NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
639035 |
6but   |
27095 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: final.rst
#
# 16 PHE HB3 35 VAL QG2 5.96 (#peak 4 #SUP 0.76 #QF 0.47)
&rst
ixpk= 4, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
rk2=0.0, rk3=35.0, ir6=1, ialtd=0,
igr2= 524, 525, 526,
/
#
# 164 ILE QG2 168 TYR HB3 5.39 (#peak 5 #SUP 0.99 #QF 0.99)
&rst
ixpk= 5, nxpk= 0, iat= -1,2570, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2501,2502,2503,
/
#
# 164 ILE QG2 168 TYR HB2 4.96 (#peak 6 #SUP 0.99 #QF 0.99)
&rst
ixpk= 6, nxpk= 0, iat= -1,2569, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=2501,2502,2503,
/
#
# 116 LEU QD2 168 TYR HB2 5.03 (#peak 8 #SUP 0.99 #QF 0.99)
&rst
ixpk= 8, nxpk= 0, iat= -1,2569, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1773,1774,1775,
/
#
# 99 TYR HA 138 TYR QE 3.55 (#peak 11 #SUP 0.99 #QF 0.99)
&rst
ixpk= 11, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=2089,2094,
/
#
# 122 ASP HA 125 ILE QD1 4.30 (#peak 15 #SUP 0.99 #QF 0.99)
&rst
ixpk= 15, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1908,1909,1910,
/
#
# 125 ILE QD1 136 VAL HA 5.70 (#peak 16 #SUP 0.82 #QF 0.82)
&rst
ixpk= 16, nxpk= 0, iat= -1,2051, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1908,1909,1910,
/
#
# 103 ALA HA 125 ILE QD1 4.71 (#peak 17 #SUP 0.95 #QF 0.95)
&rst
ixpk= 17, nxpk= 0, iat=1553, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1908,1909,1910,
/
#
# 92 PHE QE 164 ILE QD1 3.22 (#peak 18 #SUP 1.00)
&rst
ixpk= 18, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1406,1410,
igr2=2508,2509,2510,
/
#
# 89 PHE QE 164 ILE QD1 3.55 (#peak 19 #SUP 1.00)
&rst
ixpk= 19, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1346,1350,
igr2=2508,2509,2510,
/
#
# 89 PHE QD 164 ILE QD1 3.51 (#peak 20 #SUP 0.98 #QF 0.98)
&rst
ixpk= 20, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1344,1352,
igr2=2508,2509,2510,
/
#
# 92 PHE QD 164 ILE QD1 3.46 (#peak 21 #SUP 1.00)
&rst
ixpk= 21, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1404,1412,
igr2=2508,2509,2510,
/
#
# 92 PHE HZ 164 ILE QD1 4.22 (#peak 22 #SUP 1.00)
&rst
ixpk= 22, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=2508,2509,2510,
/
#
# 92 PHE HA 164 ILE QD1 6.40 (#peak 23 #SUP 1.00)
&rst
ixpk= 23, nxpk= 0, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr2=2508,2509,2510,
/
#
# 162 ILE HA 164 ILE QD1 6.50 (#peak 24 #SUP 0.99 #QF 0.97)
&rst
ixpk= 24, nxpk= 0, iat=2459, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=2508,2509,2510,
/
#
# 160 SER HB2 164 ILE QD1 4.61 (#peak 26 #SUP 0.76 #QF 0.76)
&rst
ixpk= 26, nxpk= 0, iat=2440, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=2508,2509,2510,
/
#
# 89 PHE HA 164 ILE QD1 3.25 (#peak 27 #SUP 1.00)
&rst
ixpk= 27, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=2508,2509,2510,
/
#
# 85 ILE HA 164 ILE QD1 4.38 (#peak 28 #SUP 0.96 #QF 0.96)
&rst
ixpk= 28, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=2508,2509,2510,
/
#
# 138 TYR QE 164 ILE QD1 6.50 (#peak 31 #SUP 0.99 #QF 0.99)
&rst
ixpk= 31, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=2089,2094,
igr2=2508,2509,2510,
/
#
# 138 TYR QD 164 ILE QD1 5.70 (#peak 32 #SUP 0.95 #QF 0.95)
&rst
ixpk= 32, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr1=2087,2096,
igr2=2508,2509,2510,
/
#
# 92 PHE HB2 164 ILE QD1 5.65 (#peak 33 #SUP 0.99 #QF 0.99)
&rst
ixpk= 33, nxpk= 0, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=2508,2509,2510,
/
#
# 89 PHE HB3 164 ILE QD1 4.85 (#peak 34 #SUP 1.00)
&rst
ixpk= 34, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=2508,2509,2510,
/
#
# 163 ILE HB 164 ILE QD1 4.06 (#peak 37 #SUP 1.00)
&rst
ixpk= 37, nxpk= 0, iat=2480, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=2508,2509,2510,
/
#
# 88 ALA QB 164 ILE QD1 2.90 (#peak 40 #SUP 0.99 #QF 0.97)
&rst
ixpk= 40, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1330,1331,1332,
igr2=2508,2509,2510,
/
#
# 164 ILE HB 164 ILE QD1 3.17 (#peak 40 #SUP 0.99 #QF 0.97)
&rst
ixpk= 40, nxpk= 0, iat=2499, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=2508,2509,2510,
/
#
# 100 ILE QG2 164 ILE QD1 5.82 (#peak 42 #SUP 0.98 #QF 0.96)
&rst
ixpk= 42, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1=1517,1518,1519,
igr2=2508,2509,2510,
/
#
# 100 ILE QD1 164 ILE QD1 4.24 (#peak 44 #SUP 1.00)
&rst
ixpk= 44, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1524,1525,1526,
igr2=2508,2509,2510,
/
#
# 163 ILE QG2 164 ILE QD1 4.24 (#peak 46 #SUP 0.99 #QF 0.99)
&rst
ixpk= 46, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=2482,2483,2484,
igr2=2508,2509,2510,
/
#
# 91 VAL QG1 92 PHE H 4.46 (#peak 53 #SUP 0.98 #QF 0.83)
&rst
ixpk= 53, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1386,1387,1388,
/
#
# 91 VAL QG1 157 GLU HA 4.50 (#peak 59 #SUP 0.99 #QF 0.99)
&rst
ixpk= 59, nxpk= 0, iat= -1,2392, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1386,1387,1388,
/
#
# 91 VAL HA 91 VAL QG1 3.26 (#peak 60 #SUP 1.00)
&rst
ixpk= 60, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1386,1387,1388,
/
#
# 91 VAL QG1 156 GLN HG2 5.03 (#peak 63 #SUP 0.92 #QF 0.92)
&rst
ixpk= 63, nxpk= 0, iat= -1,2380, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1386,1387,1388,
/
#
# 92 PHE HZ 109 MET QE 4.34 (#peak 69 #SUP 0.99 #QF 0.99)
&rst
ixpk= 69, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1663,1664,1665,
/
#
# 92 PHE QD 109 MET QE 4.31 (#peak 70 #SUP 0.99 #QF 0.99)
&rst
ixpk= 70, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1404,1412,
igr2=1663,1664,1665,
/
#
# 89 PHE QD 109 MET QE 5.03 (#peak 71 #SUP 0.95 #QF 0.95)
&rst
ixpk= 71, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1=1344,1352,
igr2=1663,1664,1665,
/
#
# 89 PHE QE 109 MET QE 4.36 (#peak 72 #SUP 0.91 #QF 0.91)
&rst
ixpk= 72, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1346,1350,
igr2=1663,1664,1665,
/
#
# 92 PHE QE 109 MET QE 3.77 (#peak 73 #SUP 0.99 #QF 0.99)
&rst
ixpk= 73, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1406,1410,
igr2=1663,1664,1665,
/
#
# 109 MET HA 109 MET QE 2.86 (#peak 74 #SUP 0.91 #QF 0.91)
&rst
ixpk= 74, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2=1663,1664,1665,
/
#
# 105 LEU HA 109 MET QE 4.51 (#peak 75 #SUP 0.99 #QF 0.99)
&rst
ixpk= 75, nxpk= 0, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1663,1664,1665,
/
#
# 109 MET QE 165 GLN HA 4.54 (#peak 76 #SUP 0.87 #QF 0.87)
&rst
ixpk= 76, nxpk= 0, iat= -1,2516, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1663,1664,1665,
/
#
# 109 MET QE 161 ALA HA 2.96 (#peak 77 #SUP 0.99 #QF 0.99)
&rst
ixpk= 77, nxpk= 0, iat= -1,2449, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1=1663,1664,1665,
/
#
# 108 VAL HA 109 MET QE 4.68 (#peak 78 #SUP 0.90 #QF 0.90)
&rst
ixpk= 78, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1663,1664,1665,
/
#
# 109 MET QE 164 ILE HA 5.09 (#peak 79 #SUP 0.99 #QF 0.99)
&rst
ixpk= 79, nxpk= 0, iat= -1,2497, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1663,1664,1665,
/
#
# 109 MET HG3 109 MET QE 3.36 (#peak 80 #SUP 0.98 #QF 0.98)
&rst
ixpk= 80, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1663,1664,1665,
/
#
# 109 MET HG2 109 MET QE 3.36 (#peak 81 #SUP 0.98 #QF 0.96)
&rst
ixpk= 81, nxpk= 0, iat=1659, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1663,1664,1665,
/
#
# 109 MET QE 165 GLN HG3 3.79 (#peak 82 #SUP 0.93 #QF 0.93)
&rst
ixpk= 82, nxpk= 0, iat= -1,2522, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1663,1664,1665,
/
#
# 109 MET QE 164 ILE HB 2.90 (#peak 85 #SUP 0.88 #QF 0.88)
&rst
ixpk= 85, nxpk= 0, iat= -1,2499, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1663,1664,1665,
/
#
# 109 MET QE 164 ILE QG2 3.04 (#peak 91 #SUP 0.99 #QF 0.99)
&rst
ixpk= 91, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1663,1664,1665,
igr2=2501,2502,2503,
/
#
# 109 MET QE 164 ILE QD1 3.02 (#peak 93 #SUP 0.99 #QF 0.99)
&rst
ixpk= 93, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1663,1664,1665,
igr2=2508,2509,2510,
/
#
# 93 ASP HA 100 ILE HG13 4.21 (#peak 95 #SUP 1.00)
&rst
ixpk= 95, nxpk= 0, iat=1418,1522, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, /
#
# 100 ILE HG13 138 TYR QE 4.37 (#peak 100 #SUP 1.00)
&rst
ixpk= 100, nxpk= 0, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=2089,2094,
/
#
# 100 ILE HG12 138 TYR QD 4.17 (#peak 101 #SUP 0.97 #QF 0.97)
&rst
ixpk= 101, nxpk= 0, iat=1521, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2087,2096,
/
#
# 100 ILE HG12 138 TYR QE 5.21 (#peak 102 #SUP 1.00)
&rst
ixpk= 102, nxpk= 0, iat=1521, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=2089,2094,
/
#
# 37 ARG HA 37 ARG HD3 4.53 (#peak 103 #SUP 0.97 #QF 0.97)
&rst
ixpk= 103, nxpk= 0, iat= 549, 558, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, /
#
# 37 ARG HA 37 ARG HD2 4.53 (#peak 104 #SUP 1.00)
&rst
ixpk= 104, nxpk= 0, iat= 549, 557, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, /
#
# 107 HIS HB2 108 VAL QG1 6.50 (#peak 105 #SUP 0.37 #QF 0.37)
&rst
ixpk= 105, nxpk= 0, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1642,1643,1644,
/
#
# 107 HIS HB2 108 VAL QG2 6.50 (#peak 106 #SUP 0.99 #QF 0.99)
&rst
ixpk= 106, nxpk= 0, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1646,1647,1648,
/
#
# 107 HIS HB3 108 VAL QG1 5.82 (#peak 107 #SUP 1.00)
&rst
ixpk= 107, nxpk= 0, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr2=1642,1643,1644,
/
#
# 107 HIS HB3 108 VAL QG2 5.82 (#peak 108 #SUP 0.99 #QF 0.99)
&rst
ixpk= 108, nxpk= 0, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr2=1646,1647,1648,
/
#
# 103 ALA QB 107 HIS HB2 5.57 (#peak 109 #SUP 0.93 #QF 0.93)
&rst
ixpk= 109, nxpk= 0, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1555,1556,1557,
/
#
# 103 ALA QB 107 HIS HB3 5.36 (#peak 110 #SUP 0.90 #QF 0.90)
&rst
ixpk= 110, nxpk= 0, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1555,1556,1557,
/
#
# 104 GLU H 107 HIS HB2 6.50 (#peak 126 #SUP 0.95 #QF 0.52)
&rst
ixpk= 126, nxpk= 0, iat=1561,1623, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 104 GLU H 107 HIS HB3 6.50 (#peak 127 #SUP 0.96 #QF 0.62)
&rst
ixpk= 127, nxpk= 0, iat=1561,1624, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 16 PHE HA 27 ILE QD1 4.48 (#peak 129 #SUP 0.99 #QF 0.99)
&rst
ixpk= 129, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 403, 404, 405,
/
#
# 16 PHE HA 19 PHE HB2 4.85 (#peak 134 #SUP 0.97 #QF 0.97)
&rst
ixpk= 134, nxpk= 0, iat= 236, 288, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, /
#
# 16 PHE HA 35 VAL HB 5.19 (#peak 135 #SUP 0.99 #QF 0.99)
&rst
ixpk= 135, nxpk= 0, iat= 236, 518, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, /
#
# 16 PHE HA 16 PHE QD 3.54 (#peak 138 #SUP 0.96 #QF 0.96)
&rst
ixpk= 138, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 242, 250,
/
#
# 16 PHE HA 16 PHE QE 4.78 (#peak 139 #SUP 1.00)
&rst
ixpk= 139, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 244, 248,
/
#
# 16 PHE HA 68 PHE QD 4.68 (#peak 140 #SUP 1.00)
&rst
ixpk= 140, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1000,1008,
/
#
# 16 PHE HA 68 PHE QE 4.58 (#peak 142 #SUP 0.97 #QF 0.97)
&rst
ixpk= 142, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1002,1006,
/
#
# 16 PHE HA 19 PHE QD 4.01 (#peak 143 #SUP 0.99 #QF 0.99)
&rst
ixpk= 143, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 292, 300,
/
#
# 16 PHE HA 19 PHE H 5.84 (#peak 144 #SUP 0.96 #QF 0.60)
&rst
ixpk= 144, nxpk= 0, iat= 236, 284, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, /
#
# 169 ARG HA 169 ARG HD2 4.07 (#peak 146 #SUP 0.99 #QF 0.99)
&rst
ixpk= 146, nxpk= 0, iat=2588,2596, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, /
#
# 169 ARG HA 169 ARG HD3 4.07 (#peak 147 #SUP 0.94 #QF 0.94)
&rst
ixpk= 147, nxpk= 0, iat=2588,2597, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, /
#
# 12 PHE HA 39 LEU QD1 3.61 (#peak 148 #SUP 1.00)
&rst
ixpk= 148, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 591, 592, 593,
/
#
# 39 LEU HA 39 LEU QD1 4.00 (#peak 149 #SUP 1.00)
&rst
ixpk= 149, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 591, 592, 593,
/
#
# 12 PHE QE 39 LEU QD1 4.01 (#peak 152 #SUP 0.94 #QF 0.94)
&rst
ixpk= 152, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 177, 181,
igr2= 591, 592, 593,
/
#
# 27 ILE QD1 32 LEU QD1 4.77 (#peak 155 #SUP 0.99 #QF 0.99)
&rst
ixpk= 155, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 403, 404, 405,
igr2= 483, 484, 485,
/
#
# 63 ILE HA 63 ILE HG13 3.82 (#peak 157 #SUP 1.00)
&rst
ixpk= 157, nxpk= 0, iat= 914, 923, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, /
#
# 27 ILE QG2 32 LEU HA 5.14 (#peak 160 #SUP 1.00)
&rst
ixpk= 160, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 396, 397, 398,
/
#
# 32 LEU HA 35 VAL QG1 3.92 (#peak 163 #SUP 0.96 #QF 0.96)
&rst
ixpk= 163, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 520, 521, 522,
/
#
# 32 LEU HA 32 LEU QD2 4.02 (#peak 165 #SUP 0.97 #QF 0.97)
&rst
ixpk= 165, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 487, 488, 489,
/
#
# 32 LEU HA 32 LEU HG 3.66 (#peak 166 #SUP 0.96 #QF 0.96)
&rst
ixpk= 166, nxpk= 0, iat= 476, 481, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, /
#
# 32 LEU HA 68 PHE QD 5.12 (#peak 167 #SUP 1.00)
&rst
ixpk= 167, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1000,1008,
/
#
# 8 GLN HA 12 PHE QD 5.10 (#peak 168 #SUP 0.86 #QF 0.86)
&rst
ixpk= 168, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 175, 183,
/
#
# 8 GLN HA 12 PHE HZ 5.66 (#peak 169 #SUP 1.00)
&rst
ixpk= 169, nxpk= 0, iat= 108, 179, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, /
#
# 8 GLN HA 12 PHE QE 4.50 (#peak 170 #SUP 0.87 #QF 0.87)
&rst
ixpk= 170, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 177, 181,
/
