NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
619767 |
5mhd   |
34070 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: StrIns_All.RST
#
# 105 HIS HA 106 LEU H 3.21 (#peak 1 #SUP 1.00 #QF 0.80)
&rst
ixpk= 1, nxpk= 0, iat= 404, 419, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 6 CYSS HA 11 CYSS H 4.34 (#peak 3 #SUP 0.64 #QF 0.64)
&rst
ixpk= 3, nxpk= 0, iat= 80, 142, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 10 ILE HA 11 CYSS H 3.44 (#peak 4 #SUP 1.00)
&rst
ixpk= 4, nxpk= 0, iat= 125, 142, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 11 CYSS H 11 CYSS HB2 4.16 (#peak 5 #SUP 0.98 #QF 0.98)
&rst
ixpk= 5, nxpk= 0, iat= 142, 146, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 11 CYSS H 11 CYSS HB3 4.16 (#peak 6 #SUP 1.00)
&rst
ixpk= 6, nxpk= 0, iat= 142, 147, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 10 ILE HB 11 CYSS H 4.19 (#peak 10 #SUP 0.99 #QF 0.99)
&rst
ixpk= 10, nxpk= 0, iat= 127, 142, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 10 ILE QG2 11 CYSS H 3.96 (#peak 11 #SUP 1.00)
&rst
ixpk= 11, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 129, 130, 131,
&end
#
# 10 ILE QD1 11 CYSS H 5.22 (#peak 12 #SUP 0.97 #QF 0.91)
&rst
ixpk= 12, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 136, 137, 138,
&end
#
# 120 GLY H 120 GLY QA 2.82 (#peak 16 #SUP 1.00 #QF 0.99)
&rst
ixpk= 16, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr2= 630, 631,
&end
#
# 10 ILE H 10 ILE HB 3.99 (#peak 18 #SUP 1.00)
&rst
ixpk= 18, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 10 ILE H 10 ILE HG12 4.11 (#peak 19 #SUP 0.92 #QF 0.92)
&rst
ixpk= 19, nxpk= 0, iat= 123, 133, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 10 ILE H 10 ILE HG13 4.11 (#peak 23 #SUP 0.89 #QF 0.83)
&rst
ixpk= 23, nxpk= 0, iat= 123, 134, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 10 ILE H 10 ILE QD1 4.61 (#peak 23 #SUP 0.89 #QF 0.83)
&rst
ixpk= 23, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 136, 137, 138,
&end
#
# 118 VAL QG1 120 GLY H 5.50 (#peak 29 #SUP 0.91 #QF 0.91)
&rst
ixpk= 29, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 608, 609, 610,
&end
#
# 118 VAL QG2 120 GLY H 5.50 (#peak 30 #SUP 0.93 #QF 0.93)
&rst
ixpk= 30, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 612, 613, 614,
&end
#
# 10 ILE H 10 ILE QG2 4.32 (#peak 31 #SUP 1.00)
&rst
ixpk= 31, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 129, 130, 131,
&end
#
# 8 THR HB 9 SER H 4.09 (#peak 34 #SUP 1.00)
&rst
ixpk= 34, nxpk= 0, iat= 102, 112, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 5 GLN HA 9 SER H 3.94 (#peak 37 #SUP 0.99 #QF 0.50)
&rst
ixpk= 37, nxpk= 0, iat= 63, 112, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 7 CYSS HB3 8 THR H 4.15 (#peak 43 #SUP 1.00)
&rst
ixpk= 43, nxpk= 0, iat= 93, 98, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 4 GLU H 4 GLU HB2 3.31 (#peak 44 #SUP 0.94 #QF 0.94)
&rst
ixpk= 44, nxpk= 0, iat= 46, 50, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 3 VAL HB 4 GLU H 2.94 (#peak 50 #SUP 0.86 #QF 0.81)
&rst
ixpk= 50, nxpk= 0, iat= 34, 46, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 4 GLU H 4 GLU HB3 3.31 (#peak 50 #SUP 0.86 #QF 0.81)
&rst
ixpk= 50, nxpk= 0, iat= 46, 51, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 8 THR H 8 THR QG2 3.83 (#peak 51 #SUP 1.00)
&rst
ixpk= 51, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 104, 105, 106,
&end
#
# 7 CYSS H 7 CYSS HB2 3.60 (#peak 54 #SUP 1.00)
&rst
ixpk= 54, nxpk= 0, iat= 88, 92, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 7 CYSS H 7 CYSS HB3 3.60 (#peak 56 #SUP 0.99 #QF 0.63)
&rst
ixpk= 56, nxpk= 0, iat= 88, 93, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 7 CYSS H 8 THR QG2 4.30 (#peak 58 #SUP 0.99 #QF 0.99)
&rst
ixpk= 58, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 104, 105, 106,
&end
#
# 3 VAL HA 5 GLN H 4.86 (#peak 61 #SUP 0.90 #QF 0.68)
&rst
ixpk= 61, nxpk= 0, iat= 32, 61, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 3 VAL HA 7 CYSS H 5.27 (#peak 61 #SUP 0.90 #QF 0.68)
&rst
ixpk= 61, nxpk= 0, iat= 32, 88, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 120 GLY H 121 GLU H 4.75 (#peak 75 #SUP 1.00)
&rst
ixpk= 75, nxpk= 0, iat= 628, 635, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 121 GLU H 123 GLY H 5.18 (#peak 75 #SUP 1.00)
&rst
ixpk= 75, nxpk= 0, iat= 635, 674, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 118 VAL H 120 GLY H 4.65 (#peak 77 #SUP 1.00)
&rst
ixpk= 77, nxpk= 0, iat= 602, 628, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 119 CYSS H 120 GLY H 3.38 (#peak 80 #SUP 1.00)
&rst
ixpk= 80, nxpk= 0, iat= 618, 628, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 10 ILE QG2 10 ILE QD1 2.78 (#peak 93 #SUP 0.78 #QF 0.26)
&rst
ixpk= 93, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 129, 130, 131,
igr2= 136, 137, 138,
&end
#
# 10 ILE HB 10 ILE QD1 3.65 (#peak 97 #SUP 1.00)
&rst
ixpk= 97, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 136, 137, 138,
&end
#
# 10 ILE QD1 103 LYS QD 3.99 (#peak 98 #SUP 0.95 #QF 0.66)
&rst
ixpk= 98, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 136, 137, 138,
igr2= 373, 374,
&end
#
# 8 THR H 9 SER H 3.58 (#peak 100 #SUP 1.00)
&rst
ixpk= 100, nxpk= 0, iat= 98, 112, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 7 CYSS H 9 SER H 4.24 (#peak 103 #SUP 0.98 #QF 0.98)
&rst
ixpk= 103, nxpk= 0, iat= 88, 112, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 6 CYSS H 9 SER H 4.59 (#peak 104 #SUP 0.80 #QF 0.80)
&rst
ixpk= 104, nxpk= 0, iat= 78, 112, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 4 GLU H 5 GLN H 3.27 (#peak 116 #SUP 1.00 #QF 0.81)
&rst
ixpk= 116, nxpk= 0, iat= 46, 61, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 7 CYSS H 8 THR H 3.48 (#peak 116 #SUP 1.00 #QF 0.81)
&rst
ixpk= 116, nxpk= 0, iat= 88, 98, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 115 LEU H 118 VAL H 5.30 (#peak 118 #SUP 0.99 #QF 0.99)
&rst
ixpk= 118, nxpk= 0, iat= 543, 602, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 2 ILE H 4 GLU H 4.44 (#peak 119 #SUP 0.92 #QF 0.92)
&rst
ixpk= 119, nxpk= 0, iat= 11, 46, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 8 THR HA 8 THR QG2 3.25 (#peak 126 #SUP 1.00)
&rst
ixpk= 126, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 104, 105, 106,
&end
#
# 7 CYSS HB3 8 THR QG2 4.72 (#peak 130 #SUP 1.00)
&rst
ixpk= 130, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 104, 105, 106,
&end
#
# 7 CYSS HB2 8 THR QG2 4.72 (#peak 136 #SUP 1.00)
&rst
ixpk= 136, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 104, 105, 106,
&end
#
# 7 CYSS HB2 107 CYSS HA 3.85 (#peak 142 #SUP 0.94 #QF 0.94)
&rst
ixpk= 142, nxpk= 0, iat= 92, 440, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 7 CYSS HB3 107 CYSS HA 3.85 (#peak 158 #SUP 0.82 #QF 0.82)
&rst
ixpk= 158, nxpk= 0, iat= 93, 440, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 5 GLN HA 6 CYSS H 3.55 (#peak 161 #SUP 1.00)
&rst
ixpk= 161, nxpk= 0, iat= 63, 78, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 6 CYSS H 6 CYSS HB2 3.79 (#peak 163 #SUP 0.93 #QF 0.93)
&rst
ixpk= 163, nxpk= 0, iat= 78, 82, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 6 CYSS H 6 CYSS HB3 3.79 (#peak 164 #SUP 1.00)
&rst
ixpk= 164, nxpk= 0, iat= 78, 83, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 5 GLN HB2 6 CYSS H 3.32 (#peak 166 #SUP 0.96 #QF 0.96)
&rst
ixpk= 166, nxpk= 0, iat= 65, 78, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 5 GLN HB3 6 CYSS H 3.32 (#peak 167 #SUP 0.40 #QF 0.40)
&rst
ixpk= 167, nxpk= 0, iat= 66, 78, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 115 LEU QD1 116 TYR H 5.30 (#peak 179 #SUP 0.94 #QF 0.79)
&rst
ixpk= 179, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 552, 553, 554,
&end
#
# 4 GLU HA 7 CYSS H 4.46 (#peak 189 #SUP 1.00)
&rst
ixpk= 189, nxpk= 0, iat= 48, 88, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 5 GLN H 5 GLN HG2 4.67 (#peak 191 #SUP 1.00)
&rst
ixpk= 191, nxpk= 0, iat= 61, 68, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 5 GLN H 5 GLN HG3 4.67 (#peak 199 #SUP 0.99 #QF 0.99)
&rst
ixpk= 199, nxpk= 0, iat= 61, 69, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 5 GLN HA 5 GLN HG2 3.74 (#peak 202 #SUP 1.00)
&rst
ixpk= 202, nxpk= 0, iat= 63, 68, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 5 GLN HA 5 GLN HG3 3.74 (#peak 204 #SUP 0.92 #QF 0.92)
&rst
ixpk= 204, nxpk= 0, iat= 63, 69, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 5 GLN HA 5 GLN HE21 5.08 (#peak 216 #SUP 0.91 #QF 0.88)
&rst
ixpk= 216, nxpk= 0, iat= 63, 73, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 5 GLN HB3 5 GLN HE21 4.65 (#peak 222 #SUP 0.55 #QF 0.55)
&rst
ixpk= 222, nxpk= 0, iat= 66, 73, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 5 GLN HA 5 GLN HE22 5.50 (#peak 224 #SUP 0.70 #QF 0.61)
&rst
ixpk= 224, nxpk= 0, iat= 63, 74, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 VAL H 102 VAL QG1 3.86 (#peak 233 #SUP 0.93 #QF 0.29)
&rst
ixpk= 233, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 353, 354, 355,
&end
#
# 102 VAL H 102 VAL QG2 3.86 (#peak 233 #SUP 0.93 #QF 0.29)
&rst
ixpk= 233, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 357, 358, 359,
&end
#
# 1 GLY QA 3 VAL H 4.10 (#peak 246 #SUP 0.97 #QF 0.38)
&rst
ixpk= 246, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 6, 7,
&end
#
# 3 VAL H 3 VAL QG1 3.82 (#peak 248 #SUP 1.00)
&rst
ixpk= 248, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 36, 37, 38,
&end
#
# 3 VAL H 3 VAL QG2 3.82 (#peak 249 #SUP 1.00)
&rst
ixpk= 249, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 40, 41, 42,
&end
#
# 3 VAL H 3 VAL HB 3.08 (#peak 254 #SUP 1.00)
&rst
ixpk= 254, nxpk= 0, iat= 30, 34, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 2 ILE QD1 3 VAL H 5.49 (#peak 258 #SUP 0.93 #QF 0.89)
&rst
ixpk= 258, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 24, 25, 26,
&end
#
# 2 ILE QD1 16 LEU H 5.50 (#peak 258 #SUP 0.93 #QF 0.89)
&rst
ixpk= 258, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 24, 25, 26,
&end
#
# 3 VAL H 19 TYR QE 5.50 (#peak 260 #SUP 0.72 #QF 0.46)
&rst
ixpk= 260, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 278, 283,
&end
#
# 19 TYR QE 125 PHE H 5.50 (#peak 260 #SUP 0.72 #QF 0.46)
&rst
ixpk= 260, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 278, 283,
&end
#
# 2 ILE H 3 VAL H 3.73 (#peak 261 #SUP 1.00)
&rst
ixpk= 261, nxpk= 0, iat= 11, 30, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 3 VAL HA 3 VAL QG1 3.69 (#peak 270 #SUP 0.99 #QF 0.99)
&rst
ixpk= 270, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 36, 37, 38,
&end
#
# 3 VAL HA 3 VAL QG2 3.69 (#peak 271 #SUP 1.00)
&rst
ixpk= 271, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 40, 41, 42,
&end
#
# 3 VAL HA 111 LEU QD1 4.99 (#peak 274 #SUP 0.77 #QF 0.77)
&rst
ixpk= 274, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 492, 493, 494,
&end
#
# 2 ILE QG2 3 VAL HA 4.75 (#peak 276 #SUP 1.00)
&rst
ixpk= 276, nxpk= 0, iat= -1, 32, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 17, 18, 19,
&end
#
# 3 VAL HA 111 LEU QD2 4.99 (#peak 276 #SUP 1.00)
&rst
ixpk= 276, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 496, 497, 498,
&end
#
# 2 ILE HA 5 GLN HB3 3.74 (#peak 284 #SUP 0.97 #QF 0.23)
&rst
ixpk= 284, nxpk= 0, iat= 13, 66, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 2 ILE QG2 2 ILE HG13 3.24 (#peak 287 #SUP 0.98 #QF 0.63) #1.0
&rst
ixpk= 287, nxpk= 0, iat= -1, 22, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 17, 18, 19,
&end
#
# 15 GLN H 15 GLN HG2 3.34 (#peak 292 #SUP 0.40 #QF 0.40)
&rst
ixpk= 292, nxpk= 0, iat= 203, 210, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 15 GLN H 15 GLN HG3 3.34 (#peak 293 #SUP 0.46 #QF 0.46)
&rst
ixpk= 293, nxpk= 0, iat= 203, 211, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 15 GLN H 16 LEU H 3.46 (#peak 299 #SUP 1.00)
&rst
ixpk= 299, nxpk= 0, iat= 203, 220, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 12 SER H 15 GLN H 4.39 (#peak 302 #SUP 1.00)
&rst
ixpk= 302, nxpk= 0, iat= 152, 203, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 15 GLN HA 15 GLN HG3 3.81 (#peak 307 #SUP 0.95 #QF 0.95)
&rst
ixpk= 307, nxpk= 0, iat= 205, 211, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 15 GLN HA 15 GLN HG2 3.81 (#peak 309 #SUP 0.91 #QF 0.91)
&rst
ixpk= 309, nxpk= 0, iat= 205, 210, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 15 GLN HA 18 ASN HD22 5.50 (#peak 313 #SUP 0.66 #QF 0.66)
&rst
ixpk= 313, nxpk= 0, iat= 205, 264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 TYR HA 14 TYR QD 3.58 (#peak 320 #SUP 0.99 #QF 0.99)
&rst
ixpk= 320, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 190, 199,
&end
#
# 14 TYR QD 15 GLN HA 5.50 (#peak 325 #SUP 0.90 #QF 0.22)
&rst
ixpk= 325, nxpk= 0, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 190, 199,
&end
#
# 15 GLN HA 15 GLN HE21 5.50 (#peak 325 #SUP 0.90 #QF 0.22)
&rst
ixpk= 325, nxpk= 0, iat= 205, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 TYR H 14 TYR QD 3.92 (#peak 331 #SUP 0.88 #QF 0.88)
&rst
ixpk= 331, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 190, 199,
&end
#
# 15 GLN HA 15 GLN HE22 5.50 (#peak 334 #SUP 0.76 #QF 0.76)
&rst
ixpk= 334, nxpk= 0, iat= 205, 216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 CYSS HA 106 LEU H 3.59 (#peak 343 #SUP 0.79 #QF 0.79)
&rst
ixpk= 343, nxpk= 0, iat= 90, 419, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 106 LEU H 106 LEU HB3 3.96 (#peak 347 #SUP 0.96 #QF 0.96)
&rst
ixpk= 347, nxpk= 0, iat= 419, 424, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 106 LEU H 106 LEU HB2 3.77 (#peak 352 #SUP 1.00)
&rst
ixpk= 352, nxpk= 0, iat= 419, 423, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 106 LEU H 106 LEU HG 4.61 (#peak 353 #SUP 0.87 #QF 0.87)
&rst
ixpk= 353, nxpk= 0, iat= 419, 426, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 106 LEU H 106 LEU QD1 4.68 (#peak 355 #SUP 0.93 #QF 0.93)
&rst
ixpk= 355, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 428, 429, 430,
&end
#
# 106 LEU H 106 LEU QD2 4.68 (#peak 356 #SUP 0.97 #QF 0.93)
&rst
ixpk= 356, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 432, 433, 434,
&end
#
# 108 GLY H 111 LEU QD2 5.09 (#peak 356 #SUP 0.97 #QF 0.93)
&rst
ixpk= 356, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 496, 497, 498,
&end
#
# 105 HIS H 106 LEU H 4.58 (#peak 359 #SUP 1.00)
&rst
ixpk= 359, nxpk= 0, iat= 402, 419, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 10 ILE QG2 104 GLN HA 4.07 (#peak 365 #SUP 0.86 #QF 0.68)
&rst
ixpk= 365, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 129, 130, 131,
&end
#
# 10 ILE QG2 105 HIS HA 4.24 (#peak 365 #SUP 0.86 #QF 0.68)
&rst
ixpk= 365, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 129, 130, 131,
&end
#
# 106 LEU HB2 106 LEU QD1 3.37 (#peak 371 #SUP 0.87 #QF 0.87)
&rst
ixpk= 371, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 428, 429, 430,
&end
#
# 106 LEU HB2 106 LEU QD2 3.37 (#peak 373 #SUP 0.98 #QF 0.96)
&rst
ixpk= 373, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 432, 433, 434,
&end
#
# 106 LEU HB2 111 LEU HA 3.78 (#peak 377 #SUP 0.86 #QF 0.86)
&rst
ixpk= 377, nxpk= 0, iat= 423, 485, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 16 LEU HB2 16 LEU QD1 3.21 (#peak 383 #SUP 0.96 #QF 0.96)
&rst
ixpk= 383, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 229, 230, 231,
&end
#
# 16 LEU HB2 16 LEU QD2 3.21 (#peak 386 #SUP 0.91 #QF 0.91)
&rst
ixpk= 386, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 233, 234, 235,
&end
#
# 13 LEU HA 16 LEU HB2 3.63 (#peak 387 #SUP 0.45 #QF 0.45)
&rst
ixpk= 387, nxpk= 0, iat= 165, 224, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 10 ILE HB 104 GLN HA 4.19 (#peak 391 #SUP 1.00 #QF 0.75)
&rst
ixpk= 391, nxpk= 0, iat= 127, 387, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 112 VAL HA 112 VAL QG2 3.28 (#peak 397 #SUP 1.00)
&rst
ixpk= 397, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 512, 513, 514,
&end
#
# 106 LEU HA 106 LEU QD1 4.22 (#peak 407 #SUP 1.00 #QF 0.29)
&rst
ixpk= 407, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 428, 429, 430,
&end
#
# 104 GLN HA 105 HIS H 3.08 (#peak 408 #SUP 1.00)
&rst
ixpk= 408, nxpk= 0, iat= 387, 402, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 105 HIS H 105 HIS HB2 3.97 (#peak 409 #SUP 1.00)
&rst
ixpk= 409, nxpk= 0, iat= 402, 406, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 105 HIS H 105 HIS HB3 3.97 (#peak 410 #SUP 0.99 #QF 0.99)
&rst
ixpk= 410, nxpk= 0, iat= 402, 407, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 104 GLN HB2 105 HIS H 4.34 (#peak 412 #SUP 0.89 #QF 0.89)
&rst
ixpk= 412, nxpk= 0, iat= 389, 402, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 104 GLN HG2 105 HIS H 5.50 (#peak 419 #SUP 0.99 #QF 0.91)
&rst
ixpk= 419, nxpk= 0, iat= 392, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 GLN HG3 105 HIS H 5.50 (#peak 419 #SUP 0.99 #QF 0.91)
&rst
ixpk= 419, nxpk= 0, iat= 393, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 GLN HB3 105 HIS H 4.34 (#peak 421 #SUP 0.93 #QF 0.93)
