, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1479,1480,
igr2=1496,1497,
&end
#
# 91 SER QB 93 ARG H 3.28 (#peak 466)
&rst
ixpk= 466, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1=1479,1480,
&end
#
# 91 SER QB 93 ARG QB 4.21 (#peak 2975)
&rst
ixpk= 2975, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1479,1480,
igr2=1509,1510,
&end
#
# 91 SER QB 94 GLU H 3.99 (#peak 1511)
&rst
ixpk= 1511, nxpk= 0, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1479,1480,
&end
#
# 92 ILE H 95 ARG QG 4.90 (#peak 316)
&rst
ixpk= 316, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1551,1552,
&end
#
# 92 ILE HA 95 ARG QG 4.26 (#peak 2684)
&rst
ixpk= 2684, nxpk= 0, iat=1488, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1551,1552,
&end
#
# 92 ILE QG2 92 ILE QG1 2.73 (#peak 360)
&rst
ixpk= 360, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1=1492,1493,1494,
igr2=1496,1497,
&end
#
# 92 ILE QG2 96 MET QG 3.85 (#peak 3174)
&rst
ixpk= 3174, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1492,1493,1494,
igr2=1575,1576,
&end
#
# 92 ILE QG1 93 ARG H 4.37 (#peak 460)
&rst
ixpk= 460, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1496,1497,
&end
#
# 92 ILE QD1 93 ARG QG 4.29 (#peak 1018)
&rst
ixpk= 1018, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1499,1500,1501,
igr2=1512,1513,
&end
#
# 93 ARG H 93 ARG QB 3.22 (#peak 461)
&rst
ixpk= 461, nxpk= 0, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1509,1510,
&end
#
# 93 ARG H 93 ARG QG 3.83 (#peak 970)
&rst
ixpk= 970, nxpk= 0, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1512,1513,
&end
#
# 93 ARG H 95 ARG QG 4.60 (#peak 1406)
&rst
ixpk= 1406, nxpk= 0, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1551,1552,
&end
#
# 93 ARG H 96 MET QG 5.34 (#peak 3169)
&rst
ixpk= 3169, nxpk= 0, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1575,1576,
&end
#
# 93 ARG HA 93 ARG QG 3.19 (#peak 1015)
&rst
ixpk= 1015, nxpk= 0, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1512,1513,
&end
#
# 93 ARG QB 93 ARG HE 5.06 (#peak 1148)
&rst
ixpk= 1148, nxpk= 0, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1509,1510,
&end
#
# 93 ARG QB 94 GLU H 3.22 (#peak 1540)
&rst
ixpk= 1540, nxpk= 0, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=1509,1510,
&end
#
# 93 ARG QG 94 GLU H 4.44 (#peak 995)
&rst
ixpk= 995, nxpk= 0, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1512,1513,
&end
#
# 94 GLU H 94 GLU QG 4.16 (#peak 1512)
&rst
ixpk= 1512, nxpk= 0, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1536,1537,
&end
#
# 94 GLU H 96 MET QG 5.34 (#peak 1518)
&rst
ixpk= 1518, nxpk= 0, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1575,1576,
&end
#
# 94 GLU HA 94 GLU QG 3.49 (#peak 2993)
&rst
ixpk= 2993, nxpk= 0, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1536,1537,
&end
#
# 94 GLU HA 97 LEU QQD 3.78 (#peak 3269)
&rst
ixpk= 3269, nxpk= 0, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1594,1595,1596,1598,1599,1600,
&end
#
# 94 GLU QG 95 ARG H 4.42 (#peak 522)
&rst
ixpk= 522, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1536,1537,
&end
#
# 94 GLU QG 97 LEU HB3 5.34 (#peak 1667)
&rst
ixpk= 1667, nxpk= 0, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1536,1537,
&end
#
# 94 GLU QG 98 TYR H 5.01 (#peak 1583)
&rst
ixpk= 1583, nxpk= 0, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1536,1537,
&end
#
# 94 GLU QG 98 TYR QD 4.04 (#peak 1648)
&rst
ixpk= 1648, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1536,1537,
igr2=1612,1621,
&end
#
# 94 GLU QG 98 TYR QE 3.77 (#peak 1649)
&rst
ixpk= 1649, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=1536,1537,
igr2=1614,1619,
&end
#
# 95 ARG H 95 ARG QG 3.37 (#peak 525)
&rst
ixpk= 525, nxpk= 0, iat=1544, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1551,1552,
&end
#
# 95 ARG H 96 MET QG 4.81 (#peak 521)
&rst
ixpk= 521, nxpk= 0, iat=1544, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1575,1576,
&end
#
# 95 ARG HA 95 ARG QG 3.60 (#peak 1050)
&rst
ixpk= 1050, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1551,1552,
&end
#
# 95 ARG HA 98 TYR QB 4.39 (#peak 2582)
&rst
ixpk= 2582, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1608,1609,
&end
#
# 95 ARG QG 96 MET H 3.79 (#peak 540)
&rst
ixpk= 540, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1551,1552,
&end
#
# 95 ARG QG 96 MET QG 4.55 (#peak 3173)
&rst
ixpk= 3173, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1551,1552,
igr2=1575,1576,
&end
#
# 96 MET H 96 MET QG 3.31 (#peak 539)
&rst