#
# 48 LEU HB2 48 LEU QD2 3.37 (#peak 171 #SUP 0.99 #QF 0.74)
&rst
ixpk= 171, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 720, 721, 722,
/
#
# 48 LEU HB3 48 LEU QD2 3.37 (#peak 172 #SUP 0.86 #QF 0.77)
&rst
ixpk= 172, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 720, 721, 722,
/
#
# 63 ILE HB 63 ILE QD1 3.11 (#peak 176 #SUP 0.95 #QF 0.87)
&rst
ixpk= 176, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 925, 926, 927,
/
#
# 105 LEU HB3 105 LEU QD2 3.37 (#peak 177 #SUP 0.99 #QF 0.99)
&rst
ixpk= 177, nxpk= 0, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1589,1590,1591,
/
#
# 102 ALA HA 105 LEU HB3 4.24 (#peak 182 #SUP 1.00 #QF 0.47)
&rst
ixpk= 182, nxpk= 0, iat=1543,1581, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, /
#
# 105 LEU HA 105 LEU QD1 3.91 (#peak 185 #SUP 1.00)
&rst
ixpk= 185, nxpk= 0, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1585,1586,1587,
/
#
# 112 LEU HA 112 LEU QD1 4.22 (#peak 186 #SUP 0.98 #QF 0.98)
&rst
ixpk= 186, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1706,1707,1708,
/
#
# 112 LEU HA 112 LEU QD2 4.22 (#peak 187 #SUP 1.00)
&rst
ixpk= 187, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1710,1711,1712,
/
#
# 111 ASN HA 112 LEU QD2 5.51 (#peak 188 #SUP 0.90 #QF 0.90)
&rst
ixpk= 188, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1710,1711,1712,
/
#
# 116 LEU QD1 168 TYR QD 3.63 (#peak 193 #SUP 0.99 #QF 0.99)
&rst
ixpk= 193, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1769,1770,1771,
igr2=2573,2582,
/
#
# 116 LEU QD1 168 TYR QE 4.44 (#peak 194 #SUP 0.98 #QF 0.98)
&rst
ixpk= 194, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1769,1770,1771,
igr2=2575,2580,
/
#
# 27 ILE QD1 63 ILE HG12 5.67 (#peak 197 #SUP 0.95 #QF 0.95)
&rst
ixpk= 197, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 403, 404, 405,
/
#
# 63 ILE HA 63 ILE QD1 3.95 (#peak 199 #SUP 0.99 #QF 0.99)
&rst
ixpk= 199, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 925, 926, 927,
/
#
# 29 THR HB 63 ILE QD1 4.40 (#peak 201 #SUP 0.92 #QF 0.92)
&rst
ixpk= 201, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 925, 926, 927,
/
#
# 63 ILE QD1 68 PHE HB3 5.32 (#peak 203 #SUP 0.97 #QF 0.97)
&rst
ixpk= 203, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 925, 926, 927,
/
#
# 63 ILE QD1 68 PHE HB2 4.61 (#peak 204 #SUP 0.95 #QF 0.95)
&rst
ixpk= 204, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 925, 926, 927,
/
#
# 63 ILE QD1 68 PHE HA 4.16 (#peak 205 #SUP 0.97 #QF 0.97)
&rst
ixpk= 205, nxpk= 0, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 925, 926, 927,
/
#
# 63 ILE QD1 68 PHE QD 3.86 (#peak 208 #SUP 0.84 #QF 0.84)
&rst
ixpk= 208, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 925, 926, 927,
igr2=1000,1008,
/
#
# 63 ILE QD1 71 MET QE 3.14 (#peak 209 #SUP 0.96 #QF 0.96)
&rst
ixpk= 209, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 925, 926, 927,
igr2=1056,1057,1058,
/
#
# 63 ILE QG2 63 ILE QD1 2.75 (#peak 211 #SUP 1.00 #QF 0.80)
&rst
ixpk= 211, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 918, 919, 920,
igr2= 925, 926, 927,
/
#
# 27 ILE QD1 63 ILE QD1 3.69 (#peak 213 #SUP 0.98 #QF 0.98)
&rst
ixpk= 213, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 403, 404, 405,
igr2= 925, 926, 927,
/
#
# 63 ILE HA 64 ASP HA 5.41 (#peak 215 #SUP 1.00)
&rst
ixpk= 215, nxpk= 0, iat= 914, 933, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, /
#
# 62 THR HA 63 ILE HA 5.04 (#peak 216 #SUP 0.97 #QF 0.97)
&rst
ixpk= 216, nxpk= 0, iat= 900, 914, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, /
#
# 63 ILE HA 63 ILE HG12 3.76 (#peak 220 #SUP 1.00)
&rst
ixpk= 220, nxpk= 0, iat= 914, 922, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, /
#
# 27 ILE QD1 63 ILE HA 6.27 (#peak 223 #SUP 1.00)
&rst
ixpk= 223, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 403, 404, 405,
/
#
# 26 THR HA 63 ILE HB 5.97 (#peak 228 #SUP 0.95 #QF 0.95)
&rst
ixpk= 228, nxpk= 0, iat= 378, 916, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, /
#
# 26 THR HA 64 ASP HB3 4.91 (#peak 229 #SUP 0.99 #QF 0.99)
&rst
ixpk= 229, nxpk= 0, iat= 378, 936, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, /
#
# 26 THR HA 64 ASP HB2 5.48 (#peak 230 #SUP 0.99 #QF 0.99)
&rst
ixpk= 230, nxpk= 0, iat= 378, 935, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, /
#
# 25 GLY HA2 26 THR HA 5.29 (#peak 231 #SUP 0.99 #QF 0.99)
&rst
ixpk= 231, nxpk= 0, iat= 371, 378, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, /
#
# 26 THR HA 65 PHE HA 5.24 (#peak 232 #SUP 0.88 #QF 0.88)
&rst
ixpk= 232, nxpk= 0, iat= 378, 945, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, /
#
# 25 GLY HA3 26 THR HA 5.42 (#peak 234 #SUP 1.00)
&rst
ixpk= 234, nxpk= 0, iat= 372, 378, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, /
#
# 16 PHE QD 26 THR HA 5.06 (#peak 236 #SUP 0.98 #QF 0.98)
&rst
ixpk= 236, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 242, 250,
/
#
# 16 PHE QE 26 THR HA 3.81 (#peak 237 #SUP 0.99 #QF 0.99)
&rst
ixpk= 237, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 244, 248,
/
#
# 16 PHE HZ 26 THR HA 3.36 (#peak 238 #SUP 0.99 #QF 0.99)
&rst
ixpk= 238, nxpk= 0, iat= 246, 378, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, /
#
# 52 ILE HA 52 ILE HG12 4.02 (#peak 240 #SUP 0.99 #QF 0.99)
&rst
ixpk= 240, nxpk= 0, iat= 774, 782, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, /
#
# 168 TYR HA 168 TYR QD 3.03 (#peak 243 #SUP 0.96 #QF 0.96)
&rst
ixpk= 243, nxpk= 0, iat=2567, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2=2573,2582,
/
#
# 125 ILE HA 125 ILE HG13 3.93 (#peak 247 #SUP 1.00)
&rst
ixpk= 247, nxpk= 0, iat=1897,1906, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, /
#
# 125 ILE HA 125 ILE HG12 3.93 (#peak 248 #SUP 0.99 #QF 0.99)
&rst
ixpk= 248, nxpk= 0, iat=1897,1905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, /
#
# 124 MET HG3 125 ILE HA 4.45 (#peak 249 #SUP 0.80 #QF 0.80)
&rst
ixpk= 249, nxpk= 0, iat=1886,1897, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, /
#
# 124 MET HG2 125 ILE HA 4.68 (#peak 250 #SUP 0.93 #QF 0.93)
&rst
ixpk= 250, nxpk= 0, iat=1885,1897, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, /
#
# 125 ILE HA 141 PHE QE 5.87 (#peak 253 #SUP 0.99 #QF 0.99)
&rst
ixpk= 253, nxpk= 0, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=2140,2144,
/
#
# 108 VAL HA 111 ASN HA 5.47 (#peak 255 #SUP 0.35 #QF 0.35)
&rst
ixpk= 255, nxpk= 0, iat=1638,1685, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, /
#
# 4 LEU HA 9 ILE HA 6.50 (#peak 256 #SUP 1.00)
&rst
ixpk= 256, nxpk= 0, iat= 45, 125, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 163 ILE QG2 164 ILE HB 5.28 (#peak 261 #SUP 0.99 #QF 0.99)
&rst
ixpk= 261, nxpk= 0, iat= -1,2499, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=2482,2483,2484,
/
#
# 164 ILE HB 165 GLN HA 5.26 (#peak 265 #SUP 0.98 #QF 0.98)
&rst
ixpk= 265, nxpk= 0, iat=2499,2516, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, /
#
# 89 PHE HA 164 ILE HB 6.34 (#peak 266 #SUP 0.99 #QF 0.99)
&rst
ixpk= 266, nxpk= 0, iat=1338,2499, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, /
#
# 160 SER HB3 164 ILE HB 6.50 (#peak 266 #SUP 0.99 #QF 0.99)
&rst
ixpk= 266, nxpk= 0, iat=2441,2499, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 92 PHE QE 164 ILE HB 4.89 (#peak 267 #SUP 1.00 #QF 0.77)
&rst
ixpk= 267, nxpk= 0, iat= -1,2499, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1406,1410,
/
#
# 89 PHE QE 164 ILE HB 5.23 (#peak 268 #SUP 1.00)
&rst
ixpk= 268, nxpk= 0, iat= -1,2499, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1346,1350,
/
#
# 89 PHE QD 164 ILE HB 5.55 (#peak 269 #SUP 0.95 #QF 0.95)
&rst
ixpk= 269, nxpk= 0, iat= -1,2499, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1344,1352,
/
#
# 92 PHE QD 164 ILE HB 5.77 (#peak 270 #SUP 0.98 #QF 0.98)
&rst
ixpk= 270, nxpk= 0, iat= -1,2499, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1404,1412,
/
#
# 89 PHE HZ 164 ILE HA 5.16 (#peak 271 #SUP 0.88 #QF 0.88)
&rst
ixpk= 271, nxpk= 0, iat=1348,2497, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, /
#
# 89 PHE QE 164 ILE HA 4.73 (#peak 272 #SUP 0.99 #QF 0.99)
&rst
ixpk= 272, nxpk= 0, iat= -1,2497, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1346,1350,
/
#
# 35 VAL HA 68 PHE QE 6.41 (#peak 273 #SUP 0.97 #QF 0.24)
&rst
ixpk= 273, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=1002,1006,
/
#
# 89 PHE QD 164 ILE HA 6.50 (#peak 273 #SUP 0.97 #QF 0.24)
&rst
ixpk= 273, nxpk= 0, iat= -1,2497, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1344,1352,
/
#
# 162 ILE HA 162 ILE HG12 4.13 (#peak 279 #SUP 0.99 #QF 0.99)
&rst
ixpk= 279, nxpk= 0, iat=2459,2467, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, /
#
# 42 ASN HA 43 PRO HD2 3.24 (#peak 290 #SUP 0.98 #QF 0.98)
&rst
ixpk= 290, nxpk= 0, iat= 627, 640, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, /
#
# 37 ARG HA 43 PRO HD2 4.65 (#peak 291 #SUP 0.96 #QF 0.34)
&rst
ixpk= 291, nxpk= 0, iat= 549, 640, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, /
#
# 43 PRO HD3 48 LEU QD1 5.21 (#peak 295 #SUP 0.97 #QF 0.96)
&rst
ixpk= 295, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 716, 717, 718,
/
#
# 42 ASN HB3 43 PRO HD3 6.06 (#peak 299 #SUP 1.00 #QF 0.97)
&rst
ixpk= 299, nxpk= 0, iat= 630, 641, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, /
#
# 42 ASN HB2 43 PRO HD3 6.06 (#peak 300 #SUP 1.00 #QF 0.98)
&rst
ixpk= 300, nxpk= 0, iat= 629, 641, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, /
#
# 36 MET HB2 43 PRO HD3 3.61 (#peak 304 #SUP 1.00 #QF 0.79)
&rst
ixpk= 304, nxpk= 0, iat= 534, 641, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, /
#
# 36 MET QE 43 PRO HD3 3.75 (#peak 306 #SUP 0.96 #QF 0.96)
&rst
ixpk= 306, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 541, 542, 543,
/
#
# 36 MET HB2 43 PRO HD2 4.20 (#peak 308 #SUP 1.00 #QF 0.67)
&rst
ixpk= 308, nxpk= 0, iat= 534, 640, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, /
#
# 43 PRO HD2 48 LEU QD1 5.90 (#peak 313 #SUP 1.00 #QF 0.86)
&rst
ixpk= 313, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 716, 717, 718,
/
#
# 43 PRO HD2 48 LEU QD2 5.90 (#peak 313 #SUP 1.00 #QF 0.86)
&rst
ixpk= 313, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 720, 721, 722,
/
#
# 12 PHE QE 72 MET HG2 5.45 (#peak 319 #SUP 0.99 #QF 0.99)
&rst
ixpk= 319, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 177, 181,
/
#
# 68 PHE QE 72 MET HG3 4.56 (#peak 320 #SUP 0.95 #QF 0.95)
&rst
ixpk= 320, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1002,1006,
/
#
# 68 PHE QE 72 MET HG2 4.66 (#peak 321 #SUP 1.00)
&rst
ixpk= 321, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1002,1006,
/
#
# 68 PHE QD 72 MET HG3 5.20 (#peak 322 #SUP 0.96 #QF 0.96)
&rst
ixpk= 322, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1000,1008,
/
#
# 68 PHE HZ 72 MET HG3 5.07 (#peak 323 #SUP 0.92 #QF 0.92)
&rst
ixpk= 323, nxpk= 0, iat=1004,1070, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, /
#
# 68 PHE HZ 72 MET HG2 5.28 (#peak 324 #SUP 1.00)
&rst
ixpk= 324, nxpk= 0, iat=1004,1069, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, /
#
# 68 PHE QD 72 MET HG2 5.02 (#peak 325 #SUP 0.99 #QF 0.99)
&rst
ixpk= 325, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1000,1008,
/
#
# 36 MET HA 72 MET QE 3.89 (#peak 344 #SUP 0.98 #QF 0.28)
&rst
ixpk= 344, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1073,1074,1075,
/
#
# 72 MET HA 72 MET HG3 3.82 (#peak 345 #SUP 1.00)
&rst
ixpk= 345, nxpk= 0, iat=1064,1070, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, /
#
# 72 MET HA 72 MET HG2 3.74 (#peak 346 #SUP 0.99 #QF 0.99)
&rst
ixpk= 346, nxpk= 0, iat=1064,1069, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, /
#
# 72 MET HA 72 MET QE 3.63 (#peak 349 #SUP 0.97 #QF 0.97)
&rst
ixpk= 349, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1073,1074,1075,
/
#
# 72 MET HA 75 LYS HB3 4.12 (#peak 352 #SUP 0.86 #QF 0.86)
&rst
ixpk= 352, nxpk= 0, iat=1064,1118, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, /
#
# 69 LEU HA 72 MET HA 4.92 (#peak 355 #SUP 1.00)
&rst
ixpk= 355, nxpk= 0, iat=1014,1064, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, /
#
# 12 PHE QE 72 MET HA 5.47 (#peak 357 #SUP 1.00)
&rst
ixpk= 357, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 177, 181,
/
#
# 12 PHE HZ 72 MET HA 5.60 (#peak 358 #SUP 0.99 #QF 0.99)
&rst
ixpk= 358, nxpk= 0, iat= 179,1064, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, /
#
# 12 PHE QD 72 MET HA 6.39 (#peak 359 #SUP 0.98 #QF 0.98)
&rst
ixpk= 359, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 175, 183,
/
#
# 68 PHE QE 72 MET HA 5.77 (#peak 360 #SUP 0.96 #QF 0.96)
&rst
ixpk= 360, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1002,1006,
/
#
# 48 LEU HA 51 MET HB2 3.31 (#peak 369 #SUP 0.88 #QF 0.29)
&rst
ixpk= 369, nxpk= 0, iat= 709, 759, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, /
#
# 51 MET HA 51 MET HG3 3.63 (#peak 373 #SUP 0.94 #QF 0.94)
&rst
ixpk= 373, nxpk= 0, iat= 757, 763, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, /
#
# 48 LEU HA 51 MET QE 3.04 (#peak 374 #SUP 0.80 #QF 0.80)
&rst
ixpk= 374, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 766, 767, 768,
/
#
# 51 MET HG3 51 MET QE 3.36 (#peak 375 #SUP 0.91 #QF 0.87)
&rst
ixpk= 375, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 766, 767, 768,
/
#
# 51 MET HG2 51 MET QE 3.36 (#peak 376 #SUP 0.99 #QF 0.99)
&rst
ixpk= 376, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 766, 767, 768,
/
#
# 51 MET HB2 51 MET QE 3.74 (#peak 378 #SUP 0.91 #QF 0.91)
&rst
ixpk= 378, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 766, 767, 768,
/
#
# 27 ILE QG2 27 ILE QD1 2.88 (#peak 380 #SUP 1.00)
&rst
ixpk= 380, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 396, 397, 398,