&rst
ixpk= 421, nxpk= 0, iat= 390, 402, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 105 HIS H 106 LEU QD1 5.50 (#peak 422 #SUP 0.82 #QF 0.82)
&rst
ixpk= 422, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 428, 429, 430,
&end
#
# 10 ILE QG2 105 HIS H 5.01 (#peak 423 #SUP 1.00)
&rst
ixpk= 423, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 129, 130, 131,
&end
#
# 105 HIS H 105 HIS HD2 3.83 (#peak 426 #SUP 0.27 #QF 0.27)
&rst
ixpk= 426, nxpk= 0, iat= 402, 415, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 104 GLN H 105 HIS H 4.46 (#peak 428 #SUP 1.00)
&rst
ixpk= 428, nxpk= 0, iat= 385, 402, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 13 LEU H 16 LEU HB2 5.50 (#peak 440 #SUP 0.37 #QF 0.37)
&rst
ixpk= 440, nxpk= 0, iat= 163, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ILE QG2 105 HIS HE1 5.01 (#peak 446 #SUP 0.23 #QF 0.23)
&rst
ixpk= 446, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 129, 130, 131,
&end
#
# 104 GLN HA 105 HIS HD2 5.50 (#peak 453 #SUP 0.95 #QF 0.32)
&rst
ixpk= 453, nxpk= 0, iat= 387, 415, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 HIS HA 105 HIS HD2 5.50 (#peak 453 #SUP 0.95 #QF 0.32)
&rst
ixpk= 453, nxpk= 0, iat= 404, 415, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 SER H 10 ILE QG2 5.50 (#peak 461 #SUP 0.92 #QF 0.73)
&rst
ixpk= 461, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 129, 130, 131,
&end
#
# 10 ILE QG2 105 HIS HD2 5.50 (#peak 461 #SUP 0.92 #QF 0.73)
&rst
ixpk= 461, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 129, 130, 131,
&end
#
# 103 LYS HA 104 GLN H 2.85 (#peak 466 #SUP 0.99 #QF 0.99)
&rst
ixpk= 466, nxpk= 0, iat= 365, 385, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 104 GLN H 104 GLN HG2 5.39 (#peak 468 #SUP 0.94 #QF 0.49)
&rst
ixpk= 468, nxpk= 0, iat= 385, 392, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 104 GLN H 104 GLN HG3 5.39 (#peak 468 #SUP 0.94 #QF 0.49)
&rst
ixpk= 468, nxpk= 0, iat= 385, 393, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 10 ILE QD1 104 GLN H 5.50 (#peak 472 #SUP 0.93 #QF 0.75)
&rst
ixpk= 472, nxpk= 0, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 136, 137, 138,
&end
#
# 10 ILE QG2 104 GLN H 4.52 (#peak 480 #SUP 1.00)
&rst
ixpk= 480, nxpk= 0, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 129, 130, 131,
&end
#
# 104 GLN HE21 106 LEU QD2 5.50 (#peak 489 #SUP 0.50 #QF 0.50)
&rst
ixpk= 489, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 432, 433, 434,
&end
#
# 104 GLN HE21 106 LEU QD1 5.50 (#peak 492 #SUP 0.44 #QF 0.23)
&rst
ixpk= 492, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 428, 429, 430,
&end
#
# 104 GLN HE22 106 LEU QD1 5.50 (#peak 503 #SUP 0.77 #QF 0.61)
&rst
ixpk= 503, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 428, 429, 430,
&end
#
# 104 GLN HE22 106 LEU QD2 5.50 (#peak 504 #SUP 0.57 #QF 0.57)
&rst
ixpk= 504, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 432, 433, 434,
&end
#
# 102 VAL HA 103 LYS H 2.99 (#peak 506 #SUP 0.98 #QF 0.98)
&rst
ixpk= 506, nxpk= 0, iat= 349, 363, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 102 VAL HB 103 LYS H 4.29 (#peak 507 #SUP 0.99 #QF 0.99)
&rst
ixpk= 507, nxpk= 0, iat= 351, 363, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 103 LYS H 103 LYS HG2 4.07 (#peak 509 #SUP 0.93 #QF 0.93)
&rst
ixpk= 509, nxpk= 0, iat= 363, 370, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 103 LYS H 103 LYS HG3 4.07 (#peak 517 #SUP 0.87 #QF 0.87)
&rst
ixpk= 517, nxpk= 0, iat= 363, 371, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 102 VAL QG1 103 LYS H 4.40 (#peak 518 #SUP 1.00 #QF 0.97)
&rst
ixpk= 518, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 353, 354, 355,
&end
#
# 102 VAL QG2 103 LYS H 4.40 (#peak 518 #SUP 1.00 #QF 0.97)
&rst
ixpk= 518, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 357, 358, 359,
&end
#
# 101 PHE QD 103 LYS H 5.50 (#peak 520 #SUP 0.40 #QF 0.40)
&rst
ixpk= 520, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 335, 343,
&end
#
# 10 ILE QG2 103 LYS HA 5.46 (#peak 524 #SUP 0.85 #QF 0.85)
&rst
ixpk= 524, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 129, 130, 131,
&end
#
# 10 ILE QD1 103 LYS HA 5.50 (#peak 525 #SUP 0.93 #QF 0.74)
&rst
ixpk= 525, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 136, 137, 138,
&end
#
# 101 PHE HA 102 VAL H 3.08 (#peak 534 #SUP 0.99 #QF 0.99)
&rst
ixpk= 534, nxpk= 0, iat= 329, 347, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 102 VAL H 102 VAL HB 3.80 (#peak 537 #SUP 0.80 #QF 0.80)
&rst
ixpk= 537, nxpk= 0, iat= 347, 351, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 101 PHE HA 102 VAL QG1 5.35 (#peak 547 #SUP 0.96 #QF 0.62)
&rst
ixpk= 547, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 353, 354, 355,
&end
#
# 101 PHE HA 102 VAL QG2 5.35 (#peak 547 #SUP 0.96 #QF 0.62)
&rst
ixpk= 547, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 357, 358, 359,
&end
#
# 122 ARG HB2 122 ARG QD 3.82 (#peak 553 #SUP 1.00)
&rst
ixpk= 553, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 660, 661,
&end
#
# 101 PHE HA 101 PHE QD 4.02 (#peak 558 #SUP 0.98 #QF 0.98)
&rst
ixpk= 558, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 335, 343,
&end
#
# 13 LEU QD2 101 PHE HZ 5.30 (#peak 569 #SUP 0.26 #QF 0.26)
&rst
ixpk= 569, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 176, 177, 178,
&end
#
# 13 LEU QD1 101 PHE HZ 5.30 (#peak 570 #SUP 0.20 #QF 0.20)
&rst
ixpk= 570, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 172, 173, 174,
&end
#
# 106 LEU HA 107 CYSS H 2.99 (#peak 575 #SUP 0.99 #QF 0.99)
&rst
ixpk= 575, nxpk= 0, iat= 421, 438, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 107 CYSS H 110 HIS HB2 3.86 (#peak 576 #SUP 0.96 #QF 0.96)
&rst
ixpk= 576, nxpk= 0, iat= 438, 470, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 107 CYSS H 107 CYSS HB2 3.70 (#peak 577 #SUP 0.98 #QF 0.98)
&rst
ixpk= 577, nxpk= 0, iat= 438, 442, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 106 LEU HB3 107 CYSS H 3.80 (#peak 579 #SUP 0.87 #QF 0.87)
&rst
ixpk= 579, nxpk= 0, iat= 424, 438, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 107 CYSS H 107 CYSS HB3 3.70 (#peak 584 #SUP 1.00)
&rst
ixpk= 584, nxpk= 0, iat= 438, 443, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 107 CYSS H 111 LEU H 4.96 (#peak 587 #SUP 1.00)
&rst
ixpk= 587, nxpk= 0, iat= 438, 483, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 5 GLN H 5 GLN HE21 5.50 (#peak 589 #SUP 0.77 #QF 0.37)
&rst
ixpk= 589, nxpk= 0, iat= 61, 73, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 CYSS H 110 HIS HD2 4.65 (#peak 590 #SUP 0.26 #QF 0.26)
&rst
ixpk= 590, nxpk= 0, iat= 438, 479, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 106 LEU H 107 CYSS H 4.57 (#peak 591 #SUP 0.97 #QF 0.96)
&rst
ixpk= 591, nxpk= 0, iat= 419, 438, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 107 CYSS H 108 GLY H 4.96 (#peak 591 #SUP 0.97 #QF 0.96)
&rst
ixpk= 591, nxpk= 0, iat= 438, 448, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 107 CYSS HA 108 GLY HA2 4.65 (#peak 594 #SUP 0.76 #QF 0.76)
&rst
ixpk= 594, nxpk= 0, iat= 440, 450, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 107 CYSS HA 108 GLY HA3 4.65 (#peak 595 #SUP 0.96 #QF 0.96)
&rst
ixpk= 595, nxpk= 0, iat= 440, 451, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 107 CYSS HA 111 LEU HB2 5.48 (#peak 600 #SUP 0.90 #QF 0.90)
&rst
ixpk= 600, nxpk= 0, iat= 440, 487, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 107 CYSS HA 111 LEU HB3 5.48 (#peak 604 #SUP 0.92 #QF 0.92)
&rst
ixpk= 604, nxpk= 0, iat= 440, 488, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 107 CYSS HA 111 LEU HG 5.50 (#peak 607 #SUP 0.67 #QF 0.67)
&rst
ixpk= 607, nxpk= 0, iat= 440, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 CYSS HB3 120 GLY QA 5.22 (#peak 618 #SUP 0.93 #QF 0.86)
&rst
ixpk= 618, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 630, 631,
&end
#
# 107 CYSS HA 108 GLY H 3.22 (#peak 626 #SUP 0.96 #QF 0.96)
&rst
ixpk= 626, nxpk= 0, iat= 440, 448, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 108 GLY H 111 LEU QD1 5.09 (#peak 644 #SUP 0.39 #QF 0.39)
&rst
ixpk= 644, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 492, 493, 494,
&end
#
# 108 GLY H 111 LEU H 5.10 (#peak 646 #SUP 1.00 #QF 0.95)
&rst
ixpk= 646, nxpk= 0, iat= 448, 483, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 109 SER H 111 LEU H 5.50 (#peak 646 #SUP 1.00 #QF 0.95)
&rst
ixpk= 646, nxpk= 0, iat= 455, 483, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 SER H 112 VAL H 5.41 (#peak 647 #SUP 0.98 #QF 0.98)
&rst
ixpk= 647, nxpk= 0, iat= 455, 502, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 109 SER H 110 HIS HD2 4.86 (#peak 648 #SUP 0.39 #QF 0.39)
&rst
ixpk= 648, nxpk= 0, iat= 455, 479, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 109 SER H 109 SER QB 3.26 (#peak 650 #SUP 1.00)
&rst
ixpk= 650, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 459, 460,
&end
#
# 109 SER H 110 HIS H 3.68 (#peak 652 #SUP 1.00)
&rst
ixpk= 652, nxpk= 0, iat= 455, 466, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 109 SER HA 109 SER QB 2.78 (#peak 653 #SUP 1.00)
&rst
ixpk= 653, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 459, 460,
&end
#
# 112 VAL HA 113 GLU HA 4.89 (#peak 656 #SUP 0.98 #QF 0.98)
&rst
ixpk= 656, nxpk= 0, iat= 504, 520, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 13 LEU HA 16 LEU HB3 4.63 (#peak 661 #SUP 0.58 #QF 0.44)
&rst
ixpk= 661, nxpk= 0, iat= 165, 225, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 117 LEU HG 118 VAL HA 5.00 (#peak 661 #SUP 0.58 #QF 0.44)
&rst
ixpk= 661, nxpk= 0, iat= 590, 604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 LEU HA 13 LEU QD2 4.21 (#peak 664 #SUP 0.59 #QF 0.37)
&rst
ixpk= 664, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 176, 177, 178,
&end
#
# 13 LEU HA 13 LEU QD1 4.21 (#peak 665 #SUP 0.46 #QF 0.46)
&rst
ixpk= 665, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 172, 173, 174,
&end
#
# 12 SER HA 13 LEU HA 4.41 (#peak 667 #SUP 0.44 #QF 0.44)
&rst
ixpk= 667, nxpk= 0, iat= 154, 165, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 110 HIS H 110 HIS HB2 3.29 (#peak 669 #SUP 0.96 #QF 0.96)
&rst
ixpk= 669, nxpk= 0, iat= 466, 470, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 110 HIS H 110 HIS HB3 3.65 (#peak 672 #SUP 0.99 #QF 0.99)
&rst
ixpk= 672, nxpk= 0, iat= 466, 471, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 110 HIS H 111 LEU H 3.27 (#peak 673 #SUP 1.00)
&rst
ixpk= 673, nxpk= 0, iat= 466, 483, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 110 HIS H 110 HIS HD2 3.72 (#peak 675 #SUP 0.44 #QF 0.44)
&rst
ixpk= 675, nxpk= 0, iat= 466, 479, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 106 LEU HA 110 HIS HB2 3.85 (#peak 677 #SUP 1.00 #QF 0.53)
&rst
ixpk= 677, nxpk= 0, iat= 421, 470, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 106 LEU HA 110 HIS HB3 3.68 (#peak 678 #SUP 0.95 #QF 0.64)
&rst
ixpk= 678, nxpk= 0, iat= 421, 471, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 106 LEU QD2 110 HIS HB2 5.50 (#peak 683 #SUP 0.88 #QF 0.88)
&rst
ixpk= 683, nxpk= 0, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 432, 433, 434,
&end
#
# 110 HIS HA 110 HIS HD2 4.70 (#peak 685 #SUP 0.92 #QF 0.33)
&rst
ixpk= 685, nxpk= 0, iat= 468, 479, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 109 SER QB 110 HIS HD2 3.86 (#peak 689 #SUP 0.27 #QF 0.27)
&rst
ixpk= 689, nxpk= 0, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 459, 460,
&end
#
# 110 HIS HB2 110 HIS HD2 3.93 (#peak 690 #SUP 0.99 #QF 0.99)
&rst
ixpk= 690, nxpk= 0, iat= 470, 479, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 5 GLN HB2 5 GLN HE21 4.65 (#peak 693 #SUP 0.95 #QF 0.95)
&rst
ixpk= 693, nxpk= 0, iat= 65, 73, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 110 HIS HA 110 HIS HE1 5.50 (#peak 700 #SUP 0.44 #QF 0.44)
&rst
ixpk= 700, nxpk= 0, iat= 468, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 LEU QD1 119 CYSS H 5.50 (#peak 702 #SUP 0.25 #QF 0.25) #2.0
&rst
ixpk= 702, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 8.61, r4= 9.11,
igr1= 552, 553, 554,
&end
#
# 12 SER H 16 LEU H 5.26 (#peak 704 #SUP 0.95 #QF 0.69)
&rst
ixpk= 704, nxpk= 0, iat= 152, 220, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 117 LEU H 119 CYSS H 5.42 (#peak 704 #SUP 0.95 #QF 0.69)
&rst
ixpk= 704, nxpk= 0, iat= 583, 618, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 110 HIS HA 114 ALA H 4.71 (#peak 706 #SUP 0.96 #QF 0.96)
&rst
ixpk= 706, nxpk= 0, iat= 468, 533, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 111 LEU HA 114 ALA H 4.17 (#peak 708 #SUP 0.98 #QF 0.98)
&rst
ixpk= 708, nxpk= 0, iat= 485, 533, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 114 ALA H 116 TYR QB 5.21 (#peak 710 #SUP 1.00)
&rst
ixpk= 710, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 566, 567,
&end
#
# 113 GLU HB3 114 ALA H 4.09 (#peak 713 #SUP 0.95 #QF 0.95)
&rst
ixpk= 713, nxpk= 0, iat= 523, 533, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 106 LEU QD1 114 ALA H 5.45 (#peak 716 #SUP 0.90 #QF 0.90) #1.0
&rst
ixpk= 716, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 428, 429, 430,
&end
#
# 106 LEU QD2 114 ALA H 5.45 (#peak 717 #SUP 0.93 #QF 0.87)
&rst
ixpk= 717, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 432, 433, 434,
&end
#
# 112 VAL HA 114 ALA H 5.09 (#peak 720 #SUP 1.00)
&rst
ixpk= 720, nxpk= 0, iat= 504, 533, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 113 GLU HB2 114 ALA H 4.09 (#peak 723 #SUP 0.94 #QF 0.94)
&rst
ixpk= 723, nxpk= 0, iat= 522, 533, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 114 ALA H 114 ALA QB 3.19 (#peak 726 #SUP 1.00)
&rst
ixpk= 726, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 537, 538, 539,
&end
#
# 106 LEU HB3 114 ALA H 5.34 (#peak 728 #SUP 0.99 #QF 0.76)
&rst
ixpk= 728, nxpk= 0, iat= 424, 533, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 111 LEU H 114 ALA H 5.17 (#peak 731 #SUP 1.00)
&rst
ixpk= 731, nxpk= 0, iat= 483, 533, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 112 VAL H 114 ALA H 4.77 (#peak 734 #SUP 1.00)
&rst
ixpk= 734, nxpk= 0, iat= 502, 533, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 113 GLU H 114 ALA H 3.56 (#peak 735 #SUP 1.00)
&rst
ixpk= 735, nxpk= 0, iat= 518, 533, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 114 ALA H 115 LEU H 3.55 (#peak 738 #SUP 1.00)
&rst
ixpk= 738, nxpk= 0, iat= 533, 543, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 114 ALA H 116 TYR H 4.64 (#peak 739 #SUP 1.00)
&rst
ixpk= 739, nxpk= 0, iat= 533, 562, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 17 GLU HA 17 GLU HG2 4.11 (#peak 741 #SUP 1.00 #QF 0.37)
&rst
ixpk= 741, nxpk= 0, iat= 241, 246, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 106 LEU QD1 114 ALA QB 3.52 (#peak 746 #SUP 0.94 #QF 0.90) #1.0
&rst
ixpk= 746, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 428, 429, 430,
igr2= 537, 538, 539,
&end
#
# 106 LEU QD2 114 ALA QB 3.52 (#peak 747 #SUP 0.91 #QF 0.91)
&rst
ixpk= 747, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 432, 433, 434,
igr2= 537, 538, 539,
&end
#
# 111 LEU HA 114 ALA QB 3.33 (#peak 753 #SUP 0.97 #QF 0.97)
&rst
ixpk= 753, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 537, 538, 539,
&end
#
# 114 ALA QB 115 LEU HA 4.55 (#peak 756 #SUP 0.99 #QF 0.21)
&rst
ixpk= 756, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 537, 538, 539,
&end
#
# 112 VAL H 112 VAL HB 3.27 (#peak 759 #SUP 1.00)
&rst
ixpk= 759, nxpk= 0, iat= 502, 506, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 112 VAL H 114 ALA QB 5.50 (#peak 760 #SUP 0.99 #QF 0.25)
&rst
ixpk= 760, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 537, 538, 539,
&end
#
# 2 ILE HB 19 TYR QD 5.34 (#peak 761 #SUP 0.91 #QF 0.64)
&rst
ixpk= 761, nxpk= 0, iat= 15, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 276, 285,
&end
#
# 111 LEU HG 112 VAL H 5.50 (#peak 761 #SUP 0.91 #QF 0.64)
&rst
ixpk= 761, nxpk= 0, iat= 490, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 VAL H 112 VAL QG1 3.77 (#peak 770 #SUP 0.99 #QF 0.99)
&rst
ixpk= 770, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 508, 509, 510,
&end
#
# 112 VAL H 112 VAL QG2 3.77 (#peak 771 #SUP 1.00)
&rst
ixpk= 771, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 512, 513, 514,
&end
#
# 101 PHE QD 102 VAL QG1 5.50 (#peak 772 #SUP 0.99 #QF 0.33)
&rst
ixpk= 772, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 335, 343,
igr2= 353, 354, 355,
&end
#
# 101 PHE QD 102 VAL QG2 5.50 (#peak 772 #SUP 0.99 #QF 0.33)
&rst
ixpk= 772, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 335, 343,
igr2= 357, 358, 359,
&end
#
# 13 LEU QD1 101 PHE QD 4.28 (#peak 773 #SUP 0.98 #QF 0.40)
&rst
ixpk= 773, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 172, 173, 174,
igr2= 335, 343,
&end
#
# 111 LEU H 112 VAL H 3.53 (#peak 775 #SUP 1.00)
&rst
ixpk= 775, nxpk= 0, iat= 483, 502, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 112 VAL H 113 GLU H 3.58 (#peak 777 #SUP 1.00)