ixpk= 539, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1575,1576,
&end
#
# 96 MET HA 96 MET QG 3.48 (#peak 2507)
&rst
ixpk= 2507, nxpk= 0, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1575,1576,
&end
#
# 96 MET QG 96 MET QE 3.08 (#peak 3374)
&rst
ixpk= 3374, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1575,1576,
igr2=1579,1580,1581,
&end
#
# 96 MET QG 97 LEU H 4.69 (#peak 1433)
&rst
ixpk= 1433, nxpk= 0, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1575,1576,
&end
#
# 97 LEU H 97 LEU QQD 3.90 (#peak 1332)
&rst
ixpk= 1332, nxpk= 0, iat=1585, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1594,1595,1596,1598,1599,1600,
&end
#
# 97 LEU QQD 98 TYR H 4.42 (#peak 1587)
&rst
ixpk= 1587, nxpk= 0, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1594,1595,1596,1598,1599,1600,
&end
#
# 97 LEU QQD 98 TYR QD 4.90 (#peak 3737)
&rst
ixpk= 3737, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1594,1595,1596,1598,1599,1600,
igr2=1612,1621,
&end
#
# 98 TYR HA 105 LEU QQD 5.44 (#peak 2631)
&rst
ixpk= 2631, nxpk= 0, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1714,1715,1716,1718,1719,1720,
&end
#
# 98 TYR QD 105 LEU QQD 4.50 (#peak 3736)
&rst
ixpk= 3736, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1612,1621,
igr2=1714,1715,1716,1718,1719,1720,
&end
#
# 101 CYS H 101 CYS QB 3.48 (#peak 790)
&rst
ixpk= 790, nxpk= 0, iat=1647, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1651,1652,
&end
#
# 101 CYS H 105 LEU QQD 4.88 (#peak 1645)
&rst
ixpk= 1645, nxpk= 0, iat=1647, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=1714,1715,1716,1718,1719,1720,
&end
#
# 101 CYS QB 102 LYS HA 4.92 (#peak 3216)
&rst
ixpk= 3216, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1651,1652,
&end
#
# 101 CYS QB 103 SER H 5.34 (#peak 1675)
&rst
ixpk= 1675, nxpk= 0, iat= -1,1680, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1651,1652,
&end
#
# 101 CYS QB 105 LEU H 4.79 (#peak 2017)
&rst
ixpk= 2017, nxpk= 0, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1651,1652,
&end
#
# 101 CYS QB 105 LEU QB 3.97 (#peak 3208)
&rst
ixpk= 3208, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1651,1652,
igr2=1709,1710,
&end
#
# 101 CYS QB 105 LEU QQD 4.60 (#peak 3219)
&rst
ixpk= 3219, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=1651,1652,
igr2=1714,1715,1716,1718,1719,1720,
&end
#
# 102 LYS H 102 LYS QD 3.89 (#peak 2039)
&rst
ixpk= 2039, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1668,1669,
&end
#
# 102 LYS H 105 LEU QQD 3.66 (#peak 3228)
&rst
ixpk= 3228, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1714,1715,1716,1718,1719,1720,
&end
#
# 102 LYS HA 105 LEU QB 3.94 (#peak 2586)
&rst
ixpk= 2586, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1709,1710,
&end
#
# 102 LYS HA 105 LEU QQD 4.16 (#peak 2588)
&rst
ixpk= 2588, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1714,1715,1716,1718,1719,1720,
&end
#
# 102 LYS HG2 106 LEU QQD 4.28 (#peak 881)
&rst
ixpk= 881, nxpk= 0, iat=1665, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1733,1734,1735,1737,1738,1739,
&end
#
# 102 LYS HG3 106 LEU QQD 4.48 (#peak 880)
&rst
ixpk= 880, nxpk= 0, iat=1666, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1733,1734,1735,1737,1738,1739,
&end
#
# 102 LYS QE 106 LEU QQD 5.04 (#peak 1846)
&rst
ixpk= 1846, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1=1671,1672,
igr2=1733,1734,1735,1737,1738,1739,
&end
#
# 103 SER H 103 SER QB 3.08 (#peak 1672)
&rst
ixpk= 1672, nxpk= 0, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=1684,1685,
&end
#
# 103 SER H 106 LEU QQD 4.89 (#peak 1681)
&rst
ixpk= 1681, nxpk= 0, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1733,1734,1735,1737,1738,1739,
&end
#
# 103 SER HA 106 LEU QB 3.88 (#peak 2667)
&rst
ixpk= 2667, nxpk= 0, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1728,1729,
&end
#
# 103 SER HA 106 LEU QQD 4.23 (#peak 2666)
&rst
ixpk= 2666, nxpk= 0, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1733,1734,1735,1737,1738,1739,
&end
#
# 104 PRO QB 105 LEU H 3.69 (#peak 2019)
&rst
ixpk= 2019, nxpk= 0, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1698,1699,
&end
#
# 105 LEU H 105 LEU QB 3.06 (#peak 870)
&rst
ixpk= 870, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2=1709,1710,
&end
#
# 105 LEU HA 105 LEU QQD 3.31 (#peak 2447)
&rst
ixpk= 2447, nxpk= 0, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1714,1715,1716,1718,1719,1720,
&end
#
# 105 LEU HA 109 VAL QQG 4.71 (#peak 589)
&rst
ixpk= 589, nxpk= 0, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=1783,1784,1785,1787,1788,1789,