igr2= 403, 404, 405,
/
#
# 27 ILE QG2 27 ILE HG12 3.51 (#peak 382 #SUP 1.00)
&rst
ixpk= 382, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 396, 397, 398,
/
#
# 27 ILE QG2 63 ILE QD1 5.29 (#peak 383 #SUP 0.99 #QF 0.99)
&rst
ixpk= 383, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 396, 397, 398,
igr2= 925, 926, 927,
/
#
# 27 ILE QG2 27 ILE HG13 3.51 (#peak 384 #SUP 0.97 #QF 0.97)
&rst
ixpk= 384, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 396, 397, 398,
/
#
# 27 ILE QG2 28 THR QG2 5.03 (#peak 385 #SUP 0.98 #QF 0.98)
&rst
ixpk= 385, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 396, 397, 398,
igr2= 415, 416, 417,
/
#
# 27 ILE QG2 32 LEU HG 6.50 (#peak 386 #SUP 0.99 #QF 0.23)
&rst
ixpk= 386, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 396, 397, 398,
/
#
# 27 ILE QG2 63 ILE HG13 6.50 (#peak 386 #SUP 0.99 #QF 0.23)
&rst
ixpk= 386, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 396, 397, 398,
/
#
# 27 ILE QG2 31 GLU HB3 4.57 (#peak 387 #SUP 0.95 #QF 0.95)
&rst
ixpk= 387, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 396, 397, 398,
/
#
# 27 ILE QG2 31 GLU HB2 4.57 (#peak 388 #SUP 0.90 #QF 0.90)
&rst
ixpk= 388, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 396, 397, 398,
/
#
# 19 PHE HB2 27 ILE QG2 3.45 (#peak 390 #SUP 1.00)
&rst
ixpk= 390, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 396, 397, 398,
/
#
# 20 ASP HB3 27 ILE QG2 4.32 (#peak 392 #SUP 1.00)
&rst
ixpk= 392, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 396, 397, 398,
/
#
# 20 ASP HB2 27 ILE QG2 4.12 (#peak 393 #SUP 0.97 #QF 0.97)
&rst
ixpk= 393, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 396, 397, 398,
/
#
# 19 PHE HB3 27 ILE QG2 3.76 (#peak 394 #SUP 0.99 #QF 0.99)
&rst
ixpk= 394, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 396, 397, 398,
/
#
# 16 PHE HA 27 ILE QG2 3.93 (#peak 395 #SUP 0.99 #QF 0.99)
&rst
ixpk= 395, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 396, 397, 398,
/
#
# 19 PHE HA 27 ILE QG2 4.75 (#peak 397 #SUP 1.00)
&rst
ixpk= 397, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 396, 397, 398,
/
#
# 17 SER HA 27 ILE QG2 4.63 (#peak 398 #SUP 0.98 #QF 0.98)
&rst
ixpk= 398, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 396, 397, 398,
/
#
# 27 ILE HA 27 ILE QG2 3.03 (#peak 400 #SUP 0.98 #QF 0.98)
&rst
ixpk= 400, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 396, 397, 398,
/
#
# 26 THR HA 27 ILE QG2 4.58 (#peak 401 #SUP 0.96 #QF 0.96)
&rst
ixpk= 401, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 396, 397, 398,
/
#
# 16 PHE QD 27 ILE QG2 3.96 (#peak 402 #SUP 0.97 #QF 0.97)
&rst
ixpk= 402, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 242, 250,
igr2= 396, 397, 398,
/
#
# 16 PHE QE 27 ILE QG2 3.66 (#peak 403 #SUP 1.00)
&rst
ixpk= 403, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 244, 248,
igr2= 396, 397, 398,
/
#
# 27 ILE QG2 68 PHE QE 6.47 (#peak 404 #SUP 1.00)
&rst
ixpk= 404, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22,
igr1= 396, 397, 398,
igr2=1002,1006,
/
#
# 16 PHE HZ 27 ILE QG2 4.19 (#peak 405 #SUP 1.00 #QF 0.99)
&rst
ixpk= 405, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 396, 397, 398,
/
#
# 20 ASP H 27 ILE QG2 3.87 (#peak 406 #SUP 0.86 #QF 0.86)
&rst
ixpk= 406, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 396, 397, 398,
/
#
# 36 MET HA 36 MET HG2 3.53 (#peak 410 #SUP 0.98 #QF 0.98)
&rst
ixpk= 410, nxpk= 0, iat= 532, 537, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, /
#
# 141 PHE QD 144 MET HG3 5.24 (#peak 417 #SUP 0.95 #QF 0.95)
&rst
ixpk= 417, nxpk= 0, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2138,2146,
/
#
# 144 MET HA 144 MET HG2 3.65 (#peak 418 #SUP 0.97 #QF 0.97)
&rst
ixpk= 418, nxpk= 0, iat=2185,2190, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, /
#
# 144 MET HG3 145 MET HA 4.87 (#peak 420 #SUP 0.98 #QF 0.98)
&rst
ixpk= 420, nxpk= 0, iat=2191,2202, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, /
#
# 144 MET HG2 145 MET HA 4.27 (#peak 421 #SUP 0.95 #QF 0.95)
&rst
ixpk= 421, nxpk= 0, iat=2190,2202, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, /
#
# 141 PHE QE 144 MET HG2 5.45 (#peak 422 #SUP 1.00)
&rst
ixpk= 422, nxpk= 0, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=2140,2144,
/
#
# 141 PHE QE 144 MET HG3 5.95 (#peak 423 #SUP 0.99 #QF 0.99)
&rst
ixpk= 423, nxpk= 0, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1=2140,2144,
/
#
# 144 MET HG3 147 ALA QB 5.15 (#peak 424 #SUP 0.95 #QF 0.95)
&rst
ixpk= 424, nxpk= 0, iat=2191, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=2235,2236,2237,
/
#
# 144 MET HG2 147 ALA QB 5.36 (#peak 425 #SUP 0.97 #QF 0.97)
&rst
ixpk= 425, nxpk= 0, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=2235,2236,2237,
/
#
# 100 ILE HA 100 ILE HG12 3.48 (#peak 429 #SUP 1.00 #QF 0.99)
&rst
ixpk= 429, nxpk= 0, iat=1513,1521, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, /
#
# 99 TYR HA 100 ILE HA 4.81 (#peak 431 #SUP 1.00)
&rst
ixpk= 431, nxpk= 0, iat=1492,1513, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, /
#
# 99 TYR QD 100 ILE HA 4.27 (#peak 433 #SUP 0.85 #QF 0.85)
&rst
ixpk= 433, nxpk= 0, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1498,1507,
/
#
# 16 PHE QE 27 ILE HA 5.12 (#peak 434 #SUP 0.97 #QF 0.97)
&rst
ixpk= 434, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 244, 248,
/
#
# 20 ASP H 27 ILE HA 6.50 (#peak 437 #SUP 0.88 #QF 0.88)
&rst
ixpk= 437, nxpk= 0, iat= 304, 392, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 16 PHE HZ 27 ILE HA 6.13 (#peak 438 #SUP 0.99 #QF 0.99)
&rst
ixpk= 438, nxpk= 0, iat= 246, 392, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, /
#
# 41 GLN HA 42 ASN HA 4.82 (#peak 443 #SUP 1.00)
&rst
ixpk= 443, nxpk= 0, iat= 610, 627, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, /
#
# 41 GLN HA 43 PRO HD2 5.82 (#peak 445 #SUP 0.90 #QF 0.90)
&rst
ixpk= 445, nxpk= 0, iat= 610, 640, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, /
#
# 41 GLN HA 43 PRO HD3 5.20 (#peak 446 #SUP 0.97 #QF 0.97)
&rst
ixpk= 446, nxpk= 0, iat= 610, 641, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, /
#
# 41 GLN HA 42 ASN HB2 5.05 (#peak 448 #SUP 0.87 #QF 0.87)
&rst
ixpk= 448, nxpk= 0, iat= 610, 629, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, /
#
# 41 GLN HA 41 GLN HG3 4.01 (#peak 449 #SUP 1.00)
&rst
ixpk= 449, nxpk= 0, iat= 610, 616, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, /
#
# 41 GLN HA 41 GLN HG2 4.01 (#peak 450 #SUP 0.97 #QF 0.97)
&rst
ixpk= 450, nxpk= 0, iat= 610, 615, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, /
#
# 16 PHE QE 65 PHE HB2 4.53 (#peak 472 #SUP 1.00)
&rst
ixpk= 472, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 244, 248,
/
#
# 16 PHE HZ 65 PHE HB2 5.02 (#peak 474 #SUP 0.98 #QF 0.98)
&rst
ixpk= 474, nxpk= 0, iat= 246, 947, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, /
#
# 16 PHE QE 65 PHE HB3 4.94 (#peak 475 #SUP 0.99 #QF 0.99)
&rst
ixpk= 475, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 244, 248,
/
#
# 92 PHE QE 161 ALA QB 3.55 (#peak 480 #SUP 1.00)
&rst
ixpk= 480, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1406,1410,
igr2=2451,2452,2453,
/
#
# 92 PHE QD 161 ALA QB 4.69 (#peak 481 #SUP 0.98 #QF 0.98)
&rst
ixpk= 481, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1404,1412,
igr2=2451,2452,2453,
/
#
# 92 PHE HZ 161 ALA QB 3.36 (#peak 482 #SUP 1.00)
&rst
ixpk= 482, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2451,2452,2453,
/
#
# 161 ALA QB 164 ILE QD1 3.88 (#peak 484 #SUP 1.00)
&rst
ixpk= 484, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2451,2452,2453,
igr2=2508,2509,2510,
/
#
# 92 PHE HB3 108 VAL QG2 6.50 (#peak 490 #SUP 0.99 #QF 0.99)
&rst
ixpk= 490, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1646,1647,1648,
/
#
# 92 PHE HB3 100 ILE HG13 5.53 (#peak 497 #SUP 0.98 #QF 0.98)
&rst
ixpk= 497, nxpk= 0, iat=1401,1522, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, /
#
# 92 PHE HB2 100 ILE HG13 5.38 (#peak 501 #SUP 0.94 #QF 0.94)
&rst
ixpk= 501, nxpk= 0, iat=1400,1522, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, /
#
# 88 ALA QB 92 PHE HB2 6.50 (#peak 502 #SUP 0.99 #QF 0.69)
&rst
ixpk= 502, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1=1330,1331,1332,
/
#
# 89 PHE HB2 92 PHE HB2 6.50 (#peak 502 #SUP 0.99 #QF 0.69)
&rst
ixpk= 502, nxpk= 0, iat=1340,1400, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 92 PHE HB2 100 ILE HG12 5.10 (#peak 503 #SUP 0.98 #QF 0.35)
&rst
ixpk= 503, nxpk= 0, iat=1400,1521, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, /
#
# 92 PHE HB3 100 ILE HG12 4.90 (#peak 504 #SUP 0.99 #QF 0.99)
&rst
ixpk= 504, nxpk= 0, iat=1401,1521, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, /
#
# 42 ASN HB3 43 PRO HD2 4.89 (#peak 509 #SUP 0.99 #QF 0.99)
&rst
ixpk= 509, nxpk= 0, iat= 630, 640, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, /
#
# 89 PHE HA 92 PHE HB3 5.67 (#peak 510 #SUP 0.95 #QF 0.95)
&rst
ixpk= 510, nxpk= 0, iat=1338,1401, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, /
#
# 89 PHE HA 92 PHE HB2 4.39 (#peak 511 #SUP 0.84 #QF 0.84)
&rst
ixpk= 511, nxpk= 0, iat=1338,1400, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, /
#
# 89 PHE QD 92 PHE HB3 5.39 (#peak 518 #SUP 0.96 #QF 0.96)
&rst
ixpk= 518, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1344,1352,
/
#
# 13 LYS HA 65 PHE QD 3.82 (#peak 521 #SUP 0.86 #QF 0.86)
&rst
ixpk= 521, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 951, 959,
/
#
# 13 LYS HA 65 PHE HZ 4.28 (#peak 522 #SUP 0.99 #QF 0.99)
&rst
ixpk= 522, nxpk= 0, iat= 189, 955, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, /
#
# 102 ALA QB 125 ILE QD1 3.17 (#peak 523 #SUP 0.61 #QF 0.32)
&rst
ixpk= 523, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1545,1546,1547,
igr2=1908,1909,1910,
/
#
# 105 LEU HB3 125 ILE QD1 3.29 (#peak 523 #SUP 0.61 #QF 0.32)
&rst
ixpk= 523, nxpk= 0, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1908,1909,1910,
/
#
# 124 MET HG2 125 ILE QD1 3.15 (#peak 524 #SUP 0.64 #QF 0.41)
&rst
ixpk= 524, nxpk= 0, iat=1885, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1908,1909,1910,
/
#
# 125 ILE HB 125 ILE QD1 3.37 (#peak 525 #SUP 1.00)
&rst
ixpk= 525, nxpk= 0, iat=1899, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1908,1909,1910,
/
#
# 106 ARG HD2 125 ILE QD1 5.03 (#peak 526 #SUP 0.98 #QF 0.98)
&rst
ixpk= 526, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1908,1909,1910,
/
#
# 106 ARG HD3 125 ILE QD1 5.03 (#peak 528 #SUP 1.00)
&rst
ixpk= 528, nxpk= 0, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1908,1909,1910,
/
#
# 125 ILE HA 125 ILE QD1 3.14 (#peak 529 #SUP 0.94 #QF 0.94)
&rst
ixpk= 529, nxpk= 0, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1908,1909,1910,
/
#
# 102 ALA HA 125 ILE QD1 3.43 (#peak 530 #SUP 0.99 #QF 0.99)
&rst
ixpk= 530, nxpk= 0, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1908,1909,1910,
/
#
# 125 ILE QD1 141 PHE QE 5.18 (#peak 532 #SUP 0.83 #QF 0.83)
&rst
ixpk= 532, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=1908,1909,1910,
igr2=2140,2144,
/
#
# 9 ILE QG2 9 ILE QD1 3.28 (#peak 535 #SUP 1.00)
&rst
ixpk= 535, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 129, 130, 131,
igr2= 136, 137, 138,
/
#
# 4 LEU HB2 9 ILE QD1 3.52 (#peak 536 #SUP 0.90 #QF 0.90)
&rst
ixpk= 536, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 136, 137, 138,
/
#
# 6 GLU HA 9 ILE QD1 3.19 (#peak 538 #SUP 0.64 #QF 0.64)
&rst
ixpk= 538, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 136, 137, 138,
/
#
# 4 LEU HA 9 ILE QD1 4.42 (#peak 540 #SUP 0.96 #QF 0.96)
&rst
ixpk= 540, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 136, 137, 138,
/
#
# 9 ILE QD1 12 PHE QE 6.01 (#peak 542 #SUP 0.95 #QF 0.95)
&rst
ixpk= 542, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60,
igr1= 136, 137, 138,
igr2= 177, 181,
/
#
# 9 ILE QD1 65 PHE HZ 4.82 (#peak 543 #SUP 0.99 #QF 0.99)
&rst
ixpk= 543, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 136, 137, 138,
/
#
# 27 ILE QD1 35 VAL QG2 3.41 (#peak 548 #SUP 0.85 #QF 0.85)
&rst
ixpk= 548, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 403, 404, 405,
igr2= 524, 525, 526,
/
#
# 27 ILE QD1 32 LEU HB2 4.30 (#peak 550 #SUP 0.92 #QF 0.92)
&rst
ixpk= 550, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 403, 404, 405,
/
#
# 27 ILE QD1 28 THR QG2 5.51 (#peak 551 #SUP 0.97 #QF 0.97)
&rst
ixpk= 551, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr1= 403, 404, 405,
igr2= 415, 416, 417,
/
#
# 27 ILE QD1 32 LEU HG 5.03 (#peak 552 #SUP 0.99 #QF 0.60)
&rst
ixpk= 552, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 403, 404, 405,
/
#
# 27 ILE QD1 63 ILE HG13 5.50 (#peak 552 #SUP 0.99 #QF 0.60)
&rst
ixpk= 552, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 403, 404, 405,
/
#
# 19 PHE HB2 27 ILE QD1 4.46 (#peak 553 #SUP 0.99 #QF 0.99)
&rst
ixpk= 553, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 403, 404, 405,
/
#
# 27 ILE QD1 31 GLU HB3 3.80 (#peak 555 #SUP 0.91 #QF 0.84)
&rst
ixpk= 555, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 403, 404, 405,
/
#
# 27 ILE QD1 35 VAL HB 4.09 (#peak 555 #SUP 0.91 #QF 0.84)
&rst
ixpk= 555, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 403, 404, 405,
/
#
# 27 ILE QD1 31 GLU HB2 3.80 (#peak 556 #SUP 1.00 #QF 0.91)
&rst
ixpk= 556, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 403, 404, 405,
/
#
# 27 ILE QD1 63 ILE HB 4.27 (#peak 556 #SUP 1.00 #QF 0.91)
&rst
ixpk= 556, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 403, 404, 405,
/
#
# 27 ILE HB 27 ILE QD1 3.27 (#peak 557 #SUP 1.00)
&rst
ixpk= 557, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 403, 404, 405,
/
#
# 19 PHE HB3 27 ILE QD1 4.91 (#peak 558 #SUP 0.96 #QF 0.89)
&rst