&rst
ixpk= 777, nxpk= 0, iat= 502, 518, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 101 PHE QD 102 VAL H 4.32 (#peak 779 #SUP 0.57 #QF 0.57)
&rst
ixpk= 779, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 335, 343,
&end
#
# 112 VAL HA 115 LEU HB2 4.77 (#peak 780 #SUP 0.93 #QF 0.93)
&rst
ixpk= 780, nxpk= 0, iat= 504, 547, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 111 LEU HG 112 VAL HA 5.50 (#peak 783 #SUP 0.78 #QF 0.78) #1.0
&rst
ixpk= 783, nxpk= 0, iat= 490, 504, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 112 VAL HA 115 LEU HB3 4.77 (#peak 784 #SUP 0.98 #QF 0.98)
&rst
ixpk= 784, nxpk= 0, iat= 504, 548, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 112 VAL HA 112 VAL QG1 3.28 (#peak 787 #SUP 0.99 #QF 0.99)
&rst
ixpk= 787, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 508, 509, 510,
&end
#
# 112 VAL HA 115 LEU QD2 4.06 (#peak 789 #SUP 0.86 #QF 0.86)
&rst
ixpk= 789, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 556, 557, 558,
&end
#
# 110 HIS HB2 111 LEU H 4.09 (#peak 794 #SUP 0.96 #QF 0.96)
&rst
ixpk= 794, nxpk= 0, iat= 470, 483, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 110 HIS HB3 111 LEU H 3.98 (#peak 795 #SUP 0.93 #QF 0.93)
&rst
ixpk= 795, nxpk= 0, iat= 471, 483, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 111 LEU H 111 LEU QD1 5.13 (#peak 800 #SUP 0.97 #QF 0.97)
&rst
ixpk= 800, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 492, 493, 494,
&end
#
# 111 LEU H 111 LEU HB2 3.65 (#peak 806 #SUP 1.00)
&rst
ixpk= 806, nxpk= 0, iat= 483, 487, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 111 LEU H 111 LEU HB3 3.65 (#peak 807 #SUP 0.98 #QF 0.98)
&rst
ixpk= 807, nxpk= 0, iat= 483, 488, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 111 LEU H 111 LEU HG 4.61 (#peak 808 #SUP 0.93 #QF 0.93)
&rst
ixpk= 808, nxpk= 0, iat= 483, 490, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 106 LEU HB3 111 LEU H 4.20 (#peak 810 #SUP 0.92 #QF 0.92)
&rst
ixpk= 810, nxpk= 0, iat= 424, 483, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 111 LEU H 111 LEU QD2 5.13 (#peak 812 #SUP 0.98 #QF 0.42)
&rst
ixpk= 812, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 496, 497, 498,
&end
#
# 106 LEU HG 111 LEU HA 3.20 (#peak 816 #SUP 0.49 #QF 0.49) #1.0
&rst
ixpk= 816, nxpk= 0, iat= 426, 485, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 16 LEU HB3 16 LEU QD2 3.35 (#peak 822 #SUP 1.00 #QF 0.37)
&rst
ixpk= 822, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 233, 234, 235,
&end
#
# 16 LEU HB3 16 LEU QD1 3.35 (#peak 823 #SUP 0.94 #QF 0.79)
&rst
ixpk= 823, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 229, 230, 231,
&end
#
# 111 LEU HB2 111 LEU QD1 3.36 (#peak 823 #SUP 0.94 #QF 0.79)
&rst
ixpk= 823, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 492, 493, 494,
&end
#
# 111 LEU HB2 111 LEU QD2 3.36 (#peak 824 #SUP 0.98 #QF 0.98)
&rst
ixpk= 824, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 496, 497, 498,
&end
#
# 111 LEU HA 111 LEU HG 3.84 (#peak 828 #SUP 0.83 #QF 0.83)
&rst
ixpk= 828, nxpk= 0, iat= 485, 490, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 111 LEU HB3 111 LEU QD1 3.36 (#peak 829 #SUP 0.98 #QF 0.98)
&rst
ixpk= 829, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 492, 493, 494,
&end
#
# 2 ILE QG2 2 ILE HG12 3.24 (#peak 834 #SUP 0.96 #QF 0.50)
&rst
ixpk= 834, nxpk= 0, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 17, 18, 19,
&end
#
# 111 LEU HB3 111 LEU QD2 3.36 (#peak 834 #SUP 0.96 #QF 0.50)
&rst
ixpk= 834, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 496, 497, 498,
&end
#
# 111 LEU HA 111 LEU QD2 4.01 (#peak 837 #SUP 0.36 #QF 0.36)
&rst
ixpk= 837, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 496, 497, 498,
&end
#
# 111 LEU HA 111 LEU QD1 4.01 (#peak 838 #SUP 0.97 #QF 0.97)
&rst
ixpk= 838, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 492, 493, 494,
&end
#
# 113 GLU H 113 GLU HB2 3.34 (#peak 843 #SUP 0.98 #QF 0.98)
&rst
ixpk= 843, nxpk= 0, iat= 518, 522, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 112 VAL HB 113 GLU H 3.13 (#peak 844 #SUP 0.98 #QF 0.93)
&rst
ixpk= 844, nxpk= 0, iat= 506, 518, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 113 GLU H 113 GLU HB3 3.34 (#peak 844 #SUP 0.98 #QF 0.93)
&rst
ixpk= 844, nxpk= 0, iat= 518, 523, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 113 GLU H 114 ALA QB 4.33 (#peak 845 #SUP 1.00)
&rst
ixpk= 845, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 537, 538, 539,
&end
#
# 2 ILE HB 3 VAL H 4.79 (#peak 846 #SUP 0.96 #QF 0.93)
&rst
ixpk= 846, nxpk= 0, iat= 15, 30, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 112 VAL HA 115 LEU H 4.11 (#peak 867 #SUP 1.00)
&rst
ixpk= 867, nxpk= 0, iat= 504, 543, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 115 LEU H 116 TYR QB 4.51 (#peak 868 #SUP 1.00)
&rst
ixpk= 868, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 566, 567,
&end
#
# 10 ILE HB 104 GLN H 3.53 (#peak 869 #SUP 0.91 #QF 0.85)
&rst
ixpk= 869, nxpk= 0, iat= 127, 385, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 115 LEU H 115 LEU HB2 3.76 (#peak 869 #SUP 0.91 #QF 0.85)
&rst
ixpk= 869, nxpk= 0, iat= 543, 547, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 114 ALA QB 115 LEU H 3.40 (#peak 870 #SUP 1.00)
&rst
ixpk= 870, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 537, 538, 539,
&end
#
# 115 LEU H 115 LEU HB3 3.76 (#peak 871 #SUP 1.00)
&rst
ixpk= 871, nxpk= 0, iat= 543, 548, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 115 LEU H 115 LEU QD1 4.27 (#peak 882 #SUP 0.98 #QF 0.98)
&rst
ixpk= 882, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 552, 553, 554,
&end
#
# 115 LEU H 115 LEU QD2 4.27 (#peak 883 #SUP 0.92 #QF 0.92)
&rst
ixpk= 883, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 556, 557, 558,
&end
#
# 115 LEU H 124 PHE QE 5.18 (#peak 885 #SUP 0.26 #QF 0.26) #1.0
&rst
ixpk= 885, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 691, 695,
&end
#
# 115 LEU H 116 TYR H 2.83 (#peak 887 #SUP 1.00)
&rst
ixpk= 887, nxpk= 0, iat= 543, 562, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 2 ILE HA 5 GLN HB2 3.74 (#peak 888 #SUP 0.97 #QF 0.30)
&rst
ixpk= 888, nxpk= 0, iat= 13, 65, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 115 LEU HA 118 VAL HB 3.78 (#peak 888 #SUP 0.97 #QF 0.30)
&rst
ixpk= 888, nxpk= 0, iat= 545, 606, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 115 LEU HA 118 VAL QG1 4.19 (#peak 892 #SUP 0.96 #QF 0.96)
&rst
ixpk= 892, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 608, 609, 610,
&end
#
# 115 LEU HA 115 LEU QD1 4.00 (#peak 894 #SUP 0.84 #QF 0.84)
&rst
ixpk= 894, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 552, 553, 554,
&end
#
# 2 ILE HA 2 ILE QD1 3.87 (#peak 898 #SUP 0.60 #QF 0.60)
&rst
ixpk= 898, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 24, 25, 26,
&end
#
# 115 LEU HA 115 LEU QD2 4.00 (#peak 899 #SUP 0.94 #QF 0.94)
&rst
ixpk= 899, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 556, 557, 558,
&end
#
# 19 TYR HB3 115 LEU QD1 5.63 (#peak 909 #SUP 0.56 #QF 0.36)
&rst
ixpk= 909, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2= 552, 553, 554,
&end
#
# 19 TYR HB3 115 LEU QD2 5.63 (#peak 912 #SUP 0.48 #QF 0.29)
&rst
ixpk= 912, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2= 556, 557, 558,
&end
#
# 19 TYR HB2 115 LEU QD2 5.63 (#peak 913 #SUP 0.32 #QF 0.32)
&rst
ixpk= 913, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2= 556, 557, 558,
&end
#
# 16 LEU HA 115 LEU QD1 4.84 (#peak 915 #SUP 0.34 #QF 0.34) #2.0
&rst
ixpk= 915, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 552, 553, 554,
&end
#
# 20 CYSS HA 115 LEU QD2 5.50 (#peak 917 #SUP 0.38 #QF 0.21)
&rst
ixpk= 917, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 556, 557, 558,
&end
#
# 115 LEU QD2 124 PHE HA 5.50 (#peak 917 #SUP 0.38 #QF 0.21)
&rst
ixpk= 917, nxpk= 0, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 556, 557, 558,
&end
#
# 20 CYSS HA 115 LEU QD1 5.50 (#peak 918 #SUP 0.52 #QF 0.36) #1.0
&rst
ixpk= 918, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr2= 552, 553, 554,
&end
#
# 115 LEU QD1 124 PHE HA 5.50 (#peak 918 #SUP 0.52 #QF 0.36) #1.0
&rst
ixpk= 918, nxpk= 0, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 552, 553, 554,
&end
#
# 2 ILE HA 6 CYSS H 4.37 (#peak 921 #SUP 1.00 #QF 0.34)
&rst
ixpk= 921, nxpk= 0, iat= 13, 78, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 112 VAL HA 116 TYR H 4.67 (#peak 922 #SUP 1.00)
&rst
ixpk= 922, nxpk= 0, iat= 504, 562, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 116 TYR H 116 TYR QB 3.05 (#peak 923 #SUP 1.00)
&rst
ixpk= 923, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 566, 567,
&end
#
# 115 LEU HB2 116 TYR H 4.12 (#peak 925 #SUP 0.92 #QF 0.92)
&rst
ixpk= 925, nxpk= 0, iat= 547, 562, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 115 LEU HB3 116 TYR H 4.12 (#peak 926 #SUP 0.98 #QF 0.98)
&rst
ixpk= 926, nxpk= 0, iat= 548, 562, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 115 LEU QD2 116 TYR H 5.30 (#peak 937 #SUP 1.00)
&rst
ixpk= 937, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 556, 557, 558,
&end
#
# 116 TYR H 116 TYR QD 4.25 (#peak 940 #SUP 1.00)
&rst
ixpk= 940, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 570, 579,
&end
#
# 116 TYR H 124 PHE QE 5.00 (#peak 941 #SUP 0.52 #QF 0.52)
&rst
ixpk= 941, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 691, 695,
&end
#
# 116 TYR H 117 LEU H 3.56 (#peak 942 #SUP 1.00)
&rst
ixpk= 942, nxpk= 0, iat= 562, 583, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 116 TYR H 118 VAL H 4.32 (#peak 945 #SUP 1.00)
&rst
ixpk= 945, nxpk= 0, iat= 562, 602, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 116 TYR H 119 CYSS H 5.09 (#peak 946 #SUP 0.99 #QF 0.99)
&rst
ixpk= 946, nxpk= 0, iat= 562, 618, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 122 ARG HA 122 ARG QD 4.25 (#peak 950 #SUP 0.97 #QF 0.97)
&rst
ixpk= 950, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 660, 661,
&end
#
# 122 ARG HA 122 ARG QG 3.41 (#peak 953 #SUP 0.94 #QF 0.94)
&rst
ixpk= 953, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 657, 658,
&end
#
# 116 TYR QB 117 LEU HB2 4.31 (#peak 958 #SUP 0.49 #QF 0.49)
&rst
ixpk= 958, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 566, 567,
&end
#
# 112 VAL HB 116 TYR QB 5.50 (#peak 959 #SUP 0.93 #QF 0.23)
&rst
ixpk= 959, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 566, 567,
&end
#
# 113 GLU HB3 116 TYR QB 5.50 (#peak 959 #SUP 0.93 #QF 0.23)
&rst
ixpk= 959, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 566, 567,
&end
#
# 113 GLU HA 116 TYR QB 3.29 (#peak 962 #SUP 0.97 #QF 0.97)
&rst
ixpk= 962, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 566, 567,
&end
#
# 116 TYR HA 116 TYR QD 3.47 (#peak 963 #SUP 1.00)
&rst
ixpk= 963, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 570, 579,
&end
#
# 113 GLU HA 116 TYR QD 4.64 (#peak 966 #SUP 0.93 #QF 0.84)
&rst
ixpk= 966, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 570, 579,
&end
#
# 116 TYR QD 117 LEU HA 5.06 (#peak 966 #SUP 0.93 #QF 0.84)
&rst
ixpk= 966, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 570, 579,
&end
#
# 116 TYR QD 120 GLY QA 5.18 (#peak 967 #SUP 0.87 #QF 0.87)
&rst
ixpk= 967, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 570, 579,
igr2= 630, 631,
&end
#
# 116 TYR QD 117 LEU H 4.69 (#peak 981 #SUP 0.99 #QF 0.99)
&rst
ixpk= 981, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 570, 579,
&end
#
# 116 TYR HA 116 TYR QE 5.21 (#peak 986 #SUP 0.95 #QF 0.90)
&rst
ixpk= 986, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 572, 577,
&end
#
# 116 TYR QE 121 GLU HA 5.50 (#peak 986 #SUP 0.95 #QF 0.90)
&rst
ixpk= 986, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 572, 577,
&end
#
# 16 LEU HA 19 TYR QE 3.85 (#peak 987 #SUP 0.32 #QF 0.32)
&rst
ixpk= 987, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 278, 283,
&end
#
# 19 TYR QE 115 LEU HA 3.66 (#peak 988 #SUP 0.28 #QF 0.28) #1.0
&rst
ixpk= 988, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 278, 283,
&end
#
# 116 TYR QE 120 GLY QA 5.50 (#peak 991 #SUP 0.68 #QF 0.68)
&rst
ixpk= 991, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 572, 577,
igr2= 630, 631,
&end
#
# 126 TYR QE 128 PRO QD 5.50 (#peak 993 #SUP 0.65 #QF 0.65)
&rst
ixpk= 993, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 731, 736,
igr2= 757, 758,
&end
#
# 16 LEU HB3 19 TYR QE 4.39 (#peak 1012 #SUP 0.34 #QF 0.34)
&rst
ixpk= 1012, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 278, 283,
&end
#
# 2 ILE HB 19 TYR QE 4.32 (#peak 1014 #SUP 0.52 #QF 0.52) #0.5
&rst
ixpk= 1014, nxpk= 0, iat= 15, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 278, 283,
&end
#
# 2 ILE QG2 19 TYR QE 3.79 (#peak 1021 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1021, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 17, 18, 19,
igr2= 278, 283,
&end
#
# 19 TYR QE 115 LEU QD1 4.43 (#peak 1022 #SUP 0.39 #QF 0.39) #1.0
&rst
ixpk= 1022, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 278, 283,
igr2= 552, 553, 554,
&end
#
# 2 ILE QD1 19 TYR QE 3.72 (#peak 1023 #SUP 0.56 #QF 0.56)
&rst
ixpk= 1023, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 24, 25, 26,
igr2= 278, 283,
&end
#
# 19 TYR QE 115 LEU QD2 4.43 (#peak 1024 #SUP 0.49 #QF 0.49)
&rst
ixpk= 1024, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 278, 283,
igr2= 556, 557, 558,
&end
#
# 19 TYR H 19 TYR QE 5.50 (#peak 1032 #SUP 0.70 #QF 0.70)
&rst
ixpk= 1032, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 278, 283,
&end
#
# 2 ILE H 19 TYR QE 4.29 (#peak 1035 #SUP 0.41 #QF 0.41)
&rst
ixpk= 1035, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 278, 283,
&end
#
# 117 LEU H 117 LEU HB3 3.76 (#peak 1039 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1039, nxpk= 0, iat= 583, 588, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 117 LEU H 117 LEU QD1 4.95 (#peak 1041 #SUP 0.97 #QF 0.48)
&rst
ixpk= 1041, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 592, 593, 594,
&end
#
# 117 LEU H 117 LEU QD2 4.95 (#peak 1041 #SUP 0.97 #QF 0.48)
&rst
ixpk= 1041, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 596, 597, 598,
&end
#
# 114 ALA HA 117 LEU H 3.90 (#peak 1043 #SUP 1.00 #QF 0.26)
&rst
ixpk= 1043, nxpk= 0, iat= 535, 583, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 116 TYR QB 117 LEU H 3.52 (#peak 1044 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1044, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 566, 567,
&end
#
# 117 LEU H 118 VAL H 3.63 (#peak 1048 #SUP 1.00)
&rst
ixpk= 1048, nxpk= 0, iat= 583, 602, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 117 LEU HB3 117 LEU QD1 3.36 (#peak 1050 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1050, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 592, 593, 594,
&end
#
# 114 ALA HA 117 LEU HB3 3.78 (#peak 1054 #SUP 0.99 #QF 0.57)
&rst
ixpk= 1054, nxpk= 0, iat= 535, 588, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 106 LEU HB3 114 ALA QB 4.26 (#peak 1058 #SUP 0.62 #QF 0.62)
&rst
ixpk= 1058, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 537, 538, 539,
&end
#
# 114 ALA HA 118 VAL H 4.45 (#peak 1062 #SUP 0.99 #QF 0.37)
&rst
ixpk= 1062, nxpk= 0, iat= 535, 602, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 116 TYR QB 118 VAL H 5.03 (#peak 1065 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1065, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 566, 567,
&end
#
# 118 VAL H 118 VAL HB 3.30 (#peak 1067 #SUP 1.00)
&rst
ixpk= 1067, nxpk= 0, iat= 602, 606, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 117 LEU HB2 118 VAL H 4.45 (#peak 1068 #SUP 0.98 #QF 0.97)
&rst
ixpk= 1068, nxpk= 0, iat= 587, 602, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 117 LEU HG 118 VAL H 4.91 (#peak 1068 #SUP 0.98 #QF 0.97)
&rst
ixpk= 1068, nxpk= 0, iat= 590, 602, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 114 ALA QB 118 VAL H 4.62 (#peak 1070 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1070, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 537, 538, 539,
&end
#
# 118 VAL H 118 VAL QG2 3.82 (#peak 1073 #SUP 1.00)
&rst
ixpk= 1073, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 612, 613, 614,
&end
#
# 117 LEU HB3 118 VAL H 3.95 (#peak 1081 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1081, nxpk= 0, iat= 588, 602, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 118 VAL H 118 VAL QG1 3.82 (#peak 1084 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1084, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 608, 609, 610,
&end
#
# 2 ILE H 19 TYR QD 5.50 (#peak 1087 #SUP 0.67 #QF 0.67)
&rst
ixpk= 1087, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 276, 285,
&end
#
# 118 VAL H 119 CYSS H 3.43 (#peak 1088 #SUP 1.00)
&rst
ixpk= 1088, nxpk= 0, iat= 602, 618, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 118 VAL HA 118 VAL QG1 3.18 (#peak 1094 #SUP 1.00)
&rst
ixpk= 1094, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 608, 609, 610,
&end