&end
#
# 105 LEU QB 106 LEU H 3.94 (#peak 1493)
&rst
ixpk= 1493, nxpk= 0, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1709,1710,
&end
#
# 105 LEU QQD 106 LEU H 4.63 (#peak 1497)
&rst
ixpk= 1497, nxpk= 0, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1714,1715,1716,1718,1719,1720,
&end
#
# 105 LEU QQD 107 GLU H 5.44 (#peak 932)
&rst
ixpk= 932, nxpk= 0, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1714,1715,1716,1718,1719,1720,
&end
#
# 106 LEU H 106 LEU QB 3.09 (#peak 1494)
&rst
ixpk= 1494, nxpk= 0, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=1728,1729,
&end
#
# 106 LEU H 106 LEU QQD 3.79 (#peak 498)
&rst
ixpk= 498, nxpk= 0, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1733,1734,1735,1737,1738,1739,
&end
#
# 106 LEU H 109 VAL QQG 5.39 (#peak 499)
&rst
ixpk= 499, nxpk= 0, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1783,1784,1785,1787,1788,1789,
&end
#
# 106 LEU HA 106 LEU QQD 3.17 (#peak 522)
&rst
ixpk= 522, nxpk= 0, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1733,1734,1735,1737,1738,1739,
&end
#
# 106 LEU HA 109 VAL QQG 3.41 (#peak 587)
&rst
ixpk= 587, nxpk= 0, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1783,1784,1785,1787,1788,1789,
&end
#
# 106 LEU QB 106 LEU QQD 2.72 (#peak 824)
&rst
ixpk= 824, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1728,1729,
igr2=1733,1734,1735,1737,1738,1739,
&end
#
# 106 LEU QB 107 GLU H 3.37 (#peak 928)
&rst
ixpk= 928, nxpk= 0, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1728,1729,
&end
#
# 106 LEU QQD 107 GLU H 4.93 (#peak 933)
&rst
ixpk= 933, nxpk= 0, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1=1733,1734,1735,1737,1738,1739,
&end
#
# 106 LEU QQD 109 VAL H 5.12 (#peak 1461)
&rst
ixpk= 1461, nxpk= 0, iat= -1,1777, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1733,1734,1735,1737,1738,1739,
&end
#
# 106 LEU QQD 109 VAL HB 5.36 (#peak 3179)
&rst
ixpk= 3179, nxpk= 0, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1=1733,1734,1735,1737,1738,1739,
&end
#
# 106 LEU QQD 109 VAL QQG 4.04 (#peak 561)
&rst
ixpk= 561, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=1733,1734,1735,1737,1738,1739,
igr2=1783,1784,1785,1787,1788,1789,
&end
#
# 106 LEU QQD 110 GLU QG 4.31 (#peak 560)
&rst
ixpk= 560, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1733,1734,1735,1737,1738,1739,
igr2=1800,1801,
&end
#
# 106 LEU QQD 117 VAL QQG 3.79 (#peak 657)
&rst
ixpk= 657, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=1733,1734,1735,1737,1738,1739,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 106 LEU QQD 120 LYS HA 5.44 (#peak 514)
&rst
ixpk= 514, nxpk= 0, iat= -1,1975, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1733,1734,1735,1737,1738,1739,
&end
#
# 106 LEU QQD 120 LYS QG 4.55 (#peak 921)
&rst
ixpk= 921, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1=1733,1734,1735,1737,1738,1739,
igr2=1980,1981,
&end
#
# 106 LEU QQD 120 LYS QE 3.49 (#peak 812)
&rst
ixpk= 812, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1733,1734,1735,1737,1738,1739,
igr2=1986,1987,
&end
#
# 107 GLU H 110 GLU QG 5.34 (#peak 924)
&rst
ixpk= 924, nxpk= 0, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1800,1801,
&end
#
# 108 ILE H 108 ILE QG1 3.11 (#peak 473)
&rst
ixpk= 473, nxpk= 0, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1768,1769,
&end
#
# 108 ILE HA 112 GLN QG 4.41 (#peak 1456)
&rst
ixpk= 1456, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1839,1840,
&end
#
# 108 ILE HA 112 GLN QE2 5.08 (#peak 1807)
&rst
ixpk= 1807, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1844,1845,
&end
#
# 108 ILE QG2 108 ILE QG1 2.96 (#peak 174)
&rst
ixpk= 174, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1=1764,1765,1766,
igr2=1768,1769,
&end
#
# 108 ILE QG2 112 GLN QG 3.75 (#peak 1458)
&rst
ixpk= 1458, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1764,1765,1766,
igr2=1839,1840,
&end
#
# 108 ILE QG2 113 LEU QQD 3.71 (#peak 172)
&rst
ixpk= 172, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1764,1765,1766,
igr2=1858,1859,1860,1862,1863,1864,
&end
#
# 108 ILE QG1 109 VAL H 4.50 (#peak 876)
&rst
ixpk= 876, nxpk= 0, iat= -1,1777, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1768,1769,
&end
#
# 108 ILE QG1 112 GLN QE2 4.67 (#peak 1806)
&rst
ixpk= 1806, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1768,1769,
igr2=1844,1845,
&end
#
# 108 ILE QD1 112 GLN QE2 4.54 (#peak 105)
&rst
ixpk= 105, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1771,1772,1773,
igr2=1844,1845,
&end
#
# 109 VAL H 109 VAL QQG 2.92 (#peak 889)
&rst