ixpk= 558, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 403, 404, 405,
/
#
# 27 ILE QD1 68 PHE HB3 5.28 (#peak 558 #SUP 0.96 #QF 0.89)
&rst
ixpk= 558, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 403, 404, 405,
/
#
# 27 ILE QD1 35 VAL HA 5.32 (#peak 559 #SUP 0.97 #QF 0.97)
&rst
ixpk= 559, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 403, 404, 405,
/
#
# 27 ILE QD1 68 PHE HB2 5.64 (#peak 560 #SUP 0.98 #QF 0.98)
&rst
ixpk= 560, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 403, 404, 405,
/
#
# 27 ILE QD1 32 LEU HA 3.35 (#peak 561 #SUP 0.99 #QF 0.99)
&rst
ixpk= 561, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 403, 404, 405,
/
#
# 17 SER HA 27 ILE QD1 6.50 (#peak 564 #SUP 0.93 #QF 0.93)
&rst
ixpk= 564, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 403, 404, 405,
/
#
# 27 ILE QD1 68 PHE HA 5.43 (#peak 565 #SUP 0.98 #QF 0.98)
&rst
ixpk= 565, nxpk= 0, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 403, 404, 405,
/
#
# 26 THR HB 27 ILE QD1 6.50 (#peak 566 #SUP 0.98 #QF 0.98)
&rst
ixpk= 566, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 403, 404, 405,
/
#
# 27 ILE QD1 34 THR HB 5.51 (#peak 567 #SUP 0.83 #QF 0.83)
&rst
ixpk= 567, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 403, 404, 405,
/
#
# 27 ILE QD1 28 THR HB 6.50 (#peak 568 #SUP 0.98 #QF 0.21)
&rst
ixpk= 568, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 403, 404, 405,
/
#
# 20 ASP HA 27 ILE QD1 5.72 (#peak 570 #SUP 0.99 #QF 0.99)
&rst
ixpk= 570, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr2= 403, 404, 405,
/
#
# 27 ILE HA 27 ILE QD1 4.31 (#peak 571 #SUP 1.00)
&rst
ixpk= 571, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 403, 404, 405,
/
#
# 26 THR HA 27 ILE QD1 5.38 (#peak 572 #SUP 0.92 #QF 0.92)
&rst
ixpk= 572, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 403, 404, 405,
/
#
# 16 PHE HB2 27 ILE QD1 5.80 (#peak 573 #SUP 0.94 #QF 0.94)
&rst
ixpk= 573, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 403, 404, 405,
/
#
# 20 ASP HB2 27 ILE QD1 5.82 (#peak 574 #SUP 0.55 #QF 0.55)
&rst
ixpk= 574, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr2= 403, 404, 405,
/
#
# 16 PHE QD 27 ILE QD1 3.88 (#peak 575 #SUP 0.97 #QF 0.97)
&rst
ixpk= 575, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 242, 250,
igr2= 403, 404, 405,
/
#
# 16 PHE QE 27 ILE QD1 3.61 (#peak 576 #SUP 1.00)
&rst
ixpk= 576, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 244, 248,
igr2= 403, 404, 405,
/
#
# 27 ILE QD1 68 PHE QD 4.45 (#peak 577 #SUP 0.99 #QF 0.99)
&rst
ixpk= 577, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 403, 404, 405,
igr2=1000,1008,
/
#
# 27 ILE QD1 68 PHE QE 4.59 (#peak 578 #SUP 1.00)
&rst
ixpk= 578, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 403, 404, 405,
igr2=1002,1006,
/
#
# 16 PHE HZ 27 ILE QD1 4.40 (#peak 579 #SUP 0.99 #QF 0.99)
&rst
ixpk= 579, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 403, 404, 405,
/
#
# 19 PHE QD 27 ILE QD1 4.80 (#peak 580 #SUP 0.99 #QF 0.99)
&rst
ixpk= 580, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 292, 300,
igr2= 403, 404, 405,
/
#
# 85 ILE QD1 89 PHE QD 5.14 (#peak 581 #SUP 0.95 #QF 0.95)
&rst
ixpk= 581, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1281,1282,1283,
igr2=1344,1352,
/
#
# 85 ILE QD1 89 PHE QE 4.34 (#peak 582 #SUP 1.00)
&rst
ixpk= 582, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1281,1282,1283,
igr2=1346,1350,
/
#
# 100 ILE QD1 138 TYR QD 3.55 (#peak 586 #SUP 0.97 #QF 0.97)
&rst
ixpk= 586, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1524,1525,1526,
igr2=2087,2096,
/
#
# 89 PHE QE 100 ILE QD1 3.62 (#peak 588 #SUP 0.99 #QF 0.99)
&rst
ixpk= 588, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1346,1350,
igr2=1524,1525,1526,
/
#
# 89 PHE QD 100 ILE QD1 3.14 (#peak 589 #SUP 0.97 #QF 0.97)
&rst
ixpk= 589, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1344,1352,
igr2=1524,1525,1526,
/
#
# 92 PHE QD 100 ILE QD1 3.49 (#peak 590 #SUP 0.99 #QF 0.99)
&rst
ixpk= 590, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1404,1412,
igr2=1524,1525,1526,
/
#
# 16 PHE HZ 63 ILE QD1 4.94 (#peak 592 #SUP 0.91 #QF 0.91)
&rst
ixpk= 592, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 925, 926, 927,
/
#
# 9 ILE QG2 65 PHE HZ 3.45 (#peak 594 #SUP 0.99 #QF 0.48)
&rst
ixpk= 594, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 129, 130, 131,
/
#
# 92 PHE QD 100 ILE QG2 4.47 (#peak 595 #SUP 0.99 #QF 0.99)
&rst
ixpk= 595, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1404,1412,
igr2=1517,1518,1519,
/
#
# 9 ILE QG2 65 PHE QE 3.21 (#peak 596 #SUP 0.89 #QF 0.89)
&rst
ixpk= 596, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 129, 130, 131,
igr2= 953, 957,
/
#
# 89 PHE QE 100 ILE QG2 4.57 (#peak 597 #SUP 0.99 #QF 0.99)
&rst
ixpk= 597, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1346,1350,
igr2=1517,1518,1519,
/
#
# 9 ILE QG2 65 PHE QD 5.69 (#peak 600 #SUP 0.90 #QF 0.32)
&rst
ixpk= 600, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
igr1= 129, 130, 131,
igr2= 951, 959,
/
#
# 63 ILE QG2 64 ASP HA 4.88 (#peak 601 #SUP 0.26 #QF 0.26)
&rst
ixpk= 601, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 918, 919, 920,
/
#
# 93 ASP HA 100 ILE QG2 4.22 (#peak 602 #SUP 1.00)
&rst
ixpk= 602, nxpk= 0, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1517,1518,1519,
/
#
# 100 ILE HA 100 ILE QG2 3.10 (#peak 603 #SUP 0.99 #QF 0.99)
&rst
ixpk= 603, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1517,1518,1519,
/
#
# 68 PHE HZ 72 MET QE 3.89 (#peak 607 #SUP 0.99 #QF 0.99)
&rst
ixpk= 607, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1073,1074,1075,
/
#
# 141 PHE QE 144 MET QE 2.92 (#peak 608 #SUP 0.95 #QF 0.95)
&rst
ixpk= 608, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=2140,2144,
igr2=2194,2195,2196,
/
#
# 141 PHE QD 144 MET QE 2.76 (#peak 609 #SUP 0.97 #QF 0.97)
&rst
ixpk= 609, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=2138,2146,
igr2=2194,2195,2196,
/
#
# 89 PHE QE 145 MET QE 3.10 (#peak 610 #SUP 0.87 #QF 0.69)
&rst
ixpk= 610, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1346,1350,
igr2=2211,2212,2213,
/
#
# 12 PHE QE 76 MET QE 3.54 (#peak 611 #SUP 0.99 #QF 0.99)
&rst
ixpk= 611, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 177, 181,
igr2=1146,1147,1148,
/
#
# 12 PHE HZ 76 MET QE 3.46 (#peak 612 #SUP 0.97 #QF 0.97)
&rst
ixpk= 612, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1146,1147,1148,
/
#
# 145 MET QE 164 ILE QD1 4.91 (#peak 613 #SUP 1.00)
&rst
ixpk= 613, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1=2211,2212,2213,
igr2=2508,2509,2510,
/
#
# 63 ILE QG2 68 PHE QD 3.75 (#peak 615 #SUP 0.89 #QF 0.89)
&rst
ixpk= 615, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 918, 919, 920,
igr2=1000,1008,
/
#
# 16 PHE QE 63 ILE QG2 3.59 (#peak 616 #SUP 0.97 #QF 0.97)
&rst
ixpk= 616, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 244, 248,
igr2= 918, 919, 920,
/
#
# 16 PHE QD 63 ILE QG2 4.99 (#peak 617 #SUP 0.92 #QF 0.92)
&rst
ixpk= 617, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 242, 250,
igr2= 918, 919, 920,
/
#
# 63 ILE QG2 68 PHE QE 5.58 (#peak 618 #SUP 0.87 #QF 0.87)
&rst
ixpk= 618, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1= 918, 919, 920,
igr2=1002,1006,
/
#
# 63 ILE HA 63 ILE QG2 3.10 (#peak 619 #SUP 0.98 #QF 0.98)
&rst
ixpk= 619, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 918, 919, 920,
/
#
# 27 ILE QG2 63 ILE QG2 5.26 (#peak 620 #SUP 0.98 #QF 0.98)
&rst
ixpk= 620, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
igr1= 396, 397, 398,
igr2= 918, 919, 920,
/
#
# 27 ILE QD1 63 ILE QG2 4.09 (#peak 621 #SUP 0.99 #QF 0.99)
&rst
ixpk= 621, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 403, 404, 405,
igr2= 918, 919, 920,
/
#
# 63 ILE QG2 68 PHE HB3 4.04 (#peak 624 #SUP 0.99 #QF 0.99)
&rst
ixpk= 624, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 918, 919, 920,
/
#
# 63 ILE QG2 68 PHE HB2 3.83 (#peak 625 #SUP 0.95 #QF 0.95)
&rst
ixpk= 625, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 918, 919, 920,
/
#
# 63 ILE QG2 68 PHE HA 3.63 (#peak 626 #SUP 0.99 #QF 0.99)
&rst
ixpk= 626, nxpk= 0, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 918, 919, 920,
/
#
# 124 MET QE 141 PHE QE 3.34 (#peak 628 #SUP 0.92 #QF 0.92)
&rst
ixpk= 628, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1889,1890,1891,
igr2=2140,2144,
/
#
# 124 MET QE 141 PHE QD 4.06 (#peak 629 #SUP 0.99 #QF 0.99)
&rst
ixpk= 629, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1889,1890,1891,
igr2=2138,2146,
/
#
# 124 MET QE 168 TYR QD 3.38 (#peak 630 #SUP 0.99 #QF 0.99)
&rst
ixpk= 630, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1889,1890,1891,
igr2=2573,2582,
/
#
# 89 PHE QE 124 MET QE 3.96 (#peak 631 #SUP 0.98 #QF 0.98)
&rst
ixpk= 631, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1346,1350,
igr2=1889,1890,1891,
/
#
# 68 PHE QE 71 MET QE 4.34 (#peak 633 #SUP 0.95 #QF 0.95)
&rst
ixpk= 633, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1002,1006,
igr2=1056,1057,1058,
/
#
# 68 PHE QD 71 MET QE 3.72 (#peak 634 #SUP 0.99 #QF 0.99)
&rst
ixpk= 634, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1000,1008,
igr2=1056,1057,1058,
/
#
# 88 ALA QB 92 PHE HZ 4.67 (#peak 637 #SUP 0.99 #QF 0.99)
&rst
ixpk= 637, nxpk= 0, iat= -1,1408, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1330,1331,1332,
/
#
# 88 ALA QB 92 PHE QD 4.98 (#peak 638 #SUP 0.99 #QF 0.99)
&rst
ixpk= 638, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=1330,1331,1332,
igr2=1404,1412,
/
#
# 92 PHE QD 164 ILE QG2 5.15 (#peak 643 #SUP 0.99 #QF 0.99)
&rst
ixpk= 643, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=1404,1412,
igr2=2501,2502,2503,
/
#
# 141 PHE QE 164 ILE QG2 4.10 (#peak 644 #SUP 0.89 #QF 0.89)
&rst
ixpk= 644, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=2140,2144,
igr2=2501,2502,2503,
/
#
# 141 PHE QD 164 ILE QG2 4.76 (#peak 645 #SUP 0.94 #QF 0.92)
&rst
ixpk= 645, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=2138,2146,
igr2=2501,2502,2503,
/
#
# 89 PHE QE 164 ILE QG2 3.35 (#peak 646 #SUP 1.00)
&rst
ixpk= 646, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1346,1350,
igr2=2501,2502,2503,
/
#
# 89 PHE HZ 164 ILE QG2 3.40 (#peak 647 #SUP 0.95 #QF 0.95)
&rst
ixpk= 647, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=2501,2502,2503,
/
#
# 92 PHE HZ 164 ILE QG2 6.50 (#peak 648 #SUP 1.00)
&rst
ixpk= 648, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=2501,2502,2503,
/
#
# 164 ILE QG2 168 TYR HA 5.43 (#peak 649 #SUP 0.96 #QF 0.96)
&rst
ixpk= 649, nxpk= 0, iat= -1,2567, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=2501,2502,2503,
/
#
# 162 ILE HA 164 ILE QG2 6.50 (#peak 650 #SUP 0.99 #QF 0.99)
&rst
ixpk= 650, nxpk= 0, iat=2459, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=2501,2502,2503,
/
#
# 138 TYR HA 164 ILE QG2 6.13 (#peak 652 #SUP 0.98 #QF 0.98)
&rst
ixpk= 652, nxpk= 0, iat=2081, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr2=2501,2502,2503,
/
#
# 89 PHE HA 164 ILE QG2 5.23 (#peak 653 #SUP 0.97 #QF 0.97)
&rst
ixpk= 653, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=2501,2502,2503,
/
#
# 164 ILE QG2 165 GLN HA 4.28 (#peak 655 #SUP 0.99 #QF 0.99)
&rst
ixpk= 655, nxpk= 0, iat= -1,2516, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=2501,2502,2503,
/
#
# 109 MET HG3 164 ILE QG2 5.14 (#peak 659 #SUP 0.95 #QF 0.95)
&rst
ixpk= 659, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2501,2502,2503,
/
#
# 109 MET HG2 164 ILE QG2 5.14 (#peak 660 #SUP 0.96 #QF 0.90)
&rst
ixpk= 660, nxpk= 0, iat=1659, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2501,2502,2503,
/
#
# 164 ILE QG2 165 GLN HG2 5.38 (#peak 660 #SUP 0.96 #QF 0.90)
&rst
ixpk= 660, nxpk= 0, iat= -1,2521, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=2501,2502,2503,
/
#
# 164 ILE QG2 165 GLN HG3 5.38 (#peak 661 #SUP 0.94 #QF 0.94)
&rst
ixpk= 661, nxpk= 0, iat= -1,2522, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=2501,2502,2503,
/
#
# 145 MET QE 164 ILE QG2 3.20 (#peak 662 #SUP 0.98 #QF 0.98)
&rst
ixpk= 662, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=2211,2212,2213,
igr2=2501,2502,2503,
/
#
# 124 MET QE 164 ILE QG2 2.90 (#peak 664 #SUP 0.99 #QF 0.93)
&rst
ixpk= 664, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1889,1890,1891,
igr2=2501,2502,2503,
/
#
# 161 ALA QB 164 ILE QG2 5.27 (#peak 665 #SUP 0.99 #QF 0.99)
&rst
ixpk= 665, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1=2451,2452,2453,
igr2=2501,2502,2503,
/
#
# 105 LEU QD2 164 ILE QG2 4.01 (#peak 668 #SUP 0.98 #QF 0.98)
&rst
ixpk= 668, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1589,1590,1591,
igr2=2501,2502,2503,
/
#
# 105 LEU QD1 164 ILE QG2 4.01 (#peak 669 #SUP 0.64 #QF 0.64)
&rst
ixpk= 669, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1585,1586,1587,
igr2=2501,2502,2503,
/
#
# 164 ILE QG2 164 ILE HG12 3.89 (#peak 671 #SUP 0.99 #QF 0.99)
&rst
ixpk= 671, nxpk= 0, iat= -1,2505, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=2501,2502,2503,
/
#
# 164 ILE QG2 164 ILE QD1 2.83 (#peak 672 #SUP 1.00)
&rst
ixpk= 672, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=2501,2502,2503,
igr2=2508,2509,2510,
/
#
# 15 ALA QB 19 PHE QE 4.04 (#peak 675 #SUP 0.99 #QF 0.99)
&rst
ixpk= 675, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 228, 229, 230,
igr2= 294, 298,
/
#
# 12 PHE QD 15 ALA QB 3.61 (#peak 676 #SUP 1.00)
&rst
ixpk= 676, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 175, 183,
igr2= 228, 229, 230,
/
#
# 15 ALA QB 68 PHE HZ 4.97 (#peak 677 #SUP 0.99 #QF 0.99)
&rst
ixpk= 677, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 228, 229, 230,
/
#
# 15 ALA QB 19 PHE HZ 5.91 (#peak 678 #SUP 0.96 #QF 0.96)
&rst
ixpk= 678, nxpk= 0, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 228, 229, 230,