#
# 118 VAL HA 118 VAL QG2 3.18 (#peak 1095 #SUP 1.00)
&rst
ixpk= 1095, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 612, 613, 614,
&end
#
# 115 LEU HA 118 VAL QG2 4.19 (#peak 1123 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1123, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 612, 613, 614,
&end
#
# 118 VAL QG1 119 CYSS HA 5.50 (#peak 1126 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1126, nxpk= 0, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 608, 609, 610,
&end
#
# 118 VAL QG2 119 CYSS HA 5.50 (#peak 1127 #SUP 0.98 #QF 0.98) #1.0
&rst
ixpk= 1127, nxpk= 0, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 612, 613, 614,
&end
#
# 116 TYR HA 119 CYSS H 4.61 (#peak 1129 #SUP 1.00)
&rst
ixpk= 1129, nxpk= 0, iat= 564, 618, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 117 LEU HA 119 CYSS H 4.88 (#peak 1130 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1130, nxpk= 0, iat= 585, 618, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 115 LEU HA 119 CYSS H 4.37 (#peak 1131 #SUP 0.65 #QF 0.38)
&rst
ixpk= 1131, nxpk= 0, iat= 545, 618, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 118 VAL HB 119 CYSS H 3.52 (#peak 1136 #SUP 1.00)
&rst
ixpk= 1136, nxpk= 0, iat= 606, 618, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 118 VAL QG2 119 CYSS H 4.19 (#peak 1138 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1138, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 612, 613, 614,
&end
#
# 119 CYSS H 120 GLY QA 4.32 (#peak 1142 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1142, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 630, 631,
&end
#
# 119 CYSS H 119 CYSS HB2 3.78 (#peak 1144 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1144, nxpk= 0, iat= 618, 622, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 119 CYSS H 119 CYSS HB3 3.78 (#peak 1145 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1145, nxpk= 0, iat= 618, 623, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 118 VAL QG1 119 CYSS H 4.19 (#peak 1147 #SUP 1.00)
&rst
ixpk= 1147, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 608, 609, 610,
&end
#
# 119 CYSS H 121 GLU H 4.84 (#peak 1149 #SUP 0.31 #QF 0.31)
&rst
ixpk= 1149, nxpk= 0, iat= 618, 635, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 8 THR QG2 9 SER HA 5.50 (#peak 1153 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1153, nxpk= 0, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 104, 105, 106,
&end
#
# 9 SER HA 10 ILE HG13 5.50 (#peak 1154 #SUP 0.77 #QF 0.22)
&rst
ixpk= 1154, nxpk= 0, iat= 114, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 SER HA 10 ILE QD1 5.50 (#peak 1154 #SUP 0.77 #QF 0.22)
&rst
ixpk= 1154, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 136, 137, 138,
&end
#
# 122 ARG HB3 122 ARG QD 3.82 (#peak 1155 #SUP 0.98 #QF 0.52)
&rst
ixpk= 1155, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 660, 661,
&end
#
# 19 TYR H 20 CYSS HA 4.84 (#peak 1159 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1159, nxpk= 0, iat= 268, 291, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 16 LEU HA 19 TYR H 4.15 (#peak 1161 #SUP 0.91 #QF 0.46)
&rst
ixpk= 1161, nxpk= 0, iat= 222, 268, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 17 GLU HA 19 TYR H 4.37 (#peak 1161 #SUP 0.91 #QF 0.46)
&rst
ixpk= 1161, nxpk= 0, iat= 241, 268, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 19 TYR H 19 TYR HB2 3.69 (#peak 1162 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1162, nxpk= 0, iat= 268, 272, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 19 TYR H 19 TYR HB3 3.69 (#peak 1163 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1163, nxpk= 0, iat= 268, 273, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 19 TYR H 115 LEU QD1 5.38 (#peak 1167 #SUP 0.33 #QF 0.33) #1.0
&rst
ixpk= 1167, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr2= 552, 553, 554,
&end
#
# 18 ASN HB2 19 TYR H 4.27 (#peak 1172 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1172, nxpk= 0, iat= 258, 268, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 18 ASN HB3 19 TYR H 4.27 (#peak 1173 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1173, nxpk= 0, iat= 259, 268, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 19 TYR H 19 TYR QD 3.76 (#peak 1176 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1176, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 276, 285,
&end
#
# 18 ASN H 19 TYR H 3.35 (#peak 1177 #SUP 1.00)
&rst
ixpk= 1177, nxpk= 0, iat= 254, 268, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 19 TYR H 20 CYSS H 3.24 (#peak 1180 #SUP 1.00)
&rst
ixpk= 1180, nxpk= 0, iat= 268, 289, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 19 TYR HA 19 TYR QD 3.70 (#peak 1185 #SUP 1.00)
&rst
ixpk= 1185, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 276, 285,
&end
#
# 16 LEU HA 19 TYR QD 3.26 (#peak 1186 #SUP 0.30 #QF 0.30)
&rst
ixpk= 1186, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 276, 285,
&end
#
# 18 ASN HB2 19 TYR QD 5.50 (#peak 1194 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1194, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 276, 285,
&end
#
# 18 ASN HB3 19 TYR QD 5.50 (#peak 1195 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1195, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 276, 285,
&end
#
# 111 LEU HB3 112 VAL H 4.18 (#peak 1198 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1198, nxpk= 0, iat= 488, 502, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 2 ILE QD1 19 TYR QD 4.37 (#peak 1205 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1205, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 24, 25, 26,
igr2= 276, 285,
&end
#
# 2 ILE QG2 19 TYR QD 3.68 (#peak 1207 #SUP 0.96 #QF 0.93)
&rst
ixpk= 1207, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 17, 18, 19,
igr2= 276, 285,
&end
#
# 13 LEU QD2 101 PHE QD 4.28 (#peak 1207 #SUP 0.96 #QF 0.93)
&rst
ixpk= 1207, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 176, 177, 178,
igr2= 335, 343,
&end
#
# 18 ASN H 19 TYR QD 5.35 (#peak 1208 #SUP 0.90 #QF 0.85)
&rst
ixpk= 1208, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 276, 285,
&end
#
# 14 TYR H 101 PHE QD 5.50 (#peak 1208 #SUP 0.90 #QF 0.85)
&rst
ixpk= 1208, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 335, 343,
&end
#
# 19 TYR QD 20 CYSS H 4.94 (#peak 1209 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1209, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 276, 285,
&end
#
# 18 ASN H 18 ASN HB2 3.64 (#peak 1213 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1213, nxpk= 0, iat= 254, 258, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 18 ASN H 18 ASN HB3 3.64 (#peak 1214 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1214, nxpk= 0, iat= 254, 259, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 18 ASN HA 18 ASN HD21 5.50 (#peak 1233 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1233, nxpk= 0, iat= 256, 263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLN HA 18 ASN HD21 5.50 (#peak 1235 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1235, nxpk= 0, iat= 205, 263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 TYR HA 125 PHE H 4.90 (#peak 1246 #SUP 0.23 #QF 0.23)
&rst
ixpk= 1246, nxpk= 0, iat= 270, 701, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 21 ASN H 21 ASN HB2 3.67 (#peak 1248 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1248, nxpk= 0, iat= 299, 303, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 21 ASN H 21 ASN HB3 3.67 (#peak 1249 #SUP 1.00)
&rst
ixpk= 1249, nxpk= 0, iat= 299, 304, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 21 ASN H 21 ASN HD22 5.50 (#peak 1254 #SUP 1.00)
&rst
ixpk= 1254, nxpk= 0, iat= 299, 309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 CYSS H 21 ASN H 4.65 (#peak 1257 #SUP 1.00)
&rst
ixpk= 1257, nxpk= 0, iat= 289, 299, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 21 ASN H 21 ASN HD21 5.50 (#peak 1258 #SUP 0.46 #QF 0.46)
&rst
ixpk= 1258, nxpk= 0, iat= 299, 308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ASN HA 22 SER H 3.38 (#peak 1282 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1282, nxpk= 0, iat= 301, 313, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 21 ASN HB2 22 SER H 4.67 (#peak 1289 #SUP 0.91 #QF 0.24)
&rst
ixpk= 1289, nxpk= 0, iat= 303, 313, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 21 ASN HB3 22 SER H 4.67 (#peak 1297 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1297, nxpk= 0, iat= 304, 313, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 119 CYSS HB2 120 GLY QA 5.22 (#peak 1300 #SUP 0.83 #QF 0.33)
&rst
ixpk= 1300, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 630, 631,
&end
#
# 116 TYR HA 120 GLY QA 4.83 (#peak 1302 #SUP 0.98 #QF 0.46)
&rst
ixpk= 1302, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 630, 631,
&end
#
# 120 GLY QA 121 GLU HA 5.07 (#peak 1302 #SUP 0.98 #QF 0.46)
&rst
ixpk= 1302, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 630, 631,
&end
#
# 18 ASN HA 20 CYSS H 4.27 (#peak 1305 #SUP 0.89 #QF 0.26)
&rst
ixpk= 1305, nxpk= 0, iat= 256, 289, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 17 GLU HA 20 CYSS H 3.91 (#peak 1306 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1306, nxpk= 0, iat= 241, 289, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 20 CYSS H 20 CYSS HB2 3.76 (#peak 1308 #SUP 1.00)
&rst
ixpk= 1308, nxpk= 0, iat= 289, 293, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 19 TYR HB3 20 CYSS H 4.53 (#peak 1309 #SUP 1.00)
&rst
ixpk= 1309, nxpk= 0, iat= 273, 289, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 19 TYR HB2 20 CYSS H 4.53 (#peak 1314 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1314, nxpk= 0, iat= 272, 289, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 20 CYSS H 20 CYSS HB3 3.76 (#peak 1317 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1317, nxpk= 0, iat= 289, 294, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 117 LEU H 117 LEU HB2 2.90 (#peak 1324 #SUP 0.71 #QF 0.71)
&rst
ixpk= 1324, nxpk= 0, iat= 583, 587, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 16 LEU H 16 LEU HB2 3.32 (#peak 1326 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1326, nxpk= 0, iat= 220, 224, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 16 LEU H 16 LEU HG 4.53 (#peak 1334 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1334, nxpk= 0, iat= 220, 227, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 2 ILE QG2 3 VAL H 3.40 (#peak 1336 #SUP 0.61 #QF 0.24)
&rst
ixpk= 1336, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 17, 18, 19,
&end
#
# 3 VAL H 4 GLU H 3.06 (#peak 1337 #SUP 0.40 #QF 0.40)
&rst
ixpk= 1337, nxpk= 0, iat= 30, 46, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 13 LEU H 16 LEU H 5.30 (#peak 1339 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1339, nxpk= 0, iat= 163, 220, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 16 LEU HA 16 LEU HG 3.85 (#peak 1344 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1344, nxpk= 0, iat= 222, 227, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 16 LEU HA 16 LEU QD2 3.89 (#peak 1346 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1346, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 233, 234, 235,
&end
#
# 16 LEU HA 16 LEU QD1 3.89 (#peak 1348 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1348, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 229, 230, 231,
&end
#
# 2 ILE QD1 16 LEU HA 4.73 (#peak 1350 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1350, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 24, 25, 26,
&end
#
# 13 LEU HA 16 LEU HG 5.35 (#peak 1353 #SUP 0.48 #QF 0.48)
&rst
ixpk= 1353, nxpk= 0, iat= 165, 227, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 121 GLU HA 122 ARG H 3.50 (#peak 1355 #SUP 0.99 #QF 0.46)
&rst
ixpk= 1355, nxpk= 0, iat= 637, 650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 GLY QA 122 ARG H 3.89 (#peak 1356 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1356, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 630, 631,
&end
#
# 122 ARG H 122 ARG QD 4.88 (#peak 1357 #SUP 0.96 #QF 0.91)
&rst
ixpk= 1357, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 660, 661,
&end
#
# 122 ARG H 122 ARG HB2 3.80 (#peak 1360 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1360, nxpk= 0, iat= 650, 654, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 122 ARG H 122 ARG HB3 3.80 (#peak 1361 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1361, nxpk= 0, iat= 650, 655, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 122 ARG H 122 ARG QG 3.87 (#peak 1362 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1362, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 657, 658,
&end
#
# 119 CYSS HA 122 ARG H 4.82 (#peak 1363 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1363, nxpk= 0, iat= 620, 650, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 121 GLU HB2 122 ARG H 4.56 (#peak 1367 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1367, nxpk= 0, iat= 639, 650, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 121 GLU HB3 122 ARG H 4.56 (#peak 1368 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1368, nxpk= 0, iat= 640, 650, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 122 ARG H 123 GLY H 2.96 (#peak 1373 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1373, nxpk= 0, iat= 650, 674, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 122 ARG H 122 ARG HE 5.50 (#peak 1375 #SUP 0.82 #QF 0.54)
&rst
ixpk= 1375, nxpk= 0, iat= 650, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 PHE HA 124 PHE QE 5.44 (#peak 1381 #SUP 0.46 #QF 0.46) #1.0
&rst
ixpk= 1381, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr2= 691, 695,
&end
#
# 119 CYSS HA 122 ARG HE 4.72 (#peak 1382 #SUP 0.23 #QF 0.23)
&rst
ixpk= 1382, nxpk= 0, iat= 620, 663, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 116 TYR HA 124 PHE QE 3.89 (#peak 1383 #SUP 0.46 #QF 0.46)
&rst
ixpk= 1383, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 691, 695,
&end
#
# 122 ARG HA 122 ARG HE 5.50 (#peak 1384 #SUP 0.97 #QF 0.93)
&rst
ixpk= 1384, nxpk= 0, iat= 652, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 GLY HA2 124 PHE QE 4.74 (#peak 1385 #SUP 0.34 #QF 0.34)
&rst
ixpk= 1385, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 691, 695,
&end
#
# 116 TYR QB 124 PHE QE 4.06 (#peak 1390 #SUP 0.50 #QF 0.50)
&rst
ixpk= 1390, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 566, 567,
igr2= 691, 695,
&end
#
# 122 ARG HB2 122 ARG HE 4.55 (#peak 1395 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1395, nxpk= 0, iat= 654, 663, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 122 ARG HB3 122 ARG HE 4.55 (#peak 1396 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1396, nxpk= 0, iat= 655, 663, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 122 ARG QG 122 ARG HE 3.97 (#peak 1397 #SUP 1.00)
&rst
ixpk= 1397, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 657, 658,
&end
#
# 112 VAL QG1 124 PHE QE 4.22 (#peak 1402 #SUP 0.31 #QF 0.31)
&rst
ixpk= 1402, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 508, 509, 510,
igr2= 691, 695,
&end
#
# 112 VAL QG2 124 PHE QE 4.22 (#peak 1403 #SUP 0.45 #QF 0.45)
&rst
ixpk= 1403, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 512, 513, 514,
igr2= 691, 695,
&end
#
# 115 LEU QD1 124 PHE QE 5.33 (#peak 1404 #SUP 0.59 #QF 0.59)
&rst
ixpk= 1404, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 552, 553, 554,
igr2= 691, 695,
&end
#
# 115 LEU QD2 124 PHE QE 5.33 (#peak 1405 #SUP 0.52 #QF 0.52)
&rst
ixpk= 1405, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 556, 557, 558,
igr2= 691, 695,
&end
#
# 124 PHE H 124 PHE QE 5.50 (#peak 1414 #SUP 0.70 #QF 0.54)
&rst
ixpk= 1414, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 691, 695,
&end
#
# 116 TYR HA 120 GLY H 3.94 (#peak 1415 #SUP 1.00 #QF 0.42)
&rst
ixpk= 1415, nxpk= 0, iat= 564, 628, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 121 GLU HA 123 GLY H 4.52 (#peak 1415 #SUP 1.00 #QF 0.42)
&rst
ixpk= 1415, nxpk= 0, iat= 637, 674, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 122 ARG HB2 123 GLY H 4.34 (#peak 1417 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1417, nxpk= 0, iat= 654, 674, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 124 PHE H 124 PHE HB2 4.18 (#peak 1424 #SUP 1.00)
&rst
ixpk= 1424, nxpk= 0, iat= 681, 685, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 123 GLY HA2 124 PHE H 3.56 (#peak 1427 #SUP 1.00)
&rst
ixpk= 1427, nxpk= 0, iat= 676, 681, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 124 PHE H 124 PHE HB3 4.18 (#peak 1431 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1431, nxpk= 0, iat= 681, 686, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 122 ARG HB3 123 GLY H 4.34 (#peak 1433 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1433, nxpk= 0, iat= 655, 674, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 122 ARG QG 123 GLY H 4.65 (#peak 1434 #SUP 1.00)
&rst