ixpk= 889, nxpk= 0, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1783,1784,1785,1787,1788,1789,
&end
#
# 109 VAL H 110 GLU QG 5.15 (#peak 1647)
&rst
ixpk= 1647, nxpk= 0, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1800,1801,
&end
#
# 109 VAL H 113 LEU QQD 4.73 (#peak 890)
&rst
ixpk= 890, nxpk= 0, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1858,1859,1860,1862,1863,1864,
&end
#
# 109 VAL HA 109 VAL QQG 2.99 (#peak 2798)
&rst
ixpk= 2798, nxpk= 0, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1783,1784,1785,1787,1788,1789,
&end
#
# 109 VAL HA 113 LEU QB 3.30 (#peak 2795)
&rst
ixpk= 2795, nxpk= 0, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1853,1854,
&end
#
# 109 VAL HA 113 LEU QQD 3.66 (#peak 2799)
&rst
ixpk= 2799, nxpk= 0, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1858,1859,1860,1862,1863,1864,
&end
#
# 109 VAL QQG 110 GLU H 3.55 (#peak 593)
&rst
ixpk= 593, nxpk= 0, iat= -1,1793, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1783,1784,1785,1787,1788,1789,
&end
#
# 109 VAL QQG 110 GLU HA 4.41 (#peak 574)
&rst
ixpk= 574, nxpk= 0, iat= -1,1795, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1783,1784,1785,1787,1788,1789,
&end
#
# 109 VAL QQG 110 GLU QG 4.47 (#peak 1668)
&rst
ixpk= 1668, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=1783,1784,1785,1787,1788,1789,
igr2=1800,1801,
&end
#
# 109 VAL QQG 111 ARG H 5.44 (#peak 1898)
&rst
ixpk= 1898, nxpk= 0, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1783,1784,1785,1787,1788,1789,
&end
#
# 109 VAL QQG 113 LEU QQD 3.07 (#peak 581)
&rst
ixpk= 581, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1783,1784,1785,1787,1788,1789,
igr2=1858,1859,1860,1862,1863,1864,
&end
#
# 109 VAL QQG 115 MET H 4.98 (#peak 1496)
&rst
ixpk= 1496, nxpk= 0, iat= -1,1885, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=1783,1784,1785,1787,1788,1789,
&end
#
# 110 GLU H 110 GLU QG 3.51 (#peak 555)
&rst
ixpk= 555, nxpk= 0, iat=1793, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1800,1801,
&end
#
# 110 GLU HA 110 GLU QG 3.43 (#peak 1669)
&rst
ixpk= 1669, nxpk= 0, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=1800,1801,
&end
#
# 110 GLU HA 111 ARG QG 5.32 (#peak 2552)
&rst
ixpk= 2552, nxpk= 0, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1815,1816,
&end
#
# 110 GLU HA 117 VAL QQG 5.44 (#peak 2553)
&rst
ixpk= 2553, nxpk= 0, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 110 GLU QB 111 ARG H 3.12 (#peak 1894)
&rst
ixpk= 1894, nxpk= 0, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1=1797,1798,
&end
#
# 110 GLU QB 111 ARG HA 4.60 (#peak 1333)
&rst
ixpk= 1333, nxpk= 0, iat= -1,1810, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1797,1798,
&end
#
# 110 GLU QG 111 ARG H 4.69 (#peak 1899)
&rst
ixpk= 1899, nxpk= 0, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1800,1801,
&end
#
# 110 GLU QG 117 VAL QQG 4.02 (#peak 1663)
&rst
ixpk= 1663, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1800,1801,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 111 ARG H 111 ARG QB 3.34 (#peak 1272)
&rst
ixpk= 1272, nxpk= 0, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1812,1813,
&end
#
# 111 ARG H 111 ARG QG 3.48 (#peak 969)
&rst
ixpk= 969, nxpk= 0, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1815,1816,
&end
#
# 111 ARG HA 111 ARG QG 3.31 (#peak 944)
&rst
ixpk= 944, nxpk= 0, iat=1810, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1815,1816,
&end
#
# 111 ARG QB 112 GLN H 3.61 (#peak 1625)
&rst
ixpk= 1625, nxpk= 0, iat= -1,1832, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1812,1813,
&end
#
# 111 ARG QB 114 GLN H 5.17 (#peak 1730)
&rst
ixpk= 1730, nxpk= 0, iat= -1,1868, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1812,1813,
&end
#
# 112 GLN HA 112 GLN QG 3.27 (#peak 1455)
&rst
ixpk= 1455, nxpk= 0, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1839,1840,
&end
#
# 112 GLN QB 112 GLN QE2 4.59 (#peak 1802)
&rst
ixpk= 1802, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1836,1837,
igr2=1844,1845,
&end
#
# 112 GLN QB 113 LEU QQD 4.78 (#peak 1239)
&rst
ixpk= 1239, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1=1836,1837,
igr2=1858,1859,1860,1862,1863,1864,
&end
#
# 112 GLN QG 112 GLN QE2 3.20 (#peak 1801)
&rst
ixpk= 1801, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1839,1840,
igr2=1844,1845,
&end
#
# 112 GLN QG 113 LEU H 4.45 (#peak 1552)
&rst
ixpk= 1552, nxpk= 0, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1839,1840,
&end
#
# 113 LEU H 113 LEU QB 3.48 (#peak 1986)
&rst