/
#
# 15 ALA QB 16 PHE QD 5.22 (#peak 679 #SUP 0.98 #QF 0.98)
&rst
ixpk= 679, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 228, 229, 230,
igr2= 242, 250,
/
#
# 12 PHE HA 15 ALA QB 3.34 (#peak 680 #SUP 0.99 #QF 0.99)
&rst
ixpk= 680, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 228, 229, 230,
/
#
# 15 ALA QB 39 LEU HA 4.38 (#peak 681 #SUP 0.99 #QF 0.99)
&rst
ixpk= 681, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 228, 229, 230,
/
#
# 15 ALA QB 16 PHE HA 4.02 (#peak 683 #SUP 0.99 #QF 0.99)
&rst
ixpk= 683, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 228, 229, 230,
/
#
# 14 GLU HA 15 ALA QB 5.17 (#peak 684 #SUP 0.97 #QF 0.97)
&rst
ixpk= 684, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 228, 229, 230,
/
#
# 15 ALA QB 35 VAL HA 4.42 (#peak 685 #SUP 0.98 #QF 0.98)
&rst
ixpk= 685, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 228, 229, 230,
/
#
# 15 ALA QB 16 PHE HB3 5.11 (#peak 686 #SUP 0.98 #QF 0.98)
&rst
ixpk= 686, nxpk= 0, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 228, 229, 230,
/
#
# 15 ALA QB 16 PHE HB2 5.04 (#peak 687 #SUP 0.97 #QF 0.97)
&rst
ixpk= 687, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 228, 229, 230,
/
#
# 12 PHE HB3 15 ALA QB 5.00 (#peak 688 #SUP 0.99 #QF 0.99)
&rst
ixpk= 688, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 228, 229, 230,
/
#
# 15 ALA QB 39 LEU QD2 2.98 (#peak 691 #SUP 0.92 #QF 0.92)
&rst
ixpk= 691, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 228, 229, 230,
igr2= 595, 596, 597,
/
#
# 15 ALA QB 39 LEU QD1 2.98 (#peak 692 #SUP 0.99 #QF 0.99)
&rst
ixpk= 692, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 228, 229, 230,
igr2= 591, 592, 593,
/
#
# 85 ILE QG2 89 PHE QD 3.17 (#peak 696 #SUP 0.98 #QF 0.98)
&rst
ixpk= 696, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1274,1275,1276,
igr2=1344,1352,
/
#
# 85 ILE QG2 89 PHE QE 3.17 (#peak 697 #SUP 1.00)
&rst
ixpk= 697, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1274,1275,1276,
igr2=1346,1350,
/
#
# 85 ILE QG2 89 PHE HZ 3.97 (#peak 698 #SUP 0.84 #QF 0.84)
&rst
ixpk= 698, nxpk= 0, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1274,1275,1276,
/
#
# 85 ILE QG2 138 TYR QE 5.96 (#peak 699 #SUP 1.00)
&rst
ixpk= 699, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
igr1=1274,1275,1276,
igr2=2089,2094,
/
#
# 85 ILE QG2 164 ILE QD1 3.83 (#peak 701 #SUP 1.00)
&rst
ixpk= 701, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1274,1275,1276,
igr2=2508,2509,2510,
/
#
# 85 ILE QG2 164 ILE QG2 3.80 (#peak 703 #SUP 1.00)
&rst
ixpk= 703, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1274,1275,1276,
igr2=2501,2502,2503,
/
#
# 85 ILE QG2 85 ILE QD1 2.62 (#peak 704 #SUP 1.00)
&rst
ixpk= 704, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1274,1275,1276,
igr2=1281,1282,1283,
/
#
# 85 ILE QG2 167 ALA QB 3.43 (#peak 706 #SUP 1.00)
&rst
ixpk= 706, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1274,1275,1276,
igr2=2559,2560,2561,
/
#
# 85 ILE QG2 89 PHE HB3 4.93 (#peak 708 #SUP 0.98 #QF 0.98)
&rst
ixpk= 708, nxpk= 0, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1274,1275,1276,
/
#
# 85 ILE HA 85 ILE QG2 3.16 (#peak 710 #SUP 1.00)
&rst
ixpk= 710, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1274,1275,1276,
/
#
# 85 ILE QG2 86 ARG HA 3.88 (#peak 711 #SUP 0.99 #QF 0.99)
&rst
ixpk= 711, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1274,1275,1276,
/
#
# 82 GLU HA 85 ILE QG2 4.74 (#peak 712 #SUP 0.98 #QF 0.98)
&rst
ixpk= 712, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1274,1275,1276,
/
#
# 128 ALA QB 141 PHE QE 4.16 (#peak 713 #SUP 0.98 #QF 0.98)
&rst
ixpk= 713, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1957,1958,1959,
igr2=2140,2144,
/
#
# 128 ALA QB 141 PHE QD 4.04 (#peak 714 #SUP 0.97 #QF 0.97)
&rst
ixpk= 714, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1957,1958,1959,
igr2=2138,2146,
/
#
# 125 ILE HA 128 ALA QB 4.20 (#peak 716 #SUP 0.54 #QF 0.54)
&rst
ixpk= 716, nxpk= 0, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1957,1958,1959,
/
#
# 128 ALA QB 136 VAL HB 4.41 (#peak 717 #SUP 0.96 #QF 0.96)
&rst
ixpk= 717, nxpk= 0, iat= -1,2053, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1957,1958,1959,
/
#
# 128 ALA QB 136 VAL HA 4.78 (#peak 718 #SUP 0.77 #QF 0.77)
&rst
ixpk= 718, nxpk= 0, iat= -1,2051, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1957,1958,1959,
/
#
# 99 TYR QD 136 VAL QG1 5.40 (#peak 722 #SUP 0.95 #QF 0.93)
&rst
ixpk= 722, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1498,1507,
igr2=2055,2056,2057,
/
#
# 99 TYR HA 136 VAL QG1 6.50 (#peak 724 #SUP 1.00)
&rst
ixpk= 724, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=2055,2056,2057,
/
#
# 136 VAL HA 136 VAL QG1 3.23 (#peak 728 #SUP 1.00)
&rst
ixpk= 728, nxpk= 0, iat=2051, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=2055,2056,2057,
/
#
# 99 TYR QD 136 VAL QG2 5.40 (#peak 736 #SUP 0.90 #QF 0.90)
&rst
ixpk= 736, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1498,1507,
igr2=2059,2060,2061,
/
#
# 129 ASP HA 136 VAL QG2 4.85 (#peak 738 #SUP 0.95 #QF 0.95)
&rst
ixpk= 738, nxpk= 0, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=2059,2060,2061,
/
#
# 92 PHE HZ 108 VAL QG2 4.71 (#peak 739 #SUP 0.99 #QF 0.99)
&rst
ixpk= 739, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1646,1647,1648,
/
#
# 92 PHE QD 108 VAL QG2 3.75 (#peak 740 #SUP 0.99 #QF 0.99)
&rst
ixpk= 740, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1404,1412,
igr2=1646,1647,1648,
/
#
# 92 PHE QE 108 VAL QG2 3.90 (#peak 742 #SUP 1.00)
&rst
ixpk= 742, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1406,1410,
igr2=1646,1647,1648,
/
#
# 92 PHE HZ 108 VAL QG1 4.71 (#peak 743 #SUP 1.00)
&rst
ixpk= 743, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1642,1643,1644,
/
#
# 92 PHE QD 108 VAL QG1 3.75 (#peak 744 #SUP 0.99 #QF 0.99)
&rst
ixpk= 744, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1404,1412,
igr2=1642,1643,1644,
/
#
# 107 HIS HD2 108 VAL QG1 4.11 (#peak 745 #SUP 0.99 #QF 0.99)
&rst
ixpk= 745, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1642,1643,1644,
/
#
# 92 PHE QE 108 VAL QG1 3.90 (#peak 746 #SUP 1.00)
&rst
ixpk= 746, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1406,1410,
igr2=1642,1643,1644,
/
#
# 108 VAL QG1 109 MET HA 5.07 (#peak 749 #SUP 1.00)
&rst
ixpk= 749, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1642,1643,1644,
/
#
# 16 PHE HZ 26 THR QG2 4.28 (#peak 751 #SUP 1.00)
&rst
ixpk= 751, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 382, 383, 384,
/
#
# 16 PHE QE 26 THR QG2 4.68 (#peak 752 #SUP 1.00)
&rst
ixpk= 752, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 244, 248,
igr2= 382, 383, 384,
/
#
# 26 THR HA 26 THR QG2 2.80 (#peak 753 #SUP 0.88 #QF 0.88)
&rst
ixpk= 753, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 382, 383, 384,
/
#
# 62 THR HA 62 THR QG2 2.76 (#peak 754 #SUP 0.98 #QF 0.98)
&rst
ixpk= 754, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 904, 905, 906,
/
#
# 28 THR HA 62 THR QG2 3.19 (#peak 755 #SUP 1.00)
&rst
ixpk= 755, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 904, 905, 906,
/
#
# 19 PHE QD 35 VAL QG2 3.71 (#peak 759 #SUP 0.69 #QF 0.45)
&rst
ixpk= 759, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 292, 300,
igr2= 524, 525, 526,
/
#
# 19 PHE QE 35 VAL QG2 3.99 (#peak 759 #SUP 0.69 #QF 0.45)
&rst
ixpk= 759, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 294, 298,
igr2= 524, 525, 526,
/
#
# 16 PHE QD 35 VAL QG2 4.33 (#peak 760 #SUP 0.96 #QF 0.96)
&rst
ixpk= 760, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 242, 250,
igr2= 524, 525, 526,
/
#
# 89 PHE QE 105 LEU QD2 3.57 (#peak 762 #SUP 0.72 #QF 0.72)
&rst
ixpk= 762, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=1346,1350,
igr2=1589,1590,1591,
/
#
# 19 PHE QD 35 VAL QG1 3.71 (#peak 765 #SUP 1.00)
&rst
ixpk= 765, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 292, 300,
igr2= 520, 521, 522,
/
#
# 35 VAL QG1 68 PHE QE 4.71 (#peak 767 #SUP 1.00)
&rst
ixpk= 767, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 520, 521, 522,
igr2=1002,1006,
/
#
# 16 PHE QD 35 VAL QG1 4.33 (#peak 770 #SUP 0.97 #QF 0.97)
&rst
ixpk= 770, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 242, 250,
igr2= 520, 521, 522,
/
#
# 35 VAL QG1 38 SER HB2 6.50 (#peak 775 #SUP 0.96 #QF 0.96)
&rst
ixpk= 775, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 520, 521, 522,
/
#
# 16 PHE HA 35 VAL QG1 3.46 (#peak 777 #SUP 0.98 #QF 0.94)
&rst
ixpk= 777, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 520, 521, 522,
/
#
# 16 PHE HB2 35 VAL QG1 5.03 (#peak 780 #SUP 1.00)
&rst
ixpk= 780, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 520, 521, 522,
/
#
# 35 VAL QG1 36 MET HG3 5.37 (#peak 781 #SUP 0.97 #QF 0.97)
&rst
ixpk= 781, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 520, 521, 522,
/
#
# 27 ILE QD1 35 VAL QG1 3.41 (#peak 789 #SUP 1.00)
&rst
ixpk= 789, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 403, 404, 405,
igr2= 520, 521, 522,
/
#
# 27 ILE QG2 35 VAL QG1 4.31 (#peak 790 #SUP 1.00)
&rst
ixpk= 790, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 396, 397, 398,
igr2= 520, 521, 522,
/
#
# 19 PHE QE 34 THR QG2 2.98 (#peak 793 #SUP 0.99 #QF 0.48)
&rst
ixpk= 793, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 294, 298,
igr2= 506, 507, 508,
/
#
# 4 LEU QD1 12 PHE QE 3.49 (#peak 800 #SUP 0.99 #QF 0.99)
&rst
ixpk= 800, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 52, 53, 54,
igr2= 177, 181,
/
#
# 4 LEU QD1 12 PHE HZ 5.24 (#peak 801 #SUP 0.97 #QF 0.97)
&rst
ixpk= 801, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 52, 53, 54,
/
#
# 4 LEU QD1 12 PHE QD 4.09 (#peak 802 #SUP 0.90 #QF 0.90)
&rst
ixpk= 802, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 52, 53, 54,
igr2= 175, 183,
/
#
# 65 PHE HZ 69 LEU QD2 4.09 (#peak 804 #SUP 0.99 #QF 0.99)
&rst
ixpk= 804, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1025,1026,1027,
/
#
# 12 PHE QD 69 LEU QD2 3.39 (#peak 805 #SUP 0.99 #QF 0.91)
&rst
ixpk= 805, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 175, 183,
igr2=1025,1026,1027,
/
#
# 65 PHE QE 69 LEU QD2 3.62 (#peak 805 #SUP 0.99 #QF 0.91)
&rst
ixpk= 805, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 953, 957,
igr2=1025,1026,1027,
/
#
# 65 PHE QD 69 LEU QD2 4.21 (#peak 807 #SUP 0.98 #QF 0.98)
&rst
ixpk= 807, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 951, 959,
igr2=1025,1026,1027,
/
#
# 89 PHE QE 142 VAL QG2 3.93 (#peak 811 #SUP 1.00)
&rst
ixpk= 811, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1346,1350,
igr2=2160,2161,2162,
/
#
# 16 PHE QE 27 ILE HG12 4.01 (#peak 817 #SUP 0.99 #QF 0.99)
&rst
ixpk= 817, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 244, 248,
/
#
# 12 PHE QD 69 LEU HG 4.87 (#peak 822 #SUP 0.95 #QF 0.63)
&rst
ixpk= 822, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 175, 183,
/
#
# 65 PHE QE 69 LEU HG 5.55 (#peak 822 #SUP 0.95 #QF 0.63)
&rst
ixpk= 822, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 953, 957,
/
#
# 65 PHE HZ 69 LEU QD1 4.09 (#peak 826 #SUP 0.98 #QF 0.98)
&rst
ixpk= 826, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1021,1022,1023,
/
#
# 12 PHE QE 69 LEU QD1 4.50 (#peak 827 #SUP 0.88 #QF 0.88)
&rst
ixpk= 827, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 177, 181,
igr2=1021,1022,1023,
/
#
# 12 PHE QD 69 LEU QD1 3.39 (#peak 828 #SUP 0.99 #QF 0.82)
&rst
ixpk= 828, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 175, 183,
igr2=1021,1022,1023,
/
#
# 65 PHE QE 69 LEU QD1 3.62 (#peak 828 #SUP 0.99 #QF 0.82)
&rst
ixpk= 828, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 953, 957,
igr2=1021,1022,1023,
/
#
# 168 TYR QD 172 LEU QD2 3.94 (#peak 829 #SUP 0.89 #QF 0.89)
&rst
ixpk= 829, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=2573,2582,
igr2=2668,2669,2670,
/
#
# 168 TYR QE 172 LEU QD2 3.26 (#peak 830 #SUP 0.97 #QF 0.97)
&rst
ixpk= 830, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=2575,2580,
igr2=2668,2669,2670,
/
#
# 65 PHE QD 69 LEU QD1 4.21 (#peak 831 #SUP 0.98 #QF 0.98)
&rst
ixpk= 831, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 951, 959,
igr2=1021,1022,1023,
/
#
# 168 TYR QD 172 LEU HG 4.52 (#peak 834 #SUP 1.00 #QF 0.42)
&rst
ixpk= 834, nxpk= 0, iat= -1,2662, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=2573,2582,
/
#
# 18 LEU HG 19 PHE QD 5.46 (#peak 841 #SUP 1.00)
&rst
ixpk= 841, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2= 292, 300,
/
#
# 18 LEU HG 19 PHE QE 5.84 (#peak 841 #SUP 1.00)
&rst
ixpk= 841, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 294, 298,
/
#
# 12 PHE QE 39 LEU HG 5.20 (#peak 842 #SUP 0.92 #QF 0.92)
&rst
ixpk= 842, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 177, 181,
/
#
# 89 PHE QD 105 LEU HG 5.89 (#peak 844 #SUP 0.68 #QF 0.68)
&rst
ixpk= 844, nxpk= 0, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1344,1352,
/
#
# 89 PHE QE 105 LEU HG 5.12 (#peak 845 #SUP 0.98 #QF 0.98)
&rst
ixpk= 845, nxpk= 0, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1346,1350,
/
#
# 12 PHE QD 39 LEU HG 5.42 (#peak 846 #SUP 0.90 #QF 0.90)
&rst
ixpk= 846, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 175, 183,
/
#
# 4 LEU QD2 12 PHE QE 3.49 (#peak 847 #SUP 1.00)
&rst
ixpk= 847, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 56, 57, 58,
igr2= 177, 181,
/
#
# 4 LEU QD2 12 PHE HZ 5.24 (#peak 848 #SUP 0.97 #QF 0.97)
&rst
ixpk= 848, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 56, 57, 58,
/
#
# 4 LEU QD2 12 PHE QD 4.09 (#peak 849 #SUP 1.00)
&rst
ixpk= 849, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 56, 57, 58,
igr2= 175, 183,
/
#
# 32 LEU HG 68 PHE QE 5.73 (#peak 850 #SUP 0.96 #QF 0.96)
&rst