ixpk= 1434, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 657, 658,
&end
#
# 124 PHE H 124 PHE QD 4.23 (#peak 1435 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1435, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 689, 697,
&end
#
# 21 ASN H 124 PHE H 4.13 (#peak 1438 #SUP 0.61 #QF 0.46)
&rst
ixpk= 1438, nxpk= 0, iat= 299, 681, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 124 PHE H 125 PHE H 4.68 (#peak 1438 #SUP 0.61 #QF 0.46)
&rst
ixpk= 1438, nxpk= 0, iat= 681, 701, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 124 PHE HA 124 PHE QD 3.93 (#peak 1443 #SUP 1.00)
&rst
ixpk= 1443, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 689, 697,
&end
#
# 124 PHE QD 125 PHE HA 4.17 (#peak 1444 #SUP 0.52 #QF 0.39)
&rst
ixpk= 1444, nxpk= 0, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 689, 697,
&end
#
# 124 PHE QD 126 TYR HA 4.56 (#peak 1444 #SUP 0.52 #QF 0.39)
&rst
ixpk= 1444, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 689, 697,
&end
#
# 116 TYR HA 124 PHE QD 4.26 (#peak 1445 #SUP 0.52 #QF 0.52)
&rst
ixpk= 1445, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 689, 697,
&end
#
# 123 GLY HA2 124 PHE QD 3.81 (#peak 1449 #SUP 0.53 #QF 0.53)
&rst
ixpk= 1449, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 689, 697,
&end
#
# 123 GLY HA3 124 PHE QD 5.50 (#peak 1450 #SUP 0.71 #QF 0.36)
&rst
ixpk= 1450, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 689, 697,
&end
#
# 106 LEU HG 111 LEU H 5.50 (#peak 1458 #SUP 0.76 #QF 0.31) #1.0
&rst
ixpk= 1458, nxpk= 0, iat= 426, 483, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 115 LEU QD1 124 PHE QD 5.43 (#peak 1461 #SUP 0.74 #QF 0.31)
&rst
ixpk= 1461, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 552, 553, 554,
igr2= 689, 697,
&end
#
# 115 LEU QD2 124 PHE QD 5.43 (#peak 1462 #SUP 0.63 #QF 0.63)
&rst
ixpk= 1462, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 556, 557, 558,
igr2= 689, 697,
&end
#
# 123 GLY H 124 PHE QD 5.07 (#peak 1466 #SUP 0.71 #QF 0.39)
&rst
ixpk= 1466, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 689, 697,
&end
#
# 124 PHE QD 126 TYR H 5.26 (#peak 1466 #SUP 0.71 #QF 0.39)
&rst
ixpk= 1466, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 689, 697,
&end
#
# 120 GLY QA 121 GLU H 3.07 (#peak 1479 #SUP 1.00)
&rst
ixpk= 1479, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1= 630, 631,
&end
#
# 20 CYSS HA 21 ASN H 3.09 (#peak 1484 #SUP 0.96 #QF 0.84)
&rst
ixpk= 1484, nxpk= 0, iat= 291, 299, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 21 ASN H 124 PHE HA 3.57 (#peak 1484 #SUP 0.96 #QF 0.84)
&rst
ixpk= 1484, nxpk= 0, iat= 299, 683, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 124 PHE HA 125 PHE H 3.54 (#peak 1484 #SUP 0.96 #QF 0.84)
&rst
ixpk= 1484, nxpk= 0, iat= 683, 701, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 125 PHE H 125 PHE HB3 3.78 (#peak 1489 #SUP 0.92 #QF 0.29)
&rst
ixpk= 1489, nxpk= 0, iat= 701, 706, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 125 PHE H 125 PHE HB2 3.78 (#peak 1490 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1490, nxpk= 0, iat= 701, 705, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 125 PHE H 125 PHE QD 4.39 (#peak 1493 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1493, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 709, 717,
&end
#
# 21 ASN H 123 GLY H 4.85 (#peak 1494 #SUP 0.98 #QF 0.23)
&rst
ixpk= 1494, nxpk= 0, iat= 299, 674, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 125 PHE H 126 TYR H 4.51 (#peak 1495 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1495, nxpk= 0, iat= 701, 721, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 125 PHE HA 125 PHE QE 4.75 (#peak 1502 #SUP 0.98 #QF 0.97)
&rst
ixpk= 1502, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 711, 715,
&end
#
# 19 TYR QD 126 TYR HA 5.23 (#peak 1502 #SUP 0.98 #QF 0.97)
&rst
ixpk= 1502, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 276, 285,
&end
#
# 125 PHE HA 125 PHE QD 3.96 (#peak 1503 #SUP 1.00)
&rst
ixpk= 1503, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 709, 717,
&end
#
# 125 PHE QD 127 THR QG2 5.50 (#peak 1510 #SUP 0.59 #QF 0.59)
&rst
ixpk= 1510, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 709, 717,
igr2= 748, 749, 750,
&end
#
# 125 PHE QD 126 TYR H 4.21 (#peak 1513 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1513, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 709, 717,
&end
#
# 125 PHE QD 127 THR H 4.21 (#peak 1514 #SUP 0.22 #QF 0.22)
&rst
ixpk= 1514, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 709, 717,
&end
#
# 125 PHE HA 126 TYR H 3.34 (#peak 1517 #SUP 1.00)
&rst
ixpk= 1517, nxpk= 0, iat= 703, 721, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 119 CYSS HB3 123 GLY H 4.67 (#peak 1519 #SUP 1.00 #QF 0.47)
&rst
ixpk= 1519, nxpk= 0, iat= 623, 674, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 126 TYR H 126 TYR QD 4.26 (#peak 1526 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1526, nxpk= 0, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 729, 738,
&end
#
# 125 PHE HA 126 TYR QD 4.32 (#peak 1527 #SUP 1.00 #QF 0.64)
&rst
ixpk= 1527, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 729, 738,
&end
#
# 126 TYR HA 126 TYR QD 4.57 (#peak 1527 #SUP 1.00 #QF 0.64)
&rst
ixpk= 1527, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 729, 738,
&end
#
# 125 PHE HA 126 TYR QE 4.28 (#peak 1528 #SUP 0.22 #QF 0.22)
&rst
ixpk= 1528, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 731, 736,
&end
#
# 126 TYR QD 128 PRO QD 4.88 (#peak 1530 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1530, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 729, 738,
igr2= 757, 758,
&end
#
# 126 TYR QD 127 THR H 4.86 (#peak 1540 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1540, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 729, 738,
&end
#
# 126 TYR HA 127 THR H 3.47 (#peak 1542 #SUP 1.00)
&rst
ixpk= 1542, nxpk= 0, iat= 723, 742, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 127 THR H 128 PRO QD 4.77 (#peak 1544 #SUP 1.00)
&rst
ixpk= 1544, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 757, 758,
&end
#
# 127 THR H 127 THR QG2 4.43 (#peak 1547 #SUP 1.00)
&rst
ixpk= 1547, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 748, 749, 750,
&end
#
# 127 THR H 127 THR HB 3.80 (#peak 1548 #SUP 1.00)
&rst
ixpk= 1548, nxpk= 0, iat= 742, 746, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 127 THR HB 128 PRO QD 4.46 (#peak 1556 #SUP 1.00)
&rst
ixpk= 1556, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 757, 758,
&end
#
# 127 THR QG2 128 PRO QD 4.53 (#peak 1557 #SUP 1.00 #QF 0.31)
&rst
ixpk= 1557, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 748, 749, 750,
igr2= 757, 758,
&end
#
# 14 TYR H 14 TYR HB3 3.81 (#peak 1567 #SUP 0.99 #QF 0.96)
&rst
ixpk= 1567, nxpk= 0, iat= 182, 187, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 14 TYR HB3 15 GLN H 4.24 (#peak 1567 #SUP 0.99 #QF 0.96)
&rst
ixpk= 1567, nxpk= 0, iat= 187, 203, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 14 TYR H 14 TYR HB2 3.81 (#peak 1568 #SUP 0.96 #QF 0.89)
&rst
ixpk= 1568, nxpk= 0, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 14 TYR HB2 15 GLN H 4.24 (#peak 1568 #SUP 0.96 #QF 0.89)
&rst
ixpk= 1568, nxpk= 0, iat= 186, 203, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 13 LEU QD1 14 TYR H 5.25 (#peak 1571 #SUP 0.99 #QF 0.97)
&rst
ixpk= 1571, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 172, 173, 174,
&end
#
# 13 LEU QD2 14 TYR H 5.25 (#peak 1572 #SUP 0.99 #QF 0.96)
&rst
ixpk= 1572, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 176, 177, 178,
&end
#
# 13 LEU H 14 TYR H 3.66 (#peak 1575 #SUP 1.00)
&rst
ixpk= 1575, nxpk= 0, iat= 163, 182, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 14 TYR HA 14 TYR QE 4.69 (#peak 1577 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1577, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 192, 197,
&end
#
# 12 SER HA 13 LEU H 3.42 (#peak 1584 #SUP 1.00)
&rst
ixpk= 1584, nxpk= 0, iat= 154, 163, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 12 SER HB2 13 LEU H 4.11 (#peak 1585 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1585, nxpk= 0, iat= 156, 163, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 13 LEU H 14 TYR HA 5.47 (#peak 1586 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1586, nxpk= 0, iat= 163, 184, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 12 SER HB3 13 LEU H 4.11 (#peak 1587 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1587, nxpk= 0, iat= 157, 163, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 13 LEU H 14 TYR HB3 5.50 (#peak 1589 #SUP 0.69 #QF 0.60)
&rst
ixpk= 1589, nxpk= 0, iat= 163, 187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LEU H 13 LEU QD1 4.59 (#peak 1591 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1591, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 172, 173, 174,
&end
#
# 13 LEU H 13 LEU QD2 4.59 (#peak 1592 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1592, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 176, 177, 178,
&end
#
# 13 LEU H 14 TYR HB2 5.50 (#peak 1597 #SUP 0.66 #QF 0.66)
&rst
ixpk= 1597, nxpk= 0, iat= 163, 186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU QD1 114 ALA QB 4.05 (#peak 1602 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1602, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 229, 230, 231,
igr2= 537, 538, 539,
&end
#
# 16 LEU QD2 114 ALA QB 4.05 (#peak 1603 #SUP 1.00)
&rst
ixpk= 1603, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 233, 234, 235,
igr2= 537, 538, 539,
&end
#
# 11 CYSS HA 12 SER H 3.28 (#peak 1613 #SUP 1.00)
&rst
ixpk= 1613, nxpk= 0, iat= 144, 152, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 11 CYSS HB2 12 SER H 4.17 (#peak 1617 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1617, nxpk= 0, iat= 146, 152, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 11 CYSS HB3 12 SER H 4.17 (#peak 1618 #SUP 0.65 #QF 0.65)
&rst
ixpk= 1618, nxpk= 0, iat= 147, 152, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 12 SER H 15 GLN HG3 4.19 (#peak 1620 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1620, nxpk= 0, iat= 152, 211, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 12 SER H 15 GLN HG2 4.19 (#peak 1624 #SUP 0.34 #QF 0.34)
&rst
ixpk= 1624, nxpk= 0, iat= 152, 210, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 11 CYSS H 12 SER H 4.53 (#peak 1627 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1627, nxpk= 0, iat= 142, 152, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 1 GLY QA 2 ILE H 3.16 (#peak 1631 #SUP 1.00 #QF 0.97)
&rst
ixpk= 1631, nxpk= 0, iat= -1, 11, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1= 6, 7,
&end
#
# 2 ILE H 2 ILE HB 3.63 (#peak 1632 #SUP 0.65 #QF 0.65)
&rst
ixpk= 1632, nxpk= 0, iat= 11, 15, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 2 ILE H 2 ILE QG2 3.42 (#peak 1641 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1641, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 17, 18, 19,
&end
#
# 2 ILE H 2 ILE QD1 4.66 (#peak 1642 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1642, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 24, 25, 26,
&end
#
# 2 ILE HB 2 ILE QD1 3.60 (#peak 1645 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1645, nxpk= 0, iat= 15, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 24, 25, 26,
&end
#
# 129 LYS H 129 LYS QG 4.98 (#peak 1654 #SUP 1.00)
&rst
ixpk= 1654, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 777, 778,
&end
#
# 129 LYS H 129 LYS QE 5.50 (#peak 1658 #SUP 0.63 #QF 0.46)
&rst
ixpk= 1658, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 783, 784,
&end
#
# 129 LYS HA 130 THR H 3.50 (#peak 1672 #SUP 0.98 #QF 0.85)
&rst
ixpk= 1672, nxpk= 0, iat= 772, 792, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 130 THR H 130 THR QG2 4.77 (#peak 1673 #SUP 1.00)
&rst
ixpk= 1673, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 798, 799, 800,
&end
#
# 3 VAL HA 6 CYSS H 4.44 (#peak 1677 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1677, nxpk= 0, iat= 32, 78, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 7 CYSS HB2 8 THR H 4.15 (#peak 1679 #SUP 1.00)
&rst
ixpk= 1679, nxpk= 0, iat= 92, 98, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 13 LEU HA 16 LEU H 3.91 (#peak 1684 #SUP 0.88 #QF 0.41)
&rst
ixpk= 1684, nxpk= 0, iat= 165, 220, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 109 SER QB 110 HIS H 4.13 (#peak 1684 #SUP 0.88 #QF 0.41)
&rst
ixpk= 1684, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 459, 460,
&end
#
# 111 LEU HA 113 GLU H 5.21 (#peak 1686 #SUP 0.99 #QF 0.59)
&rst
ixpk= 1686, nxpk= 0, iat= 485, 518, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 110 HIS HA 112 VAL H 4.87 (#peak 1687 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1687, nxpk= 0, iat= 468, 502, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 109 SER HA 112 VAL H 3.60 (#peak 1688 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1688, nxpk= 0, iat= 457, 502, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 109 SER QB 112 VAL H 4.97 (#peak 1693 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1693, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 459, 460,
&end
#
# 119 CYSS HB2 123 GLY H 4.67 (#peak 1695 #SUP 0.97 #QF 0.87)
&rst
ixpk= 1695, nxpk= 0, iat= 622, 674, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 129 LYS QE 131 ARG H 4.70 (#peak 1698 #SUP 0.21 #QF 0.21)
&rst
ixpk= 1698, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 783, 784,
&end
#
# 16 LEU QD1 115 LEU H 5.16 (#peak 1706 #SUP 0.29 #QF 0.29)
&rst
ixpk= 1706, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 229, 230, 231,
&end
#
# 2 ILE QG2 4 GLU H 4.68 (#peak 1711 #SUP 0.73 #QF 0.56)
&rst
ixpk= 1711, nxpk= 0, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 17, 18, 19,
&end
#
# 16 LEU QD2 115 LEU H 5.16 (#peak 1711 #SUP 0.73 #QF 0.56)
&rst
ixpk= 1711, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 233, 234, 235,
&end
#
# 16 LEU HB3 18 ASN H 5.31 (#peak 1713 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1713, nxpk= 0, iat= 225, 254, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 111 LEU HB2 112 VAL H 4.18 (#peak 1714 #SUP 1.00)
&rst
ixpk= 1714, nxpk= 0, iat= 487, 502, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 2 ILE H 3 VAL HA 5.50 (#peak 1722 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1722, nxpk= 0, iat= 11, 32, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 LEU HB3 119 CYSS H 5.08 (#peak 1723 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1723, nxpk= 0, iat= 588, 618, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 10 ILE HB 105 HIS H 5.26 (#peak 1725 #SUP 0.94 #QF 0.92)
&rst
ixpk= 1725, nxpk= 0, iat= 127, 402, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 105 HIS H 106 LEU HG 5.50 (#peak 1725 #SUP 0.94 #QF 0.92)
&rst
ixpk= 1725, nxpk= 0, iat= 402, 426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 SER H 16 LEU HB2 5.50 (#peak 1726 #SUP 0.68 #QF 0.22)
&rst
ixpk= 1726, nxpk= 0, iat= 152, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 SER H 16 LEU QD1 5.50 (#peak 1731 #SUP 0.43 #QF 0.43)
&rst
ixpk= 1731, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 229, 230, 231,
&end
#
# 12 SER H 16 LEU QD2 5.50 (#peak 1732 #SUP 0.56 #QF 0.56)
&rst
ixpk= 1732, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 233, 234, 235,
&end
#
# 2 ILE QD1 12 SER H 5.50 (#peak 1734 #SUP 0.67 #QF 0.67)
&rst
ixpk= 1734, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 24, 25, 26,
&end
#
# 105 HIS H 106 LEU QD2 5.50 (#peak 1736 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1736, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 432, 433, 434,
&end
#
# 118 VAL H 119 CYSS HA 5.33 (#peak 1738 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1738, nxpk= 0, iat= 602, 620, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 10 ILE HA 104 GLN H 4.89 (#peak 1743 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1743, nxpk= 0, iat= 125, 385, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 19 TYR H 115 LEU QD2 5.38 (#peak 1755 #SUP 0.23 #QF 0.23)
&rst
ixpk= 1755, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 556, 557, 558,
&end
#
# 2 ILE QD1 19 TYR H 5.50 (#peak 1757 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1757, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 24, 25, 26,
&end
#
# 2 ILE QG2 19 TYR H 5.50 (#peak 1758 #SUP 0.49 #QF 0.36)
&rst
ixpk= 1758, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 17, 18, 19,
&end
#
# 16 LEU QD2 19 TYR H 5.50 (#peak 1758 #SUP 0.49 #QF 0.36)
&rst
ixpk= 1758, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 233, 234, 235,
&end
#
# 16 LEU QD1 19 TYR H 5.50 (#peak 1759 #SUP 0.63 #QF 0.63)
&rst
ixpk= 1759, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 229, 230, 231,
&end
#
# 114 ALA H 117 LEU HB2 5.50 (#peak 1765 #SUP 0.61 #QF 0.37)
&rst