ixpk= 1986, nxpk= 0, iat=1849, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1853,1854,
&end
#
# 113 LEU H 113 LEU QQD 3.71 (#peak 687)
&rst
ixpk= 687, nxpk= 0, iat=1849, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1858,1859,1860,1862,1863,1864,
&end
#
# 113 LEU HA 113 LEU QQD 2.93 (#peak 704)
&rst
ixpk= 704, nxpk= 0, iat=1851, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1858,1859,1860,1862,1863,1864,
&end
#
# 114 GLN HA 114 GLN QE2 4.51 (#peak 1867)
&rst
ixpk= 1867, nxpk= 0, iat=1870, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1880,1881,
&end
#
# 114 GLN QB 114 GLN QE2 3.67 (#peak 1870)
&rst
ixpk= 1870, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1872,1873,
igr2=1880,1881,
&end
#
# 115 MET H 115 MET QG 5.14 (#peak 3181)
&rst
ixpk= 3181, nxpk= 0, iat=1885, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1892,1893,
&end
#
# 115 MET QG 115 MET QE 2.89 (#peak 3348)
&rst
ixpk= 3348, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1=1892,1893,
igr2=1896,1897,1898,
&end
#
# 115 MET QG 116 ASP H 3.81 (#peak 1123)
&rst
ixpk= 1123, nxpk= 0, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1892,1893,
&end
#
# 115 MET QG 116 ASP QB 4.84 (#peak 1796)
&rst
ixpk= 1796, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1892,1893,
igr2=1906,1907,
&end
#
# 116 ASP H 116 ASP QB 3.20 (#peak 1121)
&rst
ixpk= 1121, nxpk= 0, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1906,1907,
&end
#
# 116 ASP HA 117 VAL QQG 3.87 (#peak 405)
&rst
ixpk= 405, nxpk= 0, iat=1904, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 116 ASP QB 117 VAL H 3.66 (#peak 1130)
&rst
ixpk= 1130, nxpk= 0, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1906,1907,
&end
#
# 116 ASP QB 117 VAL QQG 4.41 (#peak 1870)
&rst
ixpk= 1870, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1906,1907,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 116 ASP QB 118 ILE H 5.34 (#peak 1222)
&rst
ixpk= 1222, nxpk= 0, iat= -1,1930, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1906,1907,
&end
#
# 117 VAL H 117 VAL QQG 3.16 (#peak 1127)
&rst
ixpk= 1127, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1920,1921,1922,1924,1925,1926,
&end
#
# 117 VAL QQG 118 ILE H 3.08 (#peak 81)
&rst
ixpk= 81, nxpk= 0, iat= -1,1930, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1920,1921,1922,1924,1925,1926,
&end
#
# 117 VAL QQG 119 ARG H 3.37 (#peak 644)
&rst
ixpk= 644, nxpk= 0, iat= -1,1949, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1920,1921,1922,1924,1925,1926,
&end
#
# 117 VAL QQG 119 ARG HA 4.14 (#peak 651)
&rst
ixpk= 651, nxpk= 0, iat= -1,1951, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1920,1921,1922,1924,1925,1926,
&end
#
# 117 VAL QQG 120 LYS H 4.85 (#peak 197)
&rst
ixpk= 197, nxpk= 0, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1920,1921,1922,1924,1925,1926,
&end
#
# 117 VAL QQG 120 LYS HA 4.27 (#peak 2352)
&rst
ixpk= 2352, nxpk= 0, iat= -1,1975, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1920,1921,1922,1924,1925,1926,
&end
#
# 117 VAL QQG 120 LYS QD 3.86 (#peak 656)
&rst
ixpk= 656, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1920,1921,1922,1924,1925,1926,
igr2=1983,1984,
&end
#
# 117 VAL QQG 121 ILE H 5.11 (#peak 648)
&rst
ixpk= 648, nxpk= 0, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=1920,1921,1922,1924,1925,1926,
&end
#
# 118 ILE HA 118 ILE QG1 3.28 (#peak 1092)
&rst
ixpk= 1092, nxpk= 0, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1940,1941,
&end
#
# 118 ILE HB 138 VAL QQG 4.68 (#peak 557)
&rst
ixpk= 557, nxpk= 0, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2=2256,2257,2258,2260,2261,2262,
&end
#
# 118 ILE QG2 118 ILE QG1 3.18 (#peak 195)
&rst
ixpk= 195, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1936,1937,1938,
igr2=1940,1941,
&end
#
# 118 ILE QG2 119 ARG QB 3.93 (#peak 3153)
&rst
ixpk= 3153, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1936,1937,1938,
igr2=1953,1954,
&end
#
# 118 ILE QG2 138 VAL QQG 3.19 (#peak 342)
&rst
ixpk= 342, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1936,1937,1938,
igr2=2256,2257,2258,2260,2261,2262,
&end
#
# 118 ILE QG1 119 ARG H 5.11 (#peak 774)
&rst
ixpk= 774, nxpk= 0, iat= -1,1949, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1940,1941,
&end
#
# 118 ILE QG1 138 VAL QQG 4.56 (#peak 1178)
&rst
ixpk= 1178, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1940,1941,
igr2=2256,2257,2258,2260,2261,2262,
&end
#
# 118 ILE QD1 138 VAL QQG 3.55 (#peak 31)
&rst
ixpk= 31, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1943,1944,1945,