ixpk= 850, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1002,1006,
/
#
# 32 LEU HG 68 PHE QD 5.10 (#peak 851 #SUP 0.96 #QF 0.96)
&rst
ixpk= 851, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1000,1008,
/
#
# 16 PHE QE 32 LEU HG 6.40 (#peak 854 #SUP 1.00 #QF 0.24)
&rst
ixpk= 854, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 244, 248,
/
#
# 16 PHE QE 63 ILE HG13 6.50 (#peak 854 #SUP 1.00 #QF 0.24)
&rst
ixpk= 854, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 244, 248,
/
#
# 92 PHE QD 100 ILE HG13 5.88 (#peak 856 #SUP 0.99 #QF 0.99)
&rst
ixpk= 856, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1404,1412,
/
#
# 89 PHE QD 100 ILE HG12 4.97 (#peak 858 #SUP 0.89 #QF 0.89)
&rst
ixpk= 858, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1344,1352,
/
#
# 89 PHE QE 100 ILE HG12 6.06 (#peak 859 #SUP 0.94 #QF 0.94)
&rst
ixpk= 859, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1346,1350,
/
#
# 10 ALA HA 13 LYS HD2 5.86 (#peak 865 #SUP 0.99 #QF 0.99)
&rst
ixpk= 865, nxpk= 0, iat= 144, 197, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, /
#
# 10 ALA HA 13 LYS HD3 5.86 (#peak 866 #SUP 0.99 #QF 0.99)
&rst
ixpk= 866, nxpk= 0, iat= 144, 198, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, /
#
# 13 LYS HD2 65 PHE QD 5.07 (#peak 868 #SUP 0.91 #QF 0.91)
&rst
ixpk= 868, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 951, 959,
/
#
# 13 LYS HD3 65 PHE QE 4.89 (#peak 869 #SUP 1.00)
&rst
ixpk= 869, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 953, 957,
/
#
# 13 LYS HD2 65 PHE QE 4.89 (#peak 870 #SUP 1.00)
&rst
ixpk= 870, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 953, 957,
/
#
# 13 LYS HD3 65 PHE HZ 5.47 (#peak 871 #SUP 0.99 #QF 0.99)
&rst
ixpk= 871, nxpk= 0, iat= 198, 955, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, /
#
# 13 LYS HD2 65 PHE HZ 5.47 (#peak 872 #SUP 1.00)
&rst
ixpk= 872, nxpk= 0, iat= 197, 955, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, /
#
# 65 PHE QD 66 PRO HG2 5.22 (#peak 874 #SUP 0.91 #QF 0.91)
&rst
ixpk= 874, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 951, 959,
/
#
# 123 GLU HB2 168 TYR QE 5.53 (#peak 880 #SUP 0.91 #QF 0.91)
&rst
ixpk= 880, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=2575,2580,
/
#
# 37 ARG HD3 42 ASN HA 4.80 (#peak 882 #SUP 0.87 #QF 0.87)
&rst
ixpk= 882, nxpk= 0, iat= 558, 627, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, /
#
# 8 GLN HB2 9 ILE QD1 4.62 (#peak 889 #SUP 0.80 #QF 0.65)
&rst
ixpk= 889, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 136, 137, 138,
/
#
# 123 GLU HA 123 GLU HB2 2.81 (#peak 892 #SUP 0.80 #QF 0.80)
&rst
ixpk= 892, nxpk= 0, iat=1865,1867, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, /
#
# 12 PHE HB2 65 PHE QE 4.28 (#peak 901 #SUP 1.00)
&rst
ixpk= 901, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 953, 957,
/
#
# 12 PHE HB2 68 PHE QD 5.12 (#peak 902 #SUP 0.99 #QF 0.99)
&rst
ixpk= 902, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1000,1008,
/
#
# 12 PHE HB2 65 PHE HZ 4.65 (#peak 903 #SUP 0.96 #QF 0.96)
&rst
ixpk= 903, nxpk= 0, iat= 171, 955, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, /
#
# 12 PHE HB2 65 PHE QD 5.64 (#peak 905 #SUP 0.95 #QF 0.95)
&rst
ixpk= 905, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 951, 959,
/
#
# 12 PHE HB3 65 PHE QD 5.32 (#peak 910 #SUP 0.97 #QF 0.97)
&rst
ixpk= 910, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 951, 959,
/
#
# 12 PHE HB2 72 MET HG3 6.27 (#peak 917 #SUP 0.97 #QF 0.69)
&rst
ixpk= 917, nxpk= 0, iat= 171,1070, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, /
#
# 9 ILE QG2 12 PHE HB2 4.87 (#peak 918 #SUP 0.96 #QF 0.96)
&rst
ixpk= 918, nxpk= 0, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 129, 130, 131,
/
#
# 12 PHE HB3 39 LEU QD2 5.09 (#peak 920 #SUP 0.64 #QF 0.64)
&rst
ixpk= 920, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 595, 596, 597,
/
#
# 12 PHE HB3 39 LEU QD1 5.09 (#peak 921 #SUP 1.00 #QF 0.99)
&rst
ixpk= 921, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 591, 592, 593,
/
#
# 12 PHE HB3 72 MET HG3 5.46 (#peak 921 #SUP 1.00 #QF 0.99)
&rst
ixpk= 921, nxpk= 0, iat= 172,1070, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, /
#
# 12 PHE HB3 69 LEU HG 5.61 (#peak 922 #SUP 0.81 #QF 0.48)
&rst
ixpk= 922, nxpk= 0, iat= 172,1019, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, /
#
# 106 ARG HA 109 MET HB2 3.67 (#peak 928 #SUP 0.98 #QF 0.98)
&rst
ixpk= 928, nxpk= 0, iat=1597,1656, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, /
#
# 106 ARG HA 109 MET HB3 4.75 (#peak 931 #SUP 0.99 #QF 0.99)
&rst
ixpk= 931, nxpk= 0, iat=1597,1657, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, /
#
# 19 PHE QD 31 GLU HA 5.04 (#peak 944 #SUP 0.99 #QF 0.99)
&rst
ixpk= 944, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 292, 300,
/
#
# 27 ILE QD1 31 GLU HA 5.02 (#peak 945 #SUP 1.00)
&rst
ixpk= 945, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 403, 404, 405,
/
#
# 63 ILE HA 67 GLU HB3 4.66 (#peak 949 #SUP 1.00)
&rst
ixpk= 949, nxpk= 0, iat= 914, 982, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, /
#
# 67 GLU HB3 70 THR QG2 4.96 (#peak 950 #SUP 0.98 #QF 0.98)
&rst
ixpk= 950, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1037,1038,1039,
/
#
# 63 ILE QG2 67 GLU HB3 3.66 (#peak 951 #SUP 1.00)
&rst
ixpk= 951, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 918, 919, 920,
/
#
# 55 VAL QG1 67 GLU HB3 5.36 (#peak 952 #SUP 0.99 #QF 0.92)
&rst
ixpk= 952, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 826, 827, 828,
/
#
# 55 VAL QG2 67 GLU HB3 5.36 (#peak 952 #SUP 0.99 #QF 0.92)
&rst
ixpk= 952, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 830, 831, 832,
/
#
# 63 ILE QD1 67 GLU HB3 5.02 (#peak 953 #SUP 1.00)
&rst
ixpk= 953, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 925, 926, 927,
/
#
# 67 GLU HA 67 GLU HG3 3.31 (#peak 955 #SUP 0.72 #QF 0.72)
&rst
ixpk= 955, nxpk= 0, iat= 979, 985, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, /
#
# 90 ARG HA 138 TYR QE 3.87 (#peak 957 #SUP 0.99 #QF 0.99)
&rst
ixpk= 957, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=2089,2094,
/
#
# 90 ARG HA 138 TYR QD 5.24 (#peak 958 #SUP 0.83 #QF 0.83)
&rst
ixpk= 958, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2087,2096,
/
#
# 90 ARG HA 93 ASP HB3 3.43 (#peak 959 #SUP 0.93 #QF 0.93)
&rst
ixpk= 959, nxpk= 0, iat=1358,1421, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, /
#
# 90 ARG HA 93 ASP HB2 3.43 (#peak 960 #SUP 0.91 #QF 0.91)
&rst
ixpk= 960, nxpk= 0, iat=1358,1420, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, /
#
# 154 ARG HA 157 GLU HG3 4.87 (#peak 964 #SUP 0.77 #QF 0.77)
&rst
ixpk= 964, nxpk= 0, iat=2329,2398, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, /
#
# 92 PHE QD 157 GLU HG2 4.62 (#peak 967 #SUP 0.99 #QF 0.99)
&rst
ixpk= 967, nxpk= 0, iat= -1,2397, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1404,1412,
/
#
# 92 PHE HA 92 PHE QD 2.99 (#peak 971 #SUP 0.99 #QF 0.99)
&rst
ixpk= 971, nxpk= 0, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1404,1412,
/
#
# 92 PHE HA 92 PHE QE 4.46 (#peak 972 #SUP 1.00)
&rst
ixpk= 972, nxpk= 0, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1406,1410,
/
#
# 92 PHE HA 100 ILE QD1 5.02 (#peak 976 #SUP 1.00)
&rst
ixpk= 976, nxpk= 0, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1524,1525,1526,
/
#
# 92 PHE HA 100 ILE QG2 5.64 (#peak 977 #SUP 0.86 #QF 0.86)
&rst
ixpk= 977, nxpk= 0, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2=1517,1518,1519,
/
#
# 92 PHE HA 108 VAL QG2 5.37 (#peak 979 #SUP 0.99 #QF 0.99)
&rst
ixpk= 979, nxpk= 0, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1646,1647,1648,
/
#
# 92 PHE HA 100 ILE HG12 5.75 (#peak 981 #SUP 0.98 #QF 0.94)
&rst
ixpk= 981, nxpk= 0, iat=1398,1521, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, /
#
# 92 PHE HA 93 ASP HA 5.00 (#peak 982 #SUP 0.87 #QF 0.87)
&rst
ixpk= 982, nxpk= 0, iat=1398,1418, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 92 PHE QE 157 GLU HB3 4.18 (#peak 989 #SUP 0.99 #QF 0.99)
&rst
ixpk= 989, nxpk= 0, iat= -1,2395, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1406,1410,
/
#
# 92 PHE QE 157 GLU HB2 3.95 (#peak 990 #SUP 1.00)
&rst
ixpk= 990, nxpk= 0, iat= -1,2394, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1406,1410,
/
#
# 138 TYR QE 139 GLU HA 4.19 (#peak 1005 #SUP 0.65 #QF 0.65)
&rst
ixpk= 1005, nxpk= 0, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=2089,2094,
/
#
# 138 TYR QD 139 GLU HA 3.47 (#peak 1006 #SUP 0.43 #QF 0.43)
&rst
ixpk= 1006, nxpk= 0, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=2087,2096,
/
#
# 104 GLU HA 107 HIS HB3 3.19 (#peak 1011 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1011, nxpk= 0, iat=1563,1624, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, /
#
# 104 GLU HA 107 HIS HB2 3.93 (#peak 1012 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1012, nxpk= 0, iat=1563,1623, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, /
#
# 162 ILE HA 165 GLN HB3 4.32 (#peak 1016 #SUP 1.00)
&rst
ixpk= 1016, nxpk= 0, iat=2459,2519, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, /
#
# 162 ILE HA 165 GLN HA 5.16 (#peak 1026 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1026, nxpk= 0, iat=2459,2516, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, /
#
# 46 ALA QB 49 GLN HB3 4.53 (#peak 1038 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1038, nxpk= 0, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 686, 687, 688,
/
#
# 120 GLU HG2 168 TYR QD 5.61 (#peak 1042 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1042, nxpk= 0, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=2573,2582,
/
#
# 120 GLU HG2 168 TYR QE 5.14 (#peak 1043 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1043, nxpk= 0, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=2575,2580,
/
#
# 120 GLU HA 120 GLU HG2 3.82 (#peak 1044 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1044, nxpk= 0, iat=1822,1827, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, /
#
# 120 GLU HA 120 GLU HG3 4.13 (#peak 1045 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1045, nxpk= 0, iat=1822,1828, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, /
#
# 116 LEU HB2 120 GLU HG2 4.94 (#peak 1046 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1046, nxpk= 0, iat=1764,1827, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, /
#
# 116 LEU HA 120 GLU HG3 6.17 (#peak 1052 #SUP 1.00)
&rst
ixpk= 1052, nxpk= 0, iat=1762,1828, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, /
#
# 135 GLN HA 135 GLN HG3 3.33 (#peak 1062 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1062, nxpk= 0, iat=2034,2040, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, /
#
# 135 GLN HA 135 GLN HG2 3.57 (#peak 1063 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1063, nxpk= 0, iat=2034,2039, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, /
#
# 99 TYR QD 135 GLN HA 4.56 (#peak 1072 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1072, nxpk= 0, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1498,1507,
/
#
# 80 ASP HA 163 ILE QG2 5.66 (#peak 1080 #SUP 1.00)
&rst
ixpk= 1080, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2=2482,2483,2484,
/
#
# 143 GLN HA 143 GLN HG3 4.02 (#peak 1082 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1082, nxpk= 0, iat=2168,2174, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, /
#
# 143 GLN HA 143 GLN HG2 4.02 (#peak 1083 #SUP 0.74 #QF 0.38)
&rst
ixpk= 1083, nxpk= 0, iat=2168,2173, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, /
#
# 33 GLY HA2 48 LEU QD1 3.42 (#peak 1088 #SUP 0.96 #QF 0.72)
&rst
ixpk= 1088, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 716, 717, 718,
/
#
# 33 GLY HA3 36 MET HG3 5.35 (#peak 1094 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1094, nxpk= 0, iat= 496, 538, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, /
#
# 33 GLY HA3 36 MET HG2 6.30 (#peak 1095 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1095, nxpk= 0, iat= 496, 537, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, /
#
# 33 GLY HA2 36 MET HB2 4.25 (#peak 1098 #SUP 0.78 #QF 0.72)
&rst
ixpk= 1098, nxpk= 0, iat= 495, 534, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, /
#
# 33 GLY HA2 36 MET QE 4.67 (#peak 1100 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1100, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 541, 542, 543,
/
#
# 32 LEU HB3 33 GLY HA3 4.87 (#peak 1103 #SUP 0.92 #QF 0.89)
&rst
ixpk= 1103, nxpk= 0, iat= 479, 496, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, /
#
# 33 GLY HA3 36 MET HB3 5.60 (#peak 1103 #SUP 0.92 #QF 0.89)
&rst
ixpk= 1103, nxpk= 0, iat= 496, 535, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, /
#
# 33 GLY HA3 36 MET QE 6.05 (#peak 1104 #SUP 1.00)
&rst
ixpk= 1104, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2= 541, 542, 543,
/
#
# 33 GLY HA2 48 LEU HG 5.47 (#peak 1105 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1105, nxpk= 0, iat= 495, 714, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, /
#
# 32 LEU HG 33 GLY HA2 5.48 (#peak 1106 #SUP 0.97 #QF 0.94)
&rst
ixpk= 1106, nxpk= 0, iat= 481, 495, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, /
#
# 32 LEU HG 33 GLY HA3 6.50 (#peak 1107 #SUP 0.97 #QF 0.87)
&rst
ixpk= 1107, nxpk= 0, iat= 481, 496, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 33 GLY HA3 48 LEU HG 5.92 (#peak 1108 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1108, nxpk= 0, iat= 496, 714, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, /
#
# 32 LEU QD2 33 GLY HA2 5.97 (#peak 1109 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1109, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 487, 488, 489,
/