ixpk= 1765, nxpk= 0, iat= 533, 587, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLN H 16 LEU HB2 5.20 (#peak 1767 #SUP 0.84 #QF 0.22)
&rst
ixpk= 1767, nxpk= 0, iat= 203, 224, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 16 LEU HB2 18 ASN H 5.46 (#peak 1767 #SUP 0.84 #QF 0.22)
&rst
ixpk= 1767, nxpk= 0, iat= 224, 254, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 15 GLN H 16 LEU HG 4.84 (#peak 1768 #SUP 0.46 #QF 0.46) #0.5
&rst
ixpk= 1768, nxpk= 0, iat= 203, 227, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 14 TYR H 118 VAL QG2 5.50 (#peak 1771 #SUP 0.92 #QF 0.41) #1.0
&rst
ixpk= 1771, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr2= 612, 613, 614,
&end
#
# 7 CYSS HA 9 SER H 5.50 (#peak 1773 #SUP 0.67 #QF 0.58)
&rst
ixpk= 1773, nxpk= 0, iat= 90, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 TYR QD 20 CYSS HA 5.50 (#peak 1775 #SUP 0.78 #QF 0.49)
&rst
ixpk= 1775, nxpk= 0, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 276, 285,
&end
#
# 19 TYR QD 124 PHE HA 5.50 (#peak 1775 #SUP 0.78 #QF 0.49)
&rst
ixpk= 1775, nxpk= 0, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 276, 285,
&end
#
# 16 LEU HG 19 TYR QD 5.50 (#peak 1778 #SUP 0.66 #QF 0.40)
&rst
ixpk= 1778, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 276, 285,
&end
#
# 106 LEU HB2 112 VAL H 5.50 (#peak 1778 #SUP 0.66 #QF 0.40)
&rst
ixpk= 1778, nxpk= 0, iat= 423, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 THR QG2 9 SER H 4.43 (#peak 1781 #SUP 1.00)
&rst
ixpk= 1781, nxpk= 0, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 104, 105, 106,
&end
#
# 107 CYSS HA 111 LEU H 5.05 (#peak 1782 #SUP 1.00)
&rst
ixpk= 1782, nxpk= 0, iat= 440, 483, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 119 CYSS HA 124 PHE QD 5.33 (#peak 1784 #SUP 0.26 #QF 0.26)
&rst
ixpk= 1784, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 689, 697,
&end
#
# 112 VAL HA 124 PHE QE 4.73 (#peak 1785 #SUP 0.32 #QF 0.32)
&rst
ixpk= 1785, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 691, 695,
&end
#
# 111 LEU H 112 VAL HA 5.50 (#peak 1786 #SUP 0.92 #QF 0.89)
&rst
ixpk= 1786, nxpk= 0, iat= 483, 504, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 VAL HA 124 PHE QD 5.50 (#peak 1786 #SUP 0.92 #QF 0.89)
&rst
ixpk= 1786, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 689, 697,
&end
#
# 19 TYR QE 127 THR HB 5.50 (#peak 1792 #SUP 0.60 #QF 0.35)
&rst
ixpk= 1792, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 278, 283,
&end
#
# 116 TYR QE 117 LEU HA 5.50 (#peak 1792 #SUP 0.60 #QF 0.35)
&rst
ixpk= 1792, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 572, 577,
&end
#
# 105 HIS HD2 106 LEU H 5.50 (#peak 1795 #SUP 0.55 #QF 0.55)
&rst
ixpk= 1795, nxpk= 0, iat= 415, 419, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ILE H 11 CYSS H 4.74 (#peak 1798 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1798, nxpk= 0, iat= 123, 142, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 2 ILE QD1 11 CYSS HA 5.50 (#peak 1802 #SUP 0.77 #QF 0.67)
&rst
ixpk= 1802, nxpk= 0, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 24, 25, 26,
&end
#
# 10 ILE QG2 11 CYSS HA 5.50 (#peak 1802 #SUP 0.77 #QF 0.67)
&rst
ixpk= 1802, nxpk= 0, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 129, 130, 131,
&end
#
# 5 GLN HA 6 CYSS HA 5.12 (#peak 1804 #SUP 0.76 #QF 0.51)
&rst
ixpk= 1804, nxpk= 0, iat= 63, 80, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 7 CYSS HA 8 THR HA 5.49 (#peak 1804 #SUP 0.76 #QF 0.51)
&rst
ixpk= 1804, nxpk= 0, iat= 90, 100, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 119 CYSS HA 122 ARG QG 5.50 (#peak 1809 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1809, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 657, 658,
&end
#
# 7 CYSS HA 106 LEU HB2 5.21 (#peak 1811 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1811, nxpk= 0, iat= 90, 423, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 7 CYSS HA 8 THR QG2 5.39 (#peak 1812 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1812, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 104, 105, 106,
&end
#
# 9 SER HA 10 ILE HG12 5.50 (#peak 1813 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1813, nxpk= 0, iat= 114, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 SER HA 10 ILE QG2 5.20 (#peak 1814 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1814, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 129, 130, 131,
&end
#
# 2 ILE QD1 6 CYSS HA 5.50 (#peak 1815 #SUP 0.88 #QF 0.29)
&rst
ixpk= 1815, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 24, 25, 26,
&end
#
# 6 CYSS HA 10 ILE QG2 5.50 (#peak 1815 #SUP 0.88 #QF 0.29)
&rst
ixpk= 1815, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 129, 130, 131,
&end
#
# 106 LEU HA 106 LEU QD2 4.22 (#peak 1834 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1834, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 432, 433, 434,
&end
#
# 10 ILE HA 10 ILE QG2 3.72 (#peak 1837 #SUP 1.00)
&rst
ixpk= 1837, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 129, 130, 131,
&end
#
# 10 ILE HA 10 ILE QD1 5.04 (#peak 1838 #SUP 1.00)
&rst
ixpk= 1838, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 136, 137, 138,
&end
#
# 17 GLU HA 17 GLU HG3 4.11 (#peak 1839 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1839, nxpk= 0, iat= 241, 247, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 4 GLU HA 8 THR QG2 4.28 (#peak 1845 #SUP 0.72 #QF 0.72)
&rst
ixpk= 1845, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 104, 105, 106,
&end
#
# 16 LEU HA 115 LEU QD2 4.84 (#peak 1848 #SUP 0.25 #QF 0.25)
&rst
ixpk= 1848, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 556, 557, 558,
&end
#
# 106 LEU HB3 110 HIS HB2 5.13 (#peak 1852 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1852, nxpk= 0, iat= 424, 470, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 106 LEU QD1 110 HIS HB2 5.50 (#peak 1853 #SUP 0.93 #QF 0.58)
&rst
ixpk= 1853, nxpk= 0, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 428, 429, 430,
&end
#
# 117 LEU HB3 117 LEU QD2 3.36 (#peak 1857 #SUP 0.87 #QF 0.21)
&rst
ixpk= 1857, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 596, 597, 598,
&end
#
# 116 TYR HA 118 VAL H 4.75 (#peak 1870 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1870, nxpk= 0, iat= 564, 602, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 109 SER H 112 VAL HB 5.50 (#peak 1875 #SUP 0.72 #QF 0.33)
&rst
ixpk= 1875, nxpk= 0, iat= 455, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 GLY H 111 LEU HG 4.75 (#peak 1877 #SUP 0.46 #QF 0.46)
&rst
ixpk= 1877, nxpk= 0, iat= 448, 490, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 107 CYSS HA 110 HIS H 5.43 (#peak 1883 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1883, nxpk= 0, iat= 440, 466, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 14 TYR H 118 VAL QG1 5.50 (#peak 1899 #SUP 0.46 #QF 0.46)
&rst
ixpk= 1899, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 608, 609, 610,
&end
#
# 6 CYSS HA 10 ILE H 5.29 (#peak 1900 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1900, nxpk= 0, iat= 80, 123, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 18 ASN HA 18 ASN HD22 5.50 (#peak 1905 #SUP 1.00)
&rst
ixpk= 1905, nxpk= 0, iat= 256, 264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LEU H 101 PHE QD 5.50 (#peak 1915 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1915, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 335, 343,
&end
#
# 9 SER HB3 10 ILE QD1 5.50 (#peak 1922 #SUP 0.97 #QF 0.76)
&rst
ixpk= 1922, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 136, 137, 138,
&end
#
# 9 SER HB2 10 ILE QD1 5.50 (#peak 1923 #SUP 0.72 #QF 0.53)
&rst
ixpk= 1923, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 136, 137, 138,
&end
#
# 117 LEU HB2 119 CYSS H 5.50 (#peak 1933 #SUP 0.41 #QF 0.23)
&rst
ixpk= 1933, nxpk= 0, iat= 587, 618, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 LEU HG 119 CYSS H 5.50 (#peak 1933 #SUP 0.41 #QF 0.23)
&rst
ixpk= 1933, nxpk= 0, iat= 590, 618, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 LEU QD2 119 CYSS H 5.50 (#peak 1935 #SUP 0.49 #QF 0.49)
&rst
ixpk= 1935, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 556, 557, 558,
&end
#
# 6 CYSS HA 8 THR H 5.31 (#peak 1936 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1936, nxpk= 0, iat= 80, 98, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 20 CYSS H 21 ASN HA 5.50 (#peak 1937 #SUP 0.53 #QF 0.53)
&rst
ixpk= 1937, nxpk= 0, iat= 289, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 GLY HA3 124 PHE QE 5.50 (#peak 1939 #SUP 0.23 #QF 0.23)
&rst
ixpk= 1939, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 691, 695,
&end
#
# 121 GLU H 122 ARG H 3.37 (#peak 1951 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1951, nxpk= 0, iat= 635, 650, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 13 LEU H 14 TYR QD 5.50 (#peak 1953 #SUP 0.71 #QF 0.71)
&rst
ixpk= 1953, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 190, 199,
&end
#
# 113 GLU HB2 116 TYR QB 5.50 (#peak 1964 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1964, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 566, 567,
&end
#
# 111 LEU QD1 112 VAL HA 5.50 (#peak 1967 #SUP 0.95 #QF 0.95) #3.0
&rst
ixpk= 1967, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 9.61, r4= 10.11,
igr1= 492, 493, 494,
&end
#
# 111 LEU QD2 112 VAL HA 5.50 (#peak 1970 #SUP 0.92 #QF 0.24)
&rst
ixpk= 1970, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 496, 497, 498,
&end
#
# 112 VAL HA 115 LEU QD1 4.06 (#peak 1971 #SUP 0.37 #QF 0.37)
&rst
ixpk= 1971, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 552, 553, 554,
&end
#
# 106 LEU HG 110 HIS HB3 4.72 (#peak 1975 #SUP 0.52 #QF 0.25)
&rst
ixpk= 1975, nxpk= 0, iat= 426, 471, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 13 LEU H 13 LEU HG 3.33 (#peak 1985 #SUP 0.56 #QF 0.56)
&rst
ixpk= 1985, nxpk= 0, iat= 163, 170, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 103 LYS H 103 LYS QE 4.22 (#peak 1987 #SUP 0.77 #QF 0.29)
&rst
ixpk= 1987, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 376, 377,
&end
#
# 103 LYS H 103 LYS QD 4.32 (#peak 1990 #SUP 0.93 #QF 0.68)
&rst
ixpk= 1990, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 373, 374,
&end
#
# 2 ILE H 2 ILE QG1 4.44 (#peak 1071)
&rst
ixpk= 1071, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 21, 22,
&end
#
# 2 ILE H 3 VAL QQG 4.70 (#peak 1635)
&rst
ixpk= 1635, nxpk= 0, iat= 11, 33, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 2 ILE HA 5 GLN QB 3.18 (#peak 888)
&rst
ixpk= 888, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 65, 66,
&end
#
# 2 ILE QG2 2 ILE QG1 2.60 (#peak 287) #1.0
&rst
ixpk= 287, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 17, 18, 19,
igr2= 21, 22,
&end
#
# 2 ILE QG2 3 VAL QQG 3.08 (#peak 287) #1.0
&rst
ixpk= 287, nxpk= 0, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 17, 18, 19,
&end
#
# 2 ILE QG1 3 VAL H 4.54 (#peak 847)
&rst
ixpk= 847, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 21, 22,
&end
#
# 2 ILE QG1 6 CYSS H 4.46 (#peak 1655)
&rst
ixpk= 1655, nxpk= 0, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 21, 22,
&end
#
# 2 ILE QG1 19 TYR QE 3.59 (#peak 1018)
&rst
ixpk= 1018, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 21, 22,
igr2= 278, 283,
&end
#
# 2 ILE QD1 11 CYSS QB 3.72 (#peak 1184)
&rst
ixpk= 1184, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 24, 25, 26,
igr2= 146, 147,
&end
#
# 2 ILE QD1 19 TYR QB 4.06 (#peak 1184)
&rst
ixpk= 1184, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 24, 25, 26,
igr2= 272, 273,
&end
#
# 3 VAL H 3 VAL QQG 3.04 (#peak 248)
&rst
ixpk= 248, nxpk= 0, iat= 30, 33, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 3 VAL H 111 LEU QQD 5.12 (#peak 1327)
&rst
ixpk= 1327, nxpk= 0, iat= 30, 489, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 3 VAL HA 6 CYSS QB 3.70 (#peak 263)
&rst
ixpk= 263, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 82, 83,
&end
#
# 3 VAL HA 111 LEU QQD 3.78 (#peak 274)
&rst
ixpk= 274, nxpk= 0, iat= 32, 489, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 3 VAL QQG 4 GLU H 4.12 (#peak 237)
&rst
ixpk= 237, nxpk= 0, iat= 33, 46, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 3 VAL QQG 4 GLU HA 4.30 (#peak 1846)
&rst
ixpk= 1846, nxpk= 0, iat= 33, 48, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 3 VAL QQG 5 GLN H 5.28 (#peak 59)
&rst
ixpk= 59, nxpk= 0, iat= 33, 61, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 3 VAL QQG 7 CYSS H 5.44 (#peak 59)
&rst
ixpk= 59, nxpk= 0, iat= 33, 88, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 3 VAL QQG 7 CYSS QB 3.99 (#peak 134)
&rst
ixpk= 134, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 92, 93,
&end
#
# 3 VAL QQG 128 PRO QB 4.48 (#peak 404)
&rst
ixpk= 404, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 763, 764,
&end
#
# 4 GLU H 4 GLU QB 2.61 (#peak 44)
&rst
ixpk= 44, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
igr2= 50, 51,
&end
#
# 4 GLU H 4 GLU QG 4.62 (#peak 236)
&rst
ixpk= 236, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 53, 54,
&end
#
# 4 GLU HA 4 GLU QG 3.41 (#peak 242)
&rst
ixpk= 242, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 53, 54,
&end
#
# 4 GLU QB 5 GLN H 3.87 (#peak 194)
&rst
ixpk= 194, nxpk= 0, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 50, 51,
&end
#
# 4 GLU QG 5 GLN H 3.85 (#peak 197)
&rst
ixpk= 197, nxpk= 0, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 53, 54,
&end
#
# 4 GLU QG 8 THR H 5.11 (#peak 236)
&rst
ixpk= 236, nxpk= 0, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 53, 54,
&end
#
# 4 GLU QG 8 THR QG2 4.62 (#peak 128)
&rst
ixpk= 128, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 53, 54,
igr2= 104, 105, 106,
&end
#
# 5 GLN H 5 GLN QB 3.03 (#peak 193)
&rst
ixpk= 193, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 65, 66,
&end
#
# 5 GLN H 5 GLN QG 4.09 (#peak 199)
&rst
ixpk= 199, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 68, 69,
&end
#
# 5 GLN HA 5 GLN QG 3.08 (#peak 204)
&rst
ixpk= 204, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 68, 69,
&end
#
# 5 GLN QB 5 GLN HE21 4.02 (#peak 222)
&rst
ixpk= 222, nxpk= 0, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 65, 66,
&end
#
# 5 GLN QB 6 CYSS H 2.80 (#peak 166)
&rst
ixpk= 166, nxpk= 0, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 65, 66,
&end
#
# 5 GLN QG 5 GLN HE21 3.08 (#peak 220)
&rst
ixpk= 220, nxpk= 0, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 68, 69,
&end
#
# 5 GLN QG 6 CYSS H 4.94 (#peak 175)
&rst
ixpk= 175, nxpk= 0, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 68, 69,
&end
#
# 5 GLN HE21 9 SER QB 5.34 (#peak 216)
&rst
ixpk= 216, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 116, 117,
&end
#
# 5 GLN HE22 9 SER QB 5.34 (#peak 224)
&rst
ixpk= 224, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 116, 117,
&end
#
# 6 CYSS H 6 CYSS QB 3.21 (#peak 163)
&rst
ixpk= 163, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 82, 83,
&end
#
# 6 CYSS H 7 CYSS QB 5.07 (#peak 172)
&rst
ixpk= 172, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 92, 93,
&end
#
# 6 CYSS H 111 LEU QQD 5.44 (#peak 179)
&rst
ixpk= 179, nxpk= 0, iat= 78, 489, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 6 CYSS HA 11 CYSS QB 4.71 (#peak 156)
&rst
ixpk= 156, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 146, 147,
&end
#
# 6 CYSS HA 111 LEU QQD 4.53 (#peak 1816) #1.0
&rst
ixpk= 1816, nxpk= 0, iat= 80, 489, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 6 CYSS QB 7 CYSS H 4.13 (#peak 63)
&rst
ixpk= 63, nxpk= 0, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 82, 83,
&end
#
# 6 CYSS QB 16 LEU QQD 4.70 (#peak 185) #1.0
&rst
ixpk= 185, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 82, 83,
&end
#
# 6 CYSS QB 106 LEU H 3.75 (#peak 1718)
&rst
ixpk= 1718, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 82, 83,
&end
#
# 6 CYSS QB 106 LEU HB2 3.54 (#peak 151)
&rst
ixpk= 151, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 82, 83,
&end
#
# 6 CYSS QB 106 LEU QQD 4.05 (#peak 153) #0.5
&rst
ixpk= 153, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 82, 83,
&end
#
# 6 CYSS QB 111 LEU HA 5.34 (#peak 110)
&rst
ixpk= 110, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 82, 83,
&end
#
# 6 CYSS QB 111 LEU QQD 2.87 (#peak 1973)
&rst
ixpk= 1973, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr1= 82, 83,
&end
#
# 7 CYSS H 7 CYSS QB 3.11 (#peak 56)
&rst
ixpk= 56, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 92, 93,
&end
#
# 7 CYSS HA 105 HIS QB 3.90 (#peak 144)
&rst
ixpk= 144, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 406, 407,
&end
#
# 7 CYSS HA 106 LEU QQD 5.44 (#peak 1817)
&rst
ixpk= 1817, nxpk= 0, iat= 90, 425, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 7 CYSS HA 107 CYSS QB 4.14 (#peak 146)
&rst
ixpk= 146, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 442, 443,
&end
#
# 7 CYSS HA 111 LEU QQD 5.44 (#peak 1817)
&rst
ixpk= 1817, nxpk= 0, iat= 90, 489, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 7 CYSS QB 8 THR H 3.33 (#peak 43)