igr2=2256,2257,2258,2260,2261,2262,
&end
#
# 119 ARG H 119 ARG QB 3.51 (#peak 775)
&rst
ixpk= 775, nxpk= 0, iat=1949, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1953,1954,
&end
#
# 119 ARG H 119 ARG QG 5.34 (#peak 774)
&rst
ixpk= 774, nxpk= 0, iat=1949, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1956,1957,
&end
#
# 119 ARG QB 119 ARG HE 3.88 (#peak 1196)
&rst
ixpk= 1196, nxpk= 0, iat= -1,1962, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1953,1954,
&end
#
# 119 ARG QB 120 LYS H 3.94 (#peak 195)
&rst
ixpk= 195, nxpk= 0, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1953,1954,
&end
#
# 119 ARG QB 121 ILE H 4.72 (#peak 1280)
&rst
ixpk= 1280, nxpk= 0, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1953,1954,
&end
#
# 119 ARG QB 121 ILE HG12 4.80 (#peak 3155)
&rst
ixpk= 3155, nxpk= 0, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1953,1954,
&end
#
# 119 ARG QG 119 ARG HE 3.53 (#peak 1195)
&rst
ixpk= 1195, nxpk= 0, iat= -1,1962, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1956,1957,
&end
#
# 119 ARG QG 138 VAL QQG 3.48 (#peak 559)
&rst
ixpk= 559, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1956,1957,
igr2=2256,2257,2258,2260,2261,2262,
&end
#
# 119 ARG QD 120 LYS QB 3.73 (#peak 1367)
&rst
ixpk= 1367, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1959,1960,
igr2=1977,1978,
&end
#
# 119 ARG QD 138 VAL QQG 4.79 (#peak 1886)
&rst
ixpk= 1886, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1=1959,1960,
igr2=2256,2257,2258,2260,2261,2262,
&end
#
# 119 ARG HE 120 LYS QB 5.34 (#peak 1197)
&rst
ixpk= 1197, nxpk= 0, iat=1962, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1977,1978,
&end
#
# 119 ARG HE 138 VAL QQG 4.63 (#peak 1194)
&rst
ixpk= 1194, nxpk= 0, iat=1962, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=2256,2257,2258,2260,2261,2262,
&end
#
# 120 LYS H 120 LYS QB 3.44 (#peak 193)
&rst
ixpk= 193, nxpk= 0, iat=1973, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1977,1978,
&end
#
# 120 LYS QB 120 LYS QE 4.27 (#peak 1920)
&rst
ixpk= 1920, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1977,1978,
igr2=1986,1987,
&end
#
# 120 LYS QB 121 ILE H 4.05 (#peak 218)
&rst
ixpk= 218, nxpk= 0, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1977,1978,
&end
#
# 121 ILE QG2 134 LEU QQD 4.00 (#peak 749)
&rst
ixpk= 749, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=2001,2002,2003,
igr2=2192,2193,2194,2196,2197,2198,
&end
#
# 121 ILE QG2 137 GLU QG 4.55 (#peak 1616)
&rst
ixpk= 1616, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=2001,2002,2003,
igr2=2242,2243,
&end
#
# 121 ILE QD1 137 GLU QG 3.99 (#peak 1615)
&rst
ixpk= 1615, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=2008,2009,2010,
igr2=2242,2243,
&end
#
# 123 ILE QG2 124 ASP QB 5.34 (#peak 336)
&rst
ixpk= 336, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=2035,2036,2037,
igr2=2052,2053,
&end
#
# 123 ILE QG2 125 ASN QD2 4.97 (#peak 327)
&rst
ixpk= 327, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=2035,2036,2037,
igr2=2069,2070,
&end
#
# 123 ILE QG2 126 GLY QA 4.18 (#peak 334)
&rst
ixpk= 334, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=2035,2036,2037,
igr2=2076,2077,
&end
#
# 123 ILE QG2 128 GLU QB 3.52 (#peak 341)
&rst
ixpk= 341, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=2035,2036,2037,
igr2=2097,2098,
&end
#
# 123 ILE HG12 126 GLY QA 4.14 (#peak 2091)
&rst
ixpk= 2091, nxpk= 0, iat=2039, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2076,2077,
&end
#
# 123 ILE HG13 126 GLY QA 4.24 (#peak 2092)
&rst
ixpk= 2092, nxpk= 0, iat=2040, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=2076,2077,
&end
#
# 123 ILE QD1 124 ASP QB 4.98 (#peak 128)
&rst
ixpk= 128, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=2042,2043,2044,
igr2=2052,2053,
&end
#
# 124 ASP QB 125 ASN H 3.83 (#peak 1167)
&rst
ixpk= 1167, nxpk= 0, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=2052,2053,
&end
#
# 124 ASP QB 126 GLY H 5.04 (#peak 701)
&rst
ixpk= 701, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=2052,2053,
&end
#
# 125 ASN H 125 ASN QD2 4.22 (#peak 750)
&rst
ixpk= 750, nxpk= 0, iat=2060, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2069,2070,
&end
#
# 125 ASN H 126 GLY QA 4.78 (#peak 1707)
&rst
ixpk= 1707, nxpk= 0, iat=2060, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2076,2077,
&end
#
# 125 ASN HA 125 ASN QD2 4.56 (#peak 1714)
&rst
ixpk= 1714, nxpk= 0, iat=2062, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2069,2070,
&end
#
# 125 ASN QB 125 ASN QD2 3.05 (#peak 1719)
&rst