#
# 32 LEU QD2 33 GLY HA3 6.50 (#peak 1110 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1110, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 487, 488, 489,
/
#
# 32 LEU QD1 33 GLY HA2 5.97 (#peak 1112 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1112, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 483, 484, 485,
/
#
# 32 LEU QD1 33 GLY HA3 6.50 (#peak 1113 #SUP 1.00)
&rst
ixpk= 1113, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 483, 484, 485,
/
#
# 33 GLY HA2 43 PRO HD3 5.36 (#peak 1114 #SUP 1.00)
&rst
ixpk= 1114, nxpk= 0, iat= 495, 641, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, /
#
# 33 GLY HA3 43 PRO HD3 5.79 (#peak 1115 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1115, nxpk= 0, iat= 496, 641, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, /
#
# 11 GLU HB3 12 PHE QD 4.18 (#peak 1116 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1116, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 175, 183,
/
#
# 65 PHE QD 66 PRO HB2 6.21 (#peak 1118 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1118, nxpk= 0, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 951, 959,
/
#
# 41 GLN HG2 72 MET QE 4.96 (#peak 1125 #SUP 0.75 #QF 0.40)
&rst
ixpk= 1125, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1073,1074,1075,
/
#
# 166 ARG HA 166 ARG HD2 4.81 (#peak 1149 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1149, nxpk= 0, iat=2533,2541, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, /
#
# 99 TYR QD 100 ILE HB 5.62 (#peak 1156 #SUP 1.00 #QF 0.95)
&rst
ixpk= 1156, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1498,1507,
/
#
# 100 ILE HB 138 TYR QE 6.11 (#peak 1156 #SUP 1.00 #QF 0.95)
&rst
ixpk= 1156, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2=2089,2094,
/
#
# 100 ILE HB 138 TYR QD 3.96 (#peak 1157 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1157, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=2087,2096,
/
#
# 93 ASP HA 100 ILE HB 5.49 (#peak 1159 #SUP 1.00)
&rst
ixpk= 1159, nxpk= 0, iat=1418,1515, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, /
#
# 89 PHE QD 100 ILE HB 5.00 (#peak 1160 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1160, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1344,1352,
/
#
# 89 PHE QE 100 ILE HB 5.55 (#peak 1161 #SUP 1.00)
&rst
ixpk= 1161, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1346,1350,
/
#
# 92 PHE QD 100 ILE HB 6.17 (#peak 1162 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1162, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1404,1412,
/
#
# 4 LEU HB3 12 PHE QE 5.44 (#peak 1163 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1163, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 177, 181,
/
#
# 4 LEU HB2 12 PHE QE 5.44 (#peak 1164 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1164, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 177, 181,
/
#
# 89 PHE HZ 100 ILE HB 6.50 (#peak 1176 #SUP 0.51 #QF 0.51)
&rst
ixpk= 1176, nxpk= 0, iat=1348,1515, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 16 PHE HZ 26 THR HB 4.27 (#peak 1178 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1178, nxpk= 0, iat= 246, 380, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, /
#
# 16 PHE QE 26 THR HB 4.76 (#peak 1179 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1179, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 244, 248,
/
#
# 26 THR HA 26 THR HB 3.00 (#peak 1180 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1180, nxpk= 0, iat= 378, 380, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 26 THR HB 27 ILE HA 5.06 (#peak 1181 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1181, nxpk= 0, iat= 380, 392, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, /
#
# 26 THR HB 64 ASP HB2 5.84 (#peak 1182 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1182, nxpk= 0, iat= 380, 935, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, /
#
# 26 THR HB 64 ASP HB3 5.17 (#peak 1183 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1183, nxpk= 0, iat= 380, 936, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, /
#
# 26 THR HB 27 ILE QG2 5.09 (#peak 1186 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1186, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 396, 397, 398,
/
#
# 28 THR HA 62 THR HB 4.10 (#peak 1187 #SUP 1.00)
&rst
ixpk= 1187, nxpk= 0, iat= 411, 902, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, /
#
# 62 THR HA 62 THR HB 2.99 (#peak 1188 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1188, nxpk= 0, iat= 900, 902, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, /
#
# 27 ILE HA 62 THR HB 5.52 (#peak 1189 #SUP 0.59 #QF 0.59)
&rst
ixpk= 1189, nxpk= 0, iat= 392, 902, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, /
#
# 62 THR HB 63 ILE HA 4.41 (#peak 1190 #SUP 0.68 #QF 0.68)
&rst
ixpk= 1190, nxpk= 0, iat= 902, 914, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, /
#
# 28 THR QG2 62 THR HB 4.71 (#peak 1192 #SUP 1.00)
&rst
ixpk= 1192, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 415, 416, 417,
/
#
# 117 THR HA 117 THR HB 2.98 (#peak 1197 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1197, nxpk= 0, iat=1781,1783, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, /
#
# 19 PHE QD 34 THR HB 4.08 (#peak 1205 #SUP 1.00)
&rst
ixpk= 1205, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 292, 300,
/
#
# 19 PHE HZ 34 THR HB 5.01 (#peak 1206 #SUP 1.00)
&rst
ixpk= 1206, nxpk= 0, iat= 296, 504, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, /
#
# 31 GLU HA 34 THR HB 3.42 (#peak 1208 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1208, nxpk= 0, iat= 461, 504, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, /
#
# 89 PHE QD 142 VAL HA 5.28 (#peak 1217 #SUP 1.00 #QF 0.92)
&rst
ixpk= 1217, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1344,1352,
/
#
# 89 PHE QE 142 VAL HA 4.43 (#peak 1218 #SUP 1.00)
&rst
ixpk= 1218, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1346,1350,
/
#
# 89 PHE HZ 142 VAL HA 5.44 (#peak 1219 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1219, nxpk= 0, iat=1348,2152, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, /
#
# 138 TYR QD 142 VAL HA 5.97 (#peak 1220 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1220, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=2087,2096,
/
#
# 141 PHE QE 142 VAL HA 5.96 (#peak 1221 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1221, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=2140,2144,
/
#
# 142 VAL HA 146 THR HA 6.50 (#peak 1222 #SUP 0.97 #QF 0.95)
&rst
ixpk= 1222, nxpk= 0, iat=2152,2219, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 142 VAL HA 146 THR HB 6.50 (#peak 1222 #SUP 0.97 #QF 0.95)
&rst
ixpk= 1222, nxpk= 0, iat=2152,2221, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 141 PHE HA 142 VAL HA 5.48 (#peak 1223 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1223, nxpk= 0, iat=2132,2152, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, /
#
# 142 VAL HA 143 GLN HA 4.89 (#peak 1225 #SUP 0.71 #QF 0.71)
&rst
ixpk= 1225, nxpk= 0, iat=2152,2168, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, /
#
# 85 ILE HA 142 VAL HA 6.50 (#peak 1227 #SUP 1.00)
&rst
ixpk= 1227, nxpk= 0, iat=1270,2152, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 142 VAL HA 144 MET HB3 6.18 (#peak 1232 #SUP 0.86 #QF 0.73)
&rst
ixpk= 1232, nxpk= 0, iat=2152,2188, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, /
#
# 142 VAL HA 145 MET QE 3.28 (#peak 1234 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1234, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=2211,2212,2213,
/
#
# 142 VAL HA 167 ALA QB 5.12 (#peak 1235 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1235, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=2559,2560,2561,
/
#
# 142 VAL HA 142 VAL QG2 3.17 (#peak 1236 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1236, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=2160,2161,2162,
/
#
# 85 ILE QG2 142 VAL HA 3.38 (#peak 1237 #SUP 1.00)
&rst
ixpk= 1237, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1274,1275,1276,
/
#
# 142 VAL HA 164 ILE QG2 6.42 (#peak 1240 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1240, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr2=2501,2502,2503,
/
#
# 9 ILE HA 65 PHE HZ 4.25 (#peak 1241 #SUP 1.00)
&rst
ixpk= 1241, nxpk= 0, iat= 125, 955, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, /
#
# 9 ILE HA 65 PHE QD 6.50 (#peak 1243 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1243, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 951, 959,
/
#
# 65 PHE QE 66 PRO HA 5.29 (#peak 1244 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1244, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 953, 957,
/
#
# 65 PHE QD 66 PRO HA 5.09 (#peak 1245 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1245, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 951, 959,
/
#
# 19 PHE QE 35 VAL HA 3.57 (#peak 1247 #SUP 0.99 #QF 0.35)
&rst
ixpk= 1247, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 294, 298,
/
#
# 16 PHE QD 35 VAL HA 6.50 (#peak 1249 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1249, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 242, 250,
/
#
# 19 PHE QE 34 THR HA 4.98 (#peak 1250 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1250, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 294, 298,
/
#
# 19 PHE HZ 34 THR HA 5.29 (#peak 1251 #SUP 1.00)
&rst
ixpk= 1251, nxpk= 0, iat= 296, 502, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, /
#
# 31 GLU HA 34 THR HA 5.33 (#peak 1253 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1253, nxpk= 0, iat= 461, 502, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, /
#
# 34 THR HA 37 ARG HB2 3.76 (#peak 1257 #SUP 0.57 #QF 0.57)
&rst
ixpk= 1257, nxpk= 0, iat= 502, 551, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, /
#
# 34 THR HA 34 THR QG2 2.77 (#peak 1258 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1258, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 506, 507, 508,
/
#
# 91 VAL HA 92 PHE QD 5.43 (#peak 1260 #SUP 1.00)
&rst
ixpk= 1260, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1404,1412,
/
#
# 91 VAL HA 92 PHE QE 6.45 (#peak 1261 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1261, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr2=1406,1410,
/
#
# 91 VAL HA 92 PHE HA 4.79 (#peak 1263 #SUP 1.00)
&rst
ixpk= 1263, nxpk= 0, iat=1382,1398, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, /
#
# 29 THR HA 62 THR HA 5.14 (#peak 1265 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1265, nxpk= 0, iat= 425, 900, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, /
#
# 28 THR HA 29 THR HA 4.94 (#peak 1266 #SUP 1.00)
&rst
ixpk= 1266, nxpk= 0, iat= 411, 425, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, /
#
# 121 VAL HA 168 TYR QD 5.28 (#peak 1267 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1267, nxpk= 0, iat=1837, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2573,2582,
/
#
# 121 VAL HA 168 TYR QE 4.62 (#peak 1268 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1268, nxpk= 0, iat=1837, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2575,2580,
/
#
# 85 ILE HA 89 PHE QD 4.89 (#peak 1270 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1270, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1344,1352,
/
#
# 85 ILE HA 89 PHE QE 5.06 (#peak 1271 #SUP 1.00)
&rst
ixpk= 1271, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1346,1350,
/
#
# 85 ILE HA 89 PHE HZ 6.44 (#peak 1272 #SUP 0.71 #QF 0.71)
&rst
ixpk= 1272, nxpk= 0, iat=1270,1348, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, /
#
# 65 PHE HA 65 PHE QD 3.31 (#peak 1279 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1279, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 951, 959,
/
#
# 89 PHE HA 138 TYR QE 5.91 (#peak 1280 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1280, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2=2089,2094,
/
#
# 89 PHE HA 92 PHE QE 4.22 (#peak 1281 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1281, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1406,1410,
/
#
# 89 PHE HA 92 PHE QD 3.17 (#peak 1283 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1283, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2=1404,1412,
/
#
# 89 PHE HA 92 PHE H 3.99 (#peak 1285 #SUP 0.55 #QF 0.55)
&rst
ixpk= 1285, nxpk= 0, iat=1338,1396, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, /
#
# 19 PHE QE 38 SER HB2 4.48 (#peak 1288 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1288, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 294, 298,
/
#
# 19 PHE HZ 38 SER HB2 4.90 (#peak 1289 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1289, nxpk= 0, iat= 296, 575, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, /
#
# 16 PHE QD 17 SER HA 3.77 (#peak 1291 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1291, nxpk= 0, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 242, 250,
/
#
# 19 PHE QE 38 SER HA 6.17 (#peak 1292 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1292, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 294, 298,
/
#
# 17 SER HA 20 ASP H 5.58 (#peak 1293 #SUP 0.98 #QF 0.91)
&rst
ixpk= 1293, nxpk= 0, iat= 256, 304, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, /
#
# 16 PHE QE 17 SER HA 5.32 (#peak 1294 #SUP 1.00)
&rst
ixpk= 1294, nxpk= 0, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 244, 248,
/
#
# 68 PHE HA 68 PHE QD 3.29 (#peak 1298 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1298, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1000,1008,
/