&rst
ixpk= 43, nxpk= 0, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 92, 93,
&end
#
# 7 CYSS QB 8 THR HA 4.95 (#peak 110)
&rst
ixpk= 110, nxpk= 0, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 92, 93,
&end
#
# 7 CYSS QB 8 THR QG2 3.87 (#peak 130)
&rst
ixpk= 130, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 92, 93,
igr2= 104, 105, 106,
&end
#
# 7 CYSS QB 107 CYSS HA 3.22 (#peak 142)
&rst
ixpk= 142, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1= 92, 93,
&end
#
# 7 CYSS QB 111 LEU QQD 4.97 (#peak 140)
&rst
ixpk= 140, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 92, 93,
&end
#
# 8 THR H 9 SER QB 4.94 (#peak 1681)
&rst
ixpk= 1681, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 116, 117,
&end
#
# 8 THR QG2 9 SER QB 5.34 (#peak 112)
&rst
ixpk= 112, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 104, 105, 106,
igr2= 116, 117,
&end
#
# 9 SER H 9 SER QB 3.55 (#peak 38)
&rst
ixpk= 38, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 116, 117,
&end
#
# 9 SER HA 10 ILE QG1 4.80 (#peak 1813)
&rst
ixpk= 1813, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 133, 134,
&end
#
# 9 SER QB 10 ILE H 3.37 (#peak 15)
&rst
ixpk= 15, nxpk= 0, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 116, 117,
&end
#
# 9 SER QB 10 ILE QG1 4.76 (#peak 1922)
&rst
ixpk= 1922, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 116, 117,
igr2= 133, 134,
&end
#
# 10 ILE QG2 103 LYS QB 3.82 (#peak 94)
&rst
ixpk= 94, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 129, 130, 131,
igr2= 367, 368,
&end
#
# 10 ILE QG1 11 CYSS H 4.64 (#peak 12)
&rst
ixpk= 12, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 133, 134,
&end
#
# 10 ILE QG1 103 LYS HA 5.34 (#peak 525)
&rst
ixpk= 525, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 133, 134,
&end
#
# 10 ILE QG1 104 GLN H 5.29 (#peak 472)
&rst
ixpk= 472, nxpk= 0, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 133, 134,
&end
#
# 10 ILE QD1 103 LYS QB 4.05 (#peak 98)
&rst
ixpk= 98, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 136, 137, 138,
igr2= 367, 368,
&end
#
# 11 CYSS HA 12 SER QB 5.33 (#peak 1983)
&rst
ixpk= 1983, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 156, 157,
&end
#
# 11 CYSS HA 15 GLN QG 5.18 (#peak 1801)
&rst
ixpk= 1801, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 210, 211,
&end
#
# 11 CYSS QB 12 SER H 3.32 (#peak 1618)
&rst
ixpk= 1618, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 146, 147,
&end
#
# 11 CYSS QB 12 SER QB 5.18 (#peak 546)
&rst
ixpk= 546, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 146, 147,
igr2= 156, 157,
&end
#
# 11 CYSS QB 16 LEU HB2 5.34 (#peak 85)
&rst
ixpk= 85, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 146, 147,
&end
#
# 11 CYSS QB 16 LEU QQD 4.90 (#peak 154)
&rst
ixpk= 154, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 146, 147,
&end
#
# 12 SER H 12 SER QB 3.58 (#peak 1131)
&rst
ixpk= 1131, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 156, 157,
&end
#
# 12 SER H 15 GLN QB 3.62 (#peak 1626)
&rst
ixpk= 1626, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 207, 208,
&end
#
# 12 SER H 15 GLN QG 3.52 (#peak 1624)
&rst
ixpk= 1624, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 210, 211,
&end
#
# 12 SER H 16 LEU QQD 4.85 (#peak 1732)
&rst
ixpk= 1732, nxpk= 0, iat= 152, 226, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 12 SER HA 13 LEU QB 5.12 (#peak 533)
&rst
ixpk= 533, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 167, 168,
&end
#
# 12 SER HA 103 LYS QG 5.34 (#peak 533)
&rst
ixpk= 533, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 370, 371,
&end
#
# 12 SER QB 14 TYR H 4.12 (#peak 1559)
&rst
ixpk= 1559, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 156, 157,
&end
#
# 12 SER QB 14 TYR QB 4.45 (#peak 1630)
&rst
ixpk= 1630, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 156, 157,
igr2= 186, 187,
&end
#
# 12 SER QB 14 TYR QD 5.34 (#peak 1529)
&rst
ixpk= 1529, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 156, 157,
igr2= 190, 199,
&end
#
# 12 SER QB 15 GLN H 4.42 (#peak 1559)
&rst
ixpk= 1559, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 156, 157,
&end
#
# 12 SER QB 103 LYS QG 4.11 (#peak 756)
&rst
ixpk= 756, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 156, 157,
igr2= 370, 371,
&end
#
# 12 SER QB 103 LYS QE 5.16 (#peak 1630)
&rst
ixpk= 1630, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 156, 157,
igr2= 376, 377,
&end
#
# 13 LEU H 13 LEU QB 3.04 (#peak 1590)
&rst
ixpk= 1590, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 167, 168,
&end
#
# 13 LEU H 13 LEU QQD 3.97 (#peak 1591)
&rst
ixpk= 1591, nxpk= 0, iat= 163, 169, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 13 LEU H 118 VAL QQG 5.44 (#peak 1882)
&rst
ixpk= 1882, nxpk= 0, iat= 163, 605, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 13 LEU HA 13 LEU QQD 3.60 (#peak 665)
&rst
ixpk= 665, nxpk= 0, iat= 165, 169, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 13 LEU HA 16 LEU QQD 4.38 (#peak 664)
&rst
ixpk= 664, nxpk= 0, iat= 165, 226, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 13 LEU HA 118 VAL QQG 3.72 (#peak 893)
&rst
ixpk= 893, nxpk= 0, iat= 165, 605, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 13 LEU QB 14 TYR H 4.03 (#peak 1570)
&rst
ixpk= 1570, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 167, 168,
&end
#
# 13 LEU QB 101 PHE QD 5.28 (#peak 760)
&rst
ixpk= 760, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 167, 168,
igr2= 335, 343,
&end
#
# 13 LEU QB 118 VAL QQG 4.13 (#peak 748)
&rst
ixpk= 748, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 167, 168,
&end
#
# 13 LEU QQD 101 PHE QB 4.49 (#peak 551)
&rst
ixpk= 551, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 331, 332,
&end
#
# 13 LEU QQD 101 PHE HZ 4.56 (#peak 570)
&rst
ixpk= 570, nxpk= 0, iat= 169, 339, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 13 LEU QQD 118 VAL QQG 3.18 (#peak 1104) #2.0
&rst
ixpk= 1104, nxpk= 0, iat= 169, 605, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 14 TYR H 14 TYR QB 3.11 (#peak 1568)
&rst
ixpk= 1568, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 186, 187,
&end
#
# 14 TYR QB 15 GLN H 3.49 (#peak 1568)
&rst
ixpk= 1568, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 186, 187,
&end
#
# 14 TYR QB 15 GLN QG 4.01 (#peak 315)
&rst
ixpk= 315, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 186, 187,
igr2= 210, 211,
&end
#
# 15 GLN H 15 GLN QB 3.29 (#peak 294)
&rst
ixpk= 294, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 207, 208,
&end
#
# 15 GLN H 15 GLN QG 2.81 (#peak 293)
&rst
ixpk= 293, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2= 210, 211,
&end
#
# 15 GLN H 16 LEU QQD 5.44 (#peak 1572)
&rst
ixpk= 1572, nxpk= 0, iat= 203, 226, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 15 GLN HA 18 ASN QB 4.29 (#peak 305)
&rst
ixpk= 305, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 258, 259,
&end
#
# 15 GLN QB 15 GLN QE2 4.32 (#peak 330)
&rst
ixpk= 330, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 207, 208,
igr2= 215, 216,
&end
#
# 15 GLN QG 16 LEU H 5.10 (#peak 1330)
&rst
ixpk= 1330, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 210, 211,
&end
#
# 16 LEU H 16 LEU QQD 4.20 (#peak 1335)
&rst
ixpk= 1335, nxpk= 0, iat= 220, 226, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 16 LEU HA 16 LEU QQD 3.29 (#peak 1348)
&rst
ixpk= 1348, nxpk= 0, iat= 222, 226, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 16 LEU HA 19 TYR QB 3.82 (#peak 73)
&rst
ixpk= 73, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 272, 273,
&end
#
# 16 LEU HA 115 LEU QQD 3.82 (#peak 915) #1.0
&rst
ixpk= 915, nxpk= 0, iat= 222, 549, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 16 LEU HB2 16 LEU QQD 2.73 (#peak 386)
&rst
ixpk= 386, nxpk= 0, iat= 224, 226, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end
#
# 16 LEU HB2 118 VAL QQG 3.67 (#peak 1107)
&rst
ixpk= 1107, nxpk= 0, iat= 224, 605, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 16 LEU HB3 16 LEU QQD 2.75 (#peak 823)
&rst
ixpk= 823, nxpk= 0, iat= 225, 226, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 16 LEU HB3 115 LEU QQD 5.29 (#peak 907) #1.0
&rst
ixpk= 907, nxpk= 0, iat= 225, 549, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, &end
#
# 16 LEU HB3 118 VAL QQG 4.24 (#peak 1110)
&rst
ixpk= 1110, nxpk= 0, iat= 225, 605, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 16 LEU HG 118 VAL QQG 3.80 (#peak 1108) #0.5
&rst
ixpk= 1108, nxpk= 0, iat= 227, 605, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 16 LEU QQD 19 TYR QE 3.64 (#peak 1020) #0.5
&rst
ixpk= 1020, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 278, 283,
&end
#
# 16 LEU QQD 114 ALA H 5.44 (#peak 1887)
&rst
ixpk= 1887, nxpk= 0, iat= 226, 533, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 16 LEU QQD 114 ALA QB 3.48 (#peak 1603)
&rst
ixpk= 1603, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 537, 538, 539,
&end
#
# 16 LEU QQD 115 LEU H 3.77 (#peak 1706)
&rst
ixpk= 1706, nxpk= 0, iat= 226, 543, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 16 LEU QQD 118 VAL QQG 2.74 (#peak 1105) #2.0
&rst
ixpk= 1105, nxpk= 0, iat= 226, 605, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 17 GLU HA 17 GLU QG 3.46 (#peak 1839)
&rst
ixpk= 1839, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 246, 247,
&end
#
# 17 GLU HA 20 CYSS QB 4.36 (#peak 1981)
&rst
ixpk= 1981, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 293, 294,
&end
#
# 17 GLU HA 118 VAL QQG 3.51 (#peak 1125) #1.0
&rst
ixpk= 1125, nxpk= 0, iat= 241, 605, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 17 GLU QB 18 ASN H 4.21 (#peak 1218)
&rst
ixpk= 1218, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 243, 244,
&end
#
# 17 GLU QB 118 VAL QQG 3.24 (#peak 1098) #1.0
&rst
ixpk= 1098, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 243, 244,
&end
#
# 17 GLU QG 118 VAL QQG 3.67 (#peak 1116) #0.5
&rst
ixpk= 1116, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 246, 247,
&end
#
# 18 ASN H 18 ASN QB 3.07 (#peak 1214)
&rst
ixpk= 1214, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 258, 259,
&end
#
# 18 ASN H 18 ASN QD2 4.60 (#peak 1221)
&rst
ixpk= 1221, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 263, 264,
&end
#
# 18 ASN H 118 VAL QQG 5.44 (#peak 1771) #1.0
&rst
ixpk= 1771, nxpk= 0, iat= 254, 605, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, &end
#
# 18 ASN QB 19 TYR H 3.60 (#peak 1173)
&rst
ixpk= 1173, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 258, 259,
&end
#
# 18 ASN QD2 19 TYR H 5.34 (#peak 1375)
&rst
ixpk= 1375, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 263, 264,
&end
#
# 19 TYR H 19 TYR QB 3.19 (#peak 1162)
&rst
ixpk= 1162, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 272, 273,
&end
#
# 19 TYR H 20 CYSS QB 4.61 (#peak 1171)
&rst
ixpk= 1171, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 293, 294,
&end
#
# 19 TYR H 115 LEU QQD 4.35 (#peak 1167) #1.0
&rst
ixpk= 1167, nxpk= 0, iat= 268, 549, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 19 TYR H 118 VAL QQG 5.37 (#peak 1761) #1.0
&rst
ixpk= 1761, nxpk= 0, iat= 268, 605, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, &end
#
# 19 TYR HA 115 LEU QQD 4.88 (#peak 919) #1.0
&rst
ixpk= 919, nxpk= 0, iat= 270, 549, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 19 TYR QB 115 LEU QQD 3.40 (#peak 909)
&rst
ixpk= 909, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 272, 273,
&end
#
# 19 TYR HB2 115 LEU QD1 5.63 (#peak 909)
&rst
ixpk= 909, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2= 552, 553, 554,
&end
#
# 19 TYR QB 125 PHE H 3.73 (#peak 1487)
&rst
ixpk= 1487, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 272, 273,
&end
#
# 19 TYR QD 115 LEU QB 4.42 (#peak 1196)
&rst
ixpk= 1196, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 276, 285,
igr2= 547, 548,
&end
#
# 19 TYR QD 115 LEU QQD 3.49 (#peak 1206)
&rst
ixpk= 1206, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 276, 285,
&end
#
# 19 TYR QD 125 PHE QB 5.08 (#peak 1508)
&rst
ixpk= 1508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 276, 285,
igr2= 705, 706,
&end
#
# 19 TYR QE 115 LEU QQD 3.42 (#peak 1022) #0.5
&rst
ixpk= 1022, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 278, 283,
&end
#
# 20 CYSS H 20 CYSS QB 3.13 (#peak 1317)
&rst
ixpk= 1317, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 293, 294,
&end
#
# 20 CYSS H 115 LEU QQD 4.79 (#peak 1318) #0.5
&rst
ixpk= 1318, nxpk= 0, iat= 289, 549, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 20 CYSS H 118 VAL QQG 5.44 (#peak 1896) #1.0
&rst
ixpk= 1896, nxpk= 0, iat= 289, 605, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, &end
#
# 20 CYSS HA 21 ASN QB 5.34 (#peak 1826)
&rst
ixpk= 1826, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 303, 304,
&end
#
# 20 CYSS HA 115 LEU QQD 4.67 (#peak 918) #1.0
&rst
ixpk= 918, nxpk= 0, iat= 291, 549, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 20 CYSS QB 21 ASN H 3.69 (#peak 1247)
&rst
ixpk= 1247, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 293, 294,
&end
#
# 20 CYSS QB 22 SER H 5.34 (#peak 1295)
&rst
ixpk= 1295, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 293, 294,
&end
#
# 20 CYSS QB 124 PHE H 5.34 (#peak 1762)
&rst
ixpk= 1762, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 293, 294,
&end
#
# 21 ASN H 21 ASN QB 3.19 (#peak 1248)
&rst
ixpk= 1248, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 303, 304,
&end
#
# 21 ASN H 21 ASN QD2 4.84 (#peak 1254)
&rst
ixpk= 1254, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 308, 309,
&end
#
# 21 ASN H 124 PHE QB 4.14 (#peak 1488)
&rst
ixpk= 1488, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 685, 686,
&end
#
# 21 ASN HA 21 ASN QD2 4.40 (#peak 1270)
&rst
ixpk= 1270, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 308, 309,
&end
#
# 21 ASN QB 21 ASN QD2 3.17 (#peak 1269)
&rst
ixpk= 1269, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 303, 304,
igr2= 308, 309,
&end
#
# 21 ASN QB 124 PHE HA 3.70 (#peak 1824)
&rst
ixpk= 1824, nxpk= 0, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 303, 304,
&end
#
# 21 ASN QD2 123 GLY HA2 5.08 (#peak 1278)
&rst
ixpk= 1278, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 308, 309,
&end
#
# 21 ASN QD2 123 GLY HA3 5.27 (#peak 1907)
&rst
ixpk= 1907, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 308, 309,
&end
#
# 21 ASN QD2 124 PHE H 4.89 (#peak 1280)
&rst
ixpk= 1280, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 308, 309,
&end
#
# 21 ASN QD2 124 PHE HA 4.64 (#peak 1903)
&rst
ixpk= 1903, nxpk= 0, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 308, 309,
&end
#
# 22 SER H 22 SER QB 3.51 (#peak 1294)
&rst
ixpk= 1294, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 317, 318,
&end
#
# 101 PHE HA 102 VAL QQG 4.57 (#peak 547)
&rst
ixpk= 547, nxpk= 0, iat= 329, 350, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 101 PHE QB 102 VAL H 4.18 (#peak 541)
&rst
ixpk= 541, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 331, 332,
&end
#
# 102 VAL H 102 VAL QQG 3.24 (#peak 233)
&rst
ixpk= 233, nxpk= 0, iat= 347, 350, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 102 VAL QQG 103 LYS H 3.76 (#peak 518)
&rst
ixpk= 518, nxpk= 0, iat= 350, 363, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 102 VAL QQG 104 GLN QE2 4.54 (#peak 492)
&rst
ixpk= 492, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 397, 398,
&end
#
# 103 LYS H 103 LYS QG 3.31 (#peak 509)
&rst
ixpk= 509, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 370, 371,
&end
#
# 103 LYS HA 103 LYS QG 3.65 (#peak 522)
&rst
ixpk= 522, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 370, 371,
&end
#
# 103 LYS QB 104 GLN H 3.31 (#peak 470)
&rst
ixpk= 470, nxpk= 0, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 367, 368,
&end
#
# 103 LYS QG 104 GLN H 4.51 (#peak 881)
&rst
ixpk= 881, nxpk= 0, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 370, 371,
&end
#
# 104 GLN H 104 GLN QG 4.68 (#peak 468)
&rst
ixpk= 468, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 392, 393,
&end
#
# 104 GLN QB 104 GLN QE2 4.22 (#peak 486)
&rst
ixpk= 486, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 389, 390,
igr2= 397, 398,
&end
#
# 104 GLN QB 105 HIS H 3.78 (#peak 412)
&rst
ixpk= 412, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 389, 390,
&end
#
# 104 GLN QB 106 LEU H 5.34 (#peak 1875)
&rst
ixpk= 1875, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 389, 390,
&end
#
# 104 GLN QB 106 LEU QQD 3.95 (#peak 859)
&rst
ixpk= 859, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 389, 390,
&end
#
# 104 GLN QG 105 HIS H 4.75 (#peak 419)
&rst
ixpk= 419, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 392, 393,
&end
#
# 104 GLN QG 106 LEU QQD 4.85 (#peak 1927)
&rst
ixpk= 1927, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 392, 393,
&end
#
# 104 GLN QE2 106 LEU QQD 4.12 (#peak 489)
&rst