ixpk= 1719, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=2064,2065,
igr2=2069,2070,
&end
#
# 125 ASN QB 127 ASP H 4.26 (#peak 1565)
&rst
ixpk= 1565, nxpk= 0, iat= -1,2081, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=2064,2065,
&end
#
# 125 ASN QD2 127 ASP H 4.55 (#peak 482)
&rst
ixpk= 482, nxpk= 0, iat= -1,2081, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=2069,2070,
&end
#
# 125 ASN QD2 127 ASP QB 3.73 (#peak 1715)
&rst
ixpk= 1715, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=2069,2070,
igr2=2085,2086,
&end
#
# 125 ASN QD2 128 GLU HG2 4.29 (#peak 1716)
&rst
ixpk= 1716, nxpk= 0, iat= -1,2100, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=2069,2070,
&end
#
# 125 ASN QD2 128 GLU HG3 4.16 (#peak 1717)
&rst
ixpk= 1717, nxpk= 0, iat= -1,2101, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=2069,2070,
&end
#
# 126 GLY QA 129 LEU H 5.08 (#peak 2099)
&rst
ixpk= 2099, nxpk= 0, iat= -1,2108, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=2076,2077,
&end
#
# 126 GLY QA 129 LEU QQD 3.39 (#peak 3234)
&rst
ixpk= 3234, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=2076,2077,
igr2=2117,2118,2119,2121,2122,2123,
&end
#
# 128 GLU H 128 GLU QB 3.26 (#peak 2000)
&rst
ixpk= 2000, nxpk= 0, iat=2093, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=2097,2098,
&end
#
# 128 GLU HA 129 LEU QQD 5.44 (#peak 3021)
&rst
ixpk= 3021, nxpk= 0, iat=2095, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=2117,2118,2119,2121,2122,2123,
&end
#
# 129 LEU H 129 LEU QB 3.17 (#peak 2023)
&rst
ixpk= 2023, nxpk= 0, iat=2108, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2=2112,2113,
&end
#
# 129 LEU H 129 LEU QQD 4.26 (#peak 3230)
&rst
ixpk= 3230, nxpk= 0, iat=2108, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=2117,2118,2119,2121,2122,2123,
&end
#
# 129 LEU HA 129 LEU QQD 3.13 (#peak 712)
&rst
ixpk= 712, nxpk= 0, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=2117,2118,2119,2121,2122,2123,
&end
#
# 129 LEU HA 134 LEU QQD 3.93 (#peak 740)
&rst
ixpk= 740, nxpk= 0, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2192,2193,2194,2196,2197,2198,
&end
#
# 129 LEU QB 129 LEU QQD 2.74 (#peak 711)
&rst
ixpk= 711, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=2112,2113,
igr2=2117,2118,2119,2121,2122,2123,
&end
#
# 129 LEU QB 130 THR H 3.98 (#peak 667)
&rst
ixpk= 667, nxpk= 0, iat= -1,2127, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=2112,2113,
&end
#
# 129 LEU QB 133 PHE QD 5.34 (#peak 3688)
&rst
ixpk= 3688, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2112,2113,
igr2=2171,2179,
&end
#
# 129 LEU QQD 130 THR H 3.93 (#peak 688)
&rst
ixpk= 688, nxpk= 0, iat= -1,2127, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2117,2118,2119,2121,2122,2123,
&end
#
# 129 LEU QQD 133 PHE HB3 4.49 (#peak 715)
&rst
ixpk= 715, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2117,2118,2119,2121,2122,2123,
&end
#
# 129 LEU QQD 133 PHE QD 3.42 (#peak 3636)
&rst
ixpk= 3636, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=2117,2118,2119,2121,2122,2123,
igr2=2171,2179,
&end
#
# 129 LEU QQD 134 LEU HA 5.05 (#peak 716)
&rst
ixpk= 716, nxpk= 0, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2117,2118,2119,2121,2122,2123,
&end
#
# 130 THR H 134 LEU QQD 4.15 (#peak 752)
&rst
ixpk= 752, nxpk= 0, iat=2127, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=2192,2193,2194,2196,2197,2198,
&end
#
# 130 THR QG2 132 ASP QB 4.05 (#peak 473)
&rst
ixpk= 473, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=2133,2134,2135,
igr2=2155,2156,
&end
#
# 131 ALA H 132 ASP QB 4.69 (#peak 1075)
&rst
ixpk= 1075, nxpk= 0, iat=2141, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=2155,2156,
&end
#
# 131 ALA HA 132 ASP QB 5.34 (#peak 2924)
&rst
ixpk= 2924, nxpk= 0, iat=2143, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2155,2156,
&end
#
# 131 ALA QB 132 ASP QB 4.46 (#peak 274)
&rst
ixpk= 274, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=2145,2146,2147,
igr2=2155,2156,
&end
#
# 132 ASP H 132 ASP QB 2.89 (#peak 833)
&rst
ixpk= 833, nxpk= 0, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=2155,2156,
&end
#
# 132 ASP QB 133 PHE H 3.39 (#peak 1399)
&rst
ixpk= 1399, nxpk= 0, iat= -1,2163, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=2155,2156,
&end
#
# 132 ASP QB 133 PHE QD 5.34 (#peak 1874)
&rst
ixpk= 1874, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2155,2156,
igr2=2171,2179,
&end
#
# 133 PHE QD 134 LEU QQD 3.72 (#peak 736)
&rst
ixpk= 736, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=2171,2179,