#
# 16 PHE QD 68 PHE HA 5.75 (#peak 1299 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1299, nxpk= 0, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 242, 250,
/
#
# 68 PHE HA 68 PHE QE 4.93 (#peak 1300 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1300, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1002,1006,
/
#
# 99 TYR QD 136 VAL HA 5.03 (#peak 1301 #SUP 0.68 #QF 0.68)
&rst
ixpk= 1301, nxpk= 0, iat= -1,2051, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1498,1507,
/
#
# 171 TYR HA 171 TYR QD 3.14 (#peak 1302 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1302, nxpk= 0, iat=2636, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2=2642,2651,
/
#
# 168 TYR QE 169 ARG HA 5.87 (#peak 1304 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1304, nxpk= 0, iat= -1,2588, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=2575,2580,
/
#
# 107 HIS HA 107 HIS HE1 5.48 (#peak 1307 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1307, nxpk= 0, iat=1621,1628, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, /
#
# 36 MET HA 68 PHE HZ 4.45 (#peak 1308 #SUP 0.98 #QF 0.21)
&rst
ixpk= 1308, nxpk= 0, iat= 532,1004, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, /
#
# 92 PHE HZ 157 GLU HA 3.83 (#peak 1310 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1310, nxpk= 0, iat=1408,2392, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, /
#
# 92 PHE QE 157 GLU HA 3.59 (#peak 1311 #SUP 1.00)
&rst
ixpk= 1311, nxpk= 0, iat= -1,2392, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1406,1410,
/
#
# 36 MET HA 68 PHE QE 4.69 (#peak 1312 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1312, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1002,1006,
/
#
# 124 MET HA 168 TYR QD 5.05 (#peak 1313 #SUP 0.85 #QF 0.57)
&rst
ixpk= 1313, nxpk= 0, iat=1880, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2573,2582,
/
#
# 165 GLN HA 168 TYR QD 5.32 (#peak 1313 #SUP 0.85 #QF 0.57)
&rst
ixpk= 1313, nxpk= 0, iat=2516, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2573,2582,
/
#
# 141 PHE HA 141 PHE QD 3.18 (#peak 1315 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1315, nxpk= 0, iat=2132, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=2138,2146,
/
#
# 89 PHE QE 141 PHE HA 6.10 (#peak 1316 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1316, nxpk= 0, iat= -1,2132, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1346,1350,
/
#
# 16 PHE QE 63 ILE HA 5.55 (#peak 1318 #SUP 0.48 #QF 0.48)
&rst
ixpk= 1318, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 244, 248,
/
#
# 141 PHE HA 141 PHE QE 4.30 (#peak 1320 #SUP 1.00)
&rst
ixpk= 1320, nxpk= 0, iat=2132, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=2140,2144,
/
#
# 138 TYR HA 141 PHE QD 3.49 (#peak 1322 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1322, nxpk= 0, iat=2081, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=2138,2146,
/
#
# 27 ILE QG2 62 THR HA 6.50 (#peak 1323 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1323, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 396, 397, 398,
/
#
# 27 ILE QD1 62 THR HA 6.23 (#peak 1324 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1324, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr1= 403, 404, 405,
/
#
# 62 THR HA 63 ILE QD1 4.88 (#peak 1325 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1325, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 925, 926, 927,
/
#
# 29 THR QG2 62 THR HA 3.69 (#peak 1327 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1327, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 429, 430, 431,
/
#
# 28 THR QG2 62 THR HA 4.12 (#peak 1328 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1328, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 415, 416, 417,
/
#
# 62 THR HA 63 ILE HG13 4.69 (#peak 1329 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1329, nxpk= 0, iat= 900, 923, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, /
#
# 62 THR HA 63 ILE HB 5.38 (#peak 1332 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1332, nxpk= 0, iat= 900, 916, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, /
#
# 27 ILE HB 62 THR HA 6.43 (#peak 1333 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1333, nxpk= 0, iat= 394, 900, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, /
#
# 61 GLY HA2 62 THR HA 5.71 (#peak 1337 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1337, nxpk= 0, iat= 893, 900, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, /
#
# 28 THR HB 62 THR HA 4.40 (#peak 1338 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1338, nxpk= 0, iat= 413, 900, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, /
#
# 28 THR HA 62 THR HA 2.98 (#peak 1340 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1340, nxpk= 0, iat= 411, 900, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, /
#
# 12 PHE QE 76 MET HB3 6.22 (#peak 1352 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1352, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 177, 181,
/
#
# 12 PHE QE 76 MET HB2 6.22 (#peak 1353 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1353, nxpk= 0, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 177, 181,
/
#
# 76 MET HA 76 MET QE 4.53 (#peak 1355 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1355, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1146,1147,1148,
/
#
# 36 MET HG3 68 PHE QE 4.23 (#peak 1358 #SUP 1.00)
&rst
ixpk= 1358, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1002,1006,
/
#
# 36 MET HG2 68 PHE QE 4.27 (#peak 1359 #SUP 1.00)
&rst
ixpk= 1359, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1002,1006,
/
#
# 36 MET HG3 68 PHE HZ 5.12 (#peak 1360 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1360, nxpk= 0, iat= 538,1004, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, /
#
# 36 MET HG2 68 PHE HZ 4.87 (#peak 1361 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1361, nxpk= 0, iat= 537,1004, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, /
#
# 36 MET HG2 68 PHE QD 5.15 (#peak 1362 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1362, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1000,1008,
/
#
# 42 ASN HB2 43 PRO HD2 4.89 (#peak 1364 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1364, nxpk= 0, iat= 629, 640, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, /
#
# 41 GLN HA 42 ASN HB3 5.05 (#peak 1371 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1371, nxpk= 0, iat= 610, 630, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, /
#
# 16 PHE QE 20 ASP HB3 5.49 (#peak 1377 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1377, nxpk= 0, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 244, 248,
/
#
# 16 PHE QD 20 ASP HB3 4.93 (#peak 1378 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1378, nxpk= 0, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 242, 250,
/
#
# 16 PHE QE 20 ASP HB2 5.15 (#peak 1380 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1380, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 244, 248,
/
#
# 16 PHE QD 20 ASP HB2 5.16 (#peak 1381 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1381, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 242, 250,
/
#
# 89 PHE HB3 92 PHE QD 5.25 (#peak 1390 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1390, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1404,1412,
/
#
# 89 PHE HB2 92 PHE QD 5.79 (#peak 1393 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1393, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1404,1412,
/
#
# 89 PHE HB2 92 PHE QE 6.50 (#peak 1396 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1396, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1406,1410,
/
#
# 89 PHE HB2 138 TYR QE 5.02 (#peak 1397 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1397, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=2089,2094,
/
#
# 86 ARG HA 89 PHE HB2 4.29 (#peak 1399 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1399, nxpk= 0, iat=1289,1340, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, /
#
# 89 PHE HB2 164 ILE QD1 4.93 (#peak 1401 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1401, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=2508,2509,2510,
/
#
# 89 PHE HB2 100 ILE QD1 5.05 (#peak 1403 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1403, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1524,1525,1526,
/
#
# 89 PHE HB3 138 TYR HB3 4.21 (#peak 1406 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1406, nxpk= 0, iat=1341,2084, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, /
#
# 65 PHE QD 69 LEU HB3 6.50 (#peak 1416 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1416, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 951, 959,
/
#
# 68 PHE QD 69 LEU HB3 6.07 (#peak 1417 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1417, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1000,1008,
/
#
# 68 PHE QD 69 LEU HB2 6.10 (#peak 1418 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1418, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1000,1008,
/
#
# 12 PHE QD 69 LEU HB2 5.73 (#peak 1419 #SUP 0.97 #QF 0.93)
&rst
ixpk= 1419, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 175, 183,
/
#
# 65 PHE QE 69 LEU HB2 6.23 (#peak 1419 #SUP 0.97 #QF 0.93)
&rst
ixpk= 1419, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 953, 957,
/
#
# 12 PHE QD 69 LEU HB3 4.92 (#peak 1420 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1420, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 175, 183,
/
#
# 65 PHE HZ 69 LEU HB2 6.50 (#peak 1421 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1421, nxpk= 0, iat= 955,1016, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 107 HIS HE1 111 ASN HB3 5.16 (#peak 1423 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1423, nxpk= 0, iat=1628,1688, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, /
#
# 16 PHE HB3 19 PHE H 6.50 (#peak 1427 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1427, nxpk= 0, iat= 239, 284, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 16 PHE HB3 65 PHE QE 4.64 (#peak 1428 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1428, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 953, 957,
/
#
# 16 PHE HB2 19 PHE QD 6.08 (#peak 1433 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1433, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr2= 292, 300,
/
#
# 16 PHE HB2 65 PHE QE 4.47 (#peak 1434 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1434, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 953, 957,
/
#
# 16 PHE HB2 68 PHE QE 4.72 (#peak 1435 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1435, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1002,1006,
/
#
# 16 PHE HB3 19 PHE QD 6.50 (#peak 1446 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1446, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 292, 300,
/
#
# 16 PHE HB3 20 ASP H 6.50 (#peak 1446 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1446, nxpk= 0, iat= 239, 304, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 16 PHE HB3 68 PHE QD 5.23 (#peak 1447 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1447, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1000,1008,
/
#
# 64 ASP HA 66 PRO HD3 5.56 (#peak 1453 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1453, nxpk= 0, iat= 933, 965, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, /
#
# 65 PHE HZ 66 PRO HD3 6.26 (#peak 1454 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1454, nxpk= 0, iat= 955, 965, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, /
#
# 16 PHE QE 66 PRO HD3 5.95 (#peak 1456 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1456, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 244, 248,
/
#
# 26 THR QG2 66 PRO HD3 5.87 (#peak 1458 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1458, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 382, 383, 384,
/
#
# 65 PHE HB2 66 PRO HD3 3.84 (#peak 1461 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1461, nxpk= 0, iat= 947, 965, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, /
#
# 64 ASP HB2 66 PRO HD3 4.26 (#peak 1463 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1463, nxpk= 0, iat= 935, 965, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, /
#
# 65 PHE HB3 66 PRO HD3 3.60 (#peak 1464 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1464, nxpk= 0, iat= 948, 965, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, /
#
# 64 ASP HB3 66 PRO HD3 4.24 (#peak 1465 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1465, nxpk= 0, iat= 936, 965, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, /
#
# 16 PHE HZ 64 ASP HB2 5.70 (#peak 1469 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1469, nxpk= 0, iat= 246, 935, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, /
#
# 16 PHE HZ 64 ASP HA 3.62 (#peak 1471 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1471, nxpk= 0, iat= 246, 933, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, /
#
# 16 PHE QE 64 ASP HA 4.11 (#peak 1472 #SUP 1.00)
&rst
ixpk= 1472, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 244, 248,
/
#
# 25 GLY HA3 64 ASP HA 6.11 (#peak 1476 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1476, nxpk= 0, iat= 372, 933, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, /
#
# 26 THR HB 64 ASP HA 4.08 (#peak 1477 #SUP 1.00)
&rst
ixpk= 1477, nxpk= 0, iat= 380, 933, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, /
#
# 64 ASP HA 65 PHE HA 4.39 (#peak 1478 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1478, nxpk= 0, iat= 933, 945, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, /
#
# 64 ASP HA 65 PHE HB2 5.56 (#peak 1481 #SUP 1.00)
&rst