ixpk= 489, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 397, 398,
&end
#
# 104 GLN QE2 114 ALA QB 5.01 (#peak 566)
&rst
ixpk= 566, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 397, 398,
igr2= 537, 538, 539,
&end
#
# 105 HIS H 105 HIS QB 3.16 (#peak 410)
&rst
ixpk= 410, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 406, 407,
&end
#
# 105 HIS HA 106 LEU QQD 4.39 (#peak 407)
&rst
ixpk= 407, nxpk= 0, iat= 404, 425, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 105 HIS QB 106 LEU H 4.03 (#peak 344)
&rst
ixpk= 344, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 406, 407,
&end
#
# 105 HIS QB 106 LEU QQD 5.28 (#peak 1853)
&rst
ixpk= 1853, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 406, 407,
&end
#
# 105 HIS HD2 106 LEU QQD 5.44 (#peak 490)
&rst
ixpk= 490, nxpk= 0, iat= 415, 425, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 106 LEU H 106 LEU QQD 3.96 (#peak 355)
&rst
ixpk= 355, nxpk= 0, iat= 419, 425, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 106 LEU H 111 LEU QB 5.34 (#peak 642)
&rst
ixpk= 642, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 487, 488,
&end
#
# 106 LEU HA 106 LEU QQD 3.08 (#peak 1834)
&rst
ixpk= 1834, nxpk= 0, iat= 421, 425, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 106 LEU HB2 106 LEU QQD 2.61 (#peak 371)
&rst
ixpk= 371, nxpk= 0, iat= 423, 425, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, &end
#
# 106 LEU HB2 111 LEU QB 3.80 (#peak 367)
&rst
ixpk= 367, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 487, 488,
&end
#
# 106 LEU HB2 111 LEU QQD 3.67 (#peak 373)
&rst
ixpk= 373, nxpk= 0, iat= 423, 489, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 106 LEU HB3 106 LEU QQD 3.01 (#peak 287) #1.0
&rst
ixpk= 287, nxpk= 0, iat= 424, 425, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 106 LEU QQD 107 CYSS H 4.59 (#peak 580)
&rst
ixpk= 580, nxpk= 0, iat= 425, 438, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 106 LEU QQD 110 HIS HB2 4.22 (#peak 683)
&rst
ixpk= 683, nxpk= 0, iat= 425, 470, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 106 LEU QQD 110 HIS HB3 3.13 (#peak 1925)
&rst
ixpk= 1925, nxpk= 0, iat= 425, 471, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 106 LEU QQD 110 HIS HD2 5.34 (#peak 696) #1.0
&rst
ixpk= 696, nxpk= 0, iat= 425, 479, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, &end
#
# 106 LEU QQD 111 LEU H 4.93 (#peak 812)
&rst
ixpk= 812, nxpk= 0, iat= 425, 483, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 106 LEU QQD 111 LEU HA 3.94 (#peak 406)
&rst
ixpk= 406, nxpk= 0, iat= 425, 485, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 106 LEU QQD 114 ALA H 4.75 (#peak 716) #0.5
&rst
ixpk= 716, nxpk= 0, iat= 425, 533, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 106 LEU QQD 114 ALA QB 3.00 (#peak 746) #1.0
&rst
ixpk= 746, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 537, 538, 539,
&end
#
# 107 CYSS H 107 CYSS QB 3.18 (#peak 584)
&rst
ixpk= 584, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 442, 443,
&end
#
# 107 CYSS H 111 LEU QQD 5.25 (#peak 580)
&rst
ixpk= 580, nxpk= 0, iat= 438, 489, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 107 CYSS HA 111 LEU QB 4.72 (#peak 604)
&rst
ixpk= 604, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 487, 488,
&end
#
# 107 CYSS HA 111 LEU QQD 5.12 (#peak 1803)
&rst
ixpk= 1803, nxpk= 0, iat= 440, 489, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 107 CYSS QB 108 GLY H 4.04 (#peak 641)
&rst
ixpk= 641, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 442, 443,
&end
#
# 107 CYSS QB 110 HIS HB2 4.98 (#peak 617)
&rst
ixpk= 617, nxpk= 0, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 442, 443,
&end
#
# 108 GLY H 111 LEU QB 4.20 (#peak 643)
&rst
ixpk= 643, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 487, 488,
&end
#
# 108 GLY H 111 LEU QQD 4.16 (#peak 644)
&rst
ixpk= 644, nxpk= 0, iat= 448, 489, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 108 GLY QA 109 SER H 2.80 (#peak 638)
&rst
ixpk= 638, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 450, 451,
&end
#
# 108 GLY QA 110 HIS H 4.73 (#peak 1686)
&rst
ixpk= 1686, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 450, 451,
&end
#
# 108 GLY QA 111 LEU H 5.26 (#peak 1450)
&rst
ixpk= 1450, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 450, 451,
&end
#
# 109 SER HA 112 VAL QQG 3.51 (#peak 1961)
&rst
ixpk= 1961, nxpk= 0, iat= 457, 505, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 110 HIS HA 113 GLU QB 3.44 (#peak 680)
&rst
ixpk= 680, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 522, 523,
&end
#
# 111 LEU H 111 LEU QQD 4.13 (#peak 800)
&rst
ixpk= 800, nxpk= 0, iat= 483, 489, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 111 LEU H 112 VAL QQG 4.40 (#peak 809) #0.5
&rst
ixpk= 809, nxpk= 0, iat= 483, 505, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 111 LEU HA 111 LEU QQD 2.78 (#peak 837)
&rst
ixpk= 837, nxpk= 0, iat= 485, 489, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 111 LEU QB 111 LEU QQD 2.55 (#peak 823)
&rst
ixpk= 823, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,
igr1= 487, 488,
&end
#
# 111 LEU QB 112 VAL H 3.66 (#peak 1714)
&rst
ixpk= 1714, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 487, 488,
&end
#
# 111 LEU QB 112 VAL HA 4.36 (#peak 1976)
&rst
ixpk= 1976, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 487, 488,
&end
#
# 111 LEU QB 114 ALA H 5.34 (#peak 1765)
&rst
ixpk= 1765, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 487, 488,
&end
#
# 111 LEU QB 115 LEU QQD 5.28 (#peak 907) #1.0
&rst
ixpk= 907, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 487, 488,
&end
#
# 111 LEU QQD 112 VAL H 4.42 (#peak 773)
&rst
ixpk= 773, nxpk= 0, iat= 489, 502, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 111 LEU QQD 112 VAL HA 4.12 (#peak 1967) #2.0
&rst
ixpk= 1967, nxpk= 0, iat= 489, 504, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end
#
# 111 LEU QQD 114 ALA H 5.44 (#peak 1887)
&rst
ixpk= 1887, nxpk= 0, iat= 489, 533, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 112 VAL H 112 VAL QQG 3.06 (#peak 770)
&rst
ixpk= 770, nxpk= 0, iat= 502, 505, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 112 VAL H 115 LEU QQD 5.44 (#peak 1203) #1.0
&rst
ixpk= 1203, nxpk= 0, iat= 502, 549, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, &end
#
# 112 VAL HA 115 LEU QQD 3.41 (#peak 1971)
&rst
ixpk= 1971, nxpk= 0, iat= 504, 549, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 112 VAL QQG 114 ALA H 5.44 (#peak 728)
&rst
ixpk= 728, nxpk= 0, iat= 505, 533, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 112 VAL QQG 116 TYR H 4.14 (#peak 927) #0.5
&rst
ixpk= 927, nxpk= 0, iat= 505, 562, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 112 VAL QQG 116 TYR QB 4.01 (#peak 395)
&rst
ixpk= 395, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 566, 567,
&end
#
# 112 VAL QQG 116 TYR QD 3.66 (#peak 973) #1.0
&rst
ixpk= 973, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 570, 579,
&end
#
# 112 VAL QQG 124 PHE QE 3.71 (#peak 1403)
&rst
ixpk= 1403, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 691, 695,
&end
#
# 113 GLU H 113 GLU QB 2.89 (#peak 843)
&rst
ixpk= 843, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 522, 523,
&end
#
# 113 GLU H 115 LEU QQD 5.44 (#peak 857) #2.0
&rst
ixpk= 857, nxpk= 0, iat= 518, 549, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94, &end
#
# 113 GLU HA 113 GLU QG 3.43 (#peak 742)
&rst
ixpk= 742, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 525, 526,
&end
#
# 113 GLU QB 114 ALA H 3.38 (#peak 723)
&rst
ixpk= 723, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 522, 523,
&end
#
# 113 GLU QG 114 ALA H 4.89 (#peak 711)
&rst
ixpk= 711, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 525, 526,
&end
#
# 113 GLU QG 114 ALA QB 5.34 (#peak 752)
&rst
ixpk= 752, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 525, 526,
igr2= 537, 538, 539,
&end
#
# 113 GLU QG 116 TYR QB 5.03 (#peak 956)
&rst
ixpk= 956, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 525, 526,
igr2= 566, 567,
&end
#
# 114 ALA H 115 LEU QQD 5.44 (#peak 1891) #0.5
&rst
ixpk= 1891, nxpk= 0, iat= 533, 549, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 114 ALA HA 118 VAL QQG 4.17 (#peak 1121) #1.0
&rst
ixpk= 1121, nxpk= 0, iat= 535, 605, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 114 ALA QB 118 VAL QQG 4.50 (#peak 748)
&rst
ixpk= 748, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 537, 538, 539,
&end
#
# 115 LEU H 115 LEU QB 3.28 (#peak 871)
&rst
ixpk= 871, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 547, 548,
&end
#
# 115 LEU H 115 LEU QQD 3.67 (#peak 883)
&rst
ixpk= 883, nxpk= 0, iat= 543, 549, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 115 LEU H 118 VAL QQG 4.87 (#peak 1705) #0.5
&rst
ixpk= 1705, nxpk= 0, iat= 543, 605, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 115 LEU HA 115 LEU QQD 3.48 (#peak 894)
&rst
ixpk= 894, nxpk= 0, iat= 545, 549, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 115 LEU HA 118 VAL QQG 3.44 (#peak 892)
&rst
ixpk= 892, nxpk= 0, iat= 545, 605, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 115 LEU QB 115 LEU QQD 2.73 (#peak 379)
&rst
ixpk= 379, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr1= 547, 548,
&end
#
# 115 LEU QB 116 TYR HA 5.34 (#peak 1843)
&rst
ixpk= 1843, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 547, 548,
&end
#
# 115 LEU QB 116 TYR QB 5.34 (#peak 85)
&rst
ixpk= 85, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 547, 548,
igr2= 566, 567,
&end
#
# 115 LEU QB 119 CYSS H 5.34 (#peak 1726)
&rst
ixpk= 1726, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 547, 548,
&end
#
# 115 LEU QB 124 PHE QD 3.90 (#peak 1459)
&rst
ixpk= 1459, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 547, 548,
igr2= 689, 697,
&end
#
# 115 LEU QB 124 PHE QE 4.39 (#peak 1398)
&rst
ixpk= 1398, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 547, 548,
igr2= 691, 695,
&end
#
# 115 LEU QQD 116 TYR H 4.65 (#peak 937)
&rst
ixpk= 937, nxpk= 0, iat= 549, 562, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 115 LEU QQD 118 VAL H 5.04 (#peak 1740) #1.0
&rst
ixpk= 1740, nxpk= 0, iat= 549, 602, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 115 LEU QQD 119 CYSS H 4.48 (#peak 702) #1.0
&rst
ixpk= 702, nxpk= 0, iat= 549, 618, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 115 LEU QQD 124 PHE QB 3.76 (#peak 909)
&rst
ixpk= 909, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 685, 686,
&end
#
# 115 LEU QQD 124 PHE QD 4.27 (#peak 1462)
&rst
ixpk= 1462, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 689, 697,
&end
#
# 115 LEU QQD 124 PHE QE 4.46 (#peak 1405)
&rst
ixpk= 1405, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 691, 695,
&end
#
# 115 LEU QQD 125 PHE H 5.44 (#peak 857) #2.0
&rst
ixpk= 857, nxpk= 0, iat= 549, 701, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94, &end
#
# 115 LEU QQD 126 TYR QD 5.44 (#peak 1535)
&rst
ixpk= 1535, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 729, 738,
&end
#
# 116 TYR H 118 VAL QQG 5.30 (#peak 1744) #0.5
&rst
ixpk= 1744, nxpk= 0, iat= 562, 605, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 116 TYR HA 119 CYSS QB 3.69 (#peak 624)
&rst
ixpk= 624, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 622, 623,
&end
#
# 116 TYR QE 121 GLU QG 4.72 (#peak 1003)
&rst
ixpk= 1003, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 572, 577,
igr2= 642, 643,
&end
#
# 117 LEU H 117 LEU QQD 4.26 (#peak 1041)
&rst
ixpk= 1041, nxpk= 0, iat= 583, 589, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 117 LEU H 118 VAL QQG 4.37 (#peak 1748)
&rst
ixpk= 1748, nxpk= 0, iat= 583, 605, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 117 LEU HA 117 LEU QQD 3.54 (#peak 399)
&rst
ixpk= 399, nxpk= 0, iat= 585, 589, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 117 LEU HB3 117 LEU QQD 2.72 (#peak 1857)
&rst
ixpk= 1857, nxpk= 0, iat= 588, 589, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 117 LEU HG 118 VAL QQG 4.85 (#peak 1110)
&rst
ixpk= 1110, nxpk= 0, iat= 590, 605, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 117 LEU QQD 118 VAL H 5.17 (#peak 1635)
&rst
ixpk= 1635, nxpk= 0, iat= 589, 602, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 118 VAL H 118 VAL QQG 3.13 (#peak 1084)
&rst
ixpk= 1084, nxpk= 0, iat= 602, 605, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 118 VAL H 119 CYSS QB 4.92 (#peak 1066)
&rst
ixpk= 1066, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 622, 623,
&end
#
# 118 VAL QQG 119 CYSS H 3.68 (#peak 1138)
&rst
ixpk= 1138, nxpk= 0, iat= 605, 618, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 118 VAL QQG 119 CYSS HA 4.28 (#peak 1127) #1.0
&rst
ixpk= 1127, nxpk= 0, iat= 605, 620, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 118 VAL QQG 119 CYSS QB 4.93 (#peak 616)
&rst
ixpk= 616, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 622, 623,
&end
#
# 118 VAL QQG 120 GLY H 4.74 (#peak 30)
&rst
ixpk= 30, nxpk= 0, iat= 605, 628, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 119 CYSS H 119 CYSS QB 3.19 (#peak 1145)
&rst
ixpk= 1145, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 622, 623,
&end
#
# 119 CYSS HA 122 ARG QB 4.18 (#peak 1808)
&rst
ixpk= 1808, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 654, 655,
&end
#
# 119 CYSS QB 120 GLY H 3.31 (#peak 1523)
&rst
ixpk= 1523, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 622, 623,
&end
#
# 119 CYSS QB 120 GLY QA 4.48 (#peak 618)
&rst
ixpk= 618, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 622, 623,
igr2= 630, 631,
&end
#
# 119 CYSS QB 121 GLU H 5.34 (#peak 1658)
&rst
ixpk= 1658, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 622, 623,
&end
#
# 119 CYSS QB 122 ARG H 4.34 (#peak 1357)
&rst
ixpk= 1357, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 622, 623,
&end
#
# 119 CYSS QB 122 ARG QB 3.53 (#peak 1155)
&rst
ixpk= 1155, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 622, 623,
igr2= 654, 655,
&end
#
# 119 CYSS QB 123 GLY H 3.82 (#peak 1519)
&rst
ixpk= 1519, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 622, 623,
&end
#
# 119 CYSS QB 123 GLY HA2 4.24 (#peak 1301)
&rst
ixpk= 1301, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 622, 623,
&end
#
# 119 CYSS QB 124 PHE H 5.34 (#peak 1762)
&rst
ixpk= 1762, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 622, 623,
&end
#
# 119 CYSS QB 124 PHE QD 3.62 (#peak 1451)
&rst
ixpk= 1451, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 622, 623,
igr2= 689, 697,
&end
#
# 121 GLU H 121 GLU QB 3.08 (#peak 1477)
&rst
ixpk= 1477, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 639, 640,
&end
#
# 121 GLU H 121 GLU QG 3.94 (#peak 1475)
&rst
ixpk= 1475, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 642, 643,
&end
#
# 121 GLU HA 121 GLU QG 3.59 (#peak 242)
&rst
ixpk= 242, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 642, 643,
&end
#
# 121 GLU QB 122 ARG H 3.93 (#peak 1368)
&rst
ixpk= 1368, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 639, 640,
&end
#
# 122 ARG H 122 ARG QB 3.01 (#peak 1361)
&rst
ixpk= 1361, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 654, 655,
&end
#
# 122 ARG QB 122 ARG QD 3.17 (#peak 553)
&rst
ixpk= 553, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 654, 655,
igr2= 660, 661,
&end
#
# 122 ARG QB 123 GLY H 3.74 (#peak 1433)
&rst
ixpk= 1433, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 654, 655,
&end
#
# 124 PHE H 124 PHE QB 3.56 (#peak 1431)
&rst
ixpk= 1431, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 685, 686,
&end
#
# 124 PHE QB 125 PHE H 3.46 (#peak 1489)
&rst
ixpk= 1489, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 685, 686,
&end
#
# 124 PHE QE 126 TYR QB 5.26 (#peak 1469)
&rst
ixpk= 1469, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 691, 695,
igr2= 725, 726,
&end
#
# 125 PHE H 125 PHE QB 3.26 (#peak 1489)
&rst
ixpk= 1489, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 705, 706,
&end
#
# 125 PHE QB 126 TYR H 4.08 (#peak 1522)
&rst
ixpk= 1522, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 705, 706,
&end
#
# 125 PHE QB 127 THR H 4.71 (#peak 1550)
&rst
ixpk= 1550, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 705, 706,
&end
#
# 126 TYR H 126 TYR QB 3.20 (#peak 1520)
&rst
ixpk= 1520, nxpk= 0, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 725, 726,
&end
#
# 126 TYR QB 127 THR H 4.18 (#peak 1546)
&rst
ixpk= 1546, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 725, 726,
&end
#
# 128 PRO QB 129 LYS HA 5.17 (#peak 1667)
&rst
ixpk= 1667, nxpk= 0, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 763, 764,
&end
#
# 129 LYS H 129 LYS QB 3.58 (#peak 1653)
&rst
ixpk= 1653, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 774, 775,
&end
#
# 131 ARG H 131 ARG QB 3.16 (#peak 469)
&rst
ixpk= 469, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 810, 811,
&end
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