igr2=2192,2193,2194,2196,2197,2198,
&end
#
# 133 PHE QD 137 GLU QG 4.09 (#peak 1607)
&rst
ixpk= 1607, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=2171,2179,
igr2=2242,2243,
&end
#
# 134 LEU H 134 LEU QQD 3.81 (#peak 753)
&rst
ixpk= 753, nxpk= 0, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2192,2193,2194,2196,2197,2198,
&end
#
# 134 LEU H 136 ASP QB 5.34 (#peak 1450)
&rst
ixpk= 1450, nxpk= 0, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2227,2228,
&end
#
# 134 LEU HA 134 LEU QQD 3.15 (#peak 741)
&rst
ixpk= 741, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=2192,2193,2194,2196,2197,2198,
&end
#
# 134 LEU HA 138 VAL QQG 4.63 (#peak 694)
&rst
ixpk= 694, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=2256,2257,2258,2260,2261,2262,
&end
#
# 134 LEU QQD 135 TYR H 4.33 (#peak 1491)
&rst
ixpk= 1491, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=2192,2193,2194,2196,2197,2198,
&end
#
# 135 TYR H 136 ASP QB 4.44 (#peak 1487)
&rst
ixpk= 1487, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=2227,2228,
&end
#
# 135 TYR HA 138 VAL QQG 4.35 (#peak 693)
&rst
ixpk= 693, nxpk= 0, iat=2204, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=2256,2257,2258,2260,2261,2262,
&end
#
# 135 TYR QD 136 ASP QB 4.50 (#peak 3677)
&rst
ixpk= 3677, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2210,2219,
igr2=2227,2228,
&end
#
# 136 ASP H 136 ASP QB 2.84 (#peak 879)
&rst
ixpk= 879, nxpk= 0, iat=2223, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2=2227,2228,
&end
#
# 136 ASP H 137 GLU QG 4.85 (#peak 891)
&rst
ixpk= 891, nxpk= 0, iat=2223, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2242,2243,
&end
#
# 136 ASP QB 137 GLU H 3.50 (#peak 788)
&rst
ixpk= 788, nxpk= 0, iat= -1,2235, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2227,2228,
&end
#
# 136 ASP QB 137 GLU QB 5.34 (#peak 1794)
&rst
ixpk= 1794, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2227,2228,
igr2=2239,2240,
&end
#
# 137 GLU H 137 GLU QG 3.43 (#peak 799)
&rst
ixpk= 799, nxpk= 0, iat=2235, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=2242,2243,
&end
#
# 137 GLU H 138 VAL QQG 4.11 (#peak 801)
&rst
ixpk= 801, nxpk= 0, iat=2235, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=2256,2257,2258,2260,2261,2262,
&end
#
# 137 GLU HA 137 GLU QG 3.61 (#peak 2463)
&rst
ixpk= 2463, nxpk= 0, iat=2237, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=2242,2243,
&end
#
# 138 VAL H 138 VAL QQG 3.04 (#peak 874)
&rst
ixpk= 874, nxpk= 0, iat=2250, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=2256,2257,2258,2260,2261,2262,
&end
#
# 138 VAL H 140 PRO QD 5.10 (#peak 888)
&rst
ixpk= 888, nxpk= 0, iat=2250, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=2284,2285,
&end
#
# 138 VAL HA 138 VAL QQG 3.00 (#peak 695)
&rst
ixpk= 695, nxpk= 0, iat=2252, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2256,2257,2258,2260,2261,2262,
&end
#
# 138 VAL QQG 139 HIS H 3.56 (#peak 851)
&rst
ixpk= 851, nxpk= 0, iat= -1,2266, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2256,2257,2258,2260,2261,2262,
&end
#
# 138 VAL QQG 139 HIS HA 4.02 (#peak 521)
&rst
ixpk= 521, nxpk= 0, iat= -1,2268, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=2256,2257,2258,2260,2261,2262,
&end
#
# 138 VAL QQG 139 HIS HD2 4.42 (#peak 3511)
&rst
ixpk= 3511, nxpk= 0, iat= -1,2279, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=2256,2257,2258,2260,2261,2262,
&end
#
# 138 VAL QQG 140 PRO QD 5.17 (#peak 694)
&rst
ixpk= 694, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=2256,2257,2258,2260,2261,2262,
igr2=2284,2285,
&end
#
# 139 HIS H 140 PRO QD 3.75 (#peak 1568)
&rst
ixpk= 1568, nxpk= 0, iat=2266, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=2284,2285,
&end
#
# 139 HIS HA 140 PRO QD 3.17 (#peak 2168)
&rst
ixpk= 2168, nxpk= 0, iat=2268, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2=2284,2285,
&end
#
# 140 PRO QD 141 LYS H 4.96 (#peak 1081)
&rst
ixpk= 1081, nxpk= 0, iat= -1,2297, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=2284,2285,
&end
#
# 141 LYS H 141 LYS QB 2.92 (#peak 1082)
&rst
ixpk= 1082, nxpk= 0, iat=2297, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2=2301,2302,
&end
#
# 142 GLN H 142 GLN QB 2.81 (#peak 1143)
&rst
ixpk= 1143, nxpk= 0, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2=2323,2324,
&end
#
# 142 GLN QB 142 GLN QG 2.29 (#peak 1549)
&rst
ixpk= 1549, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,
igr1=2323,2324,
igr2=2326,2327,
&end
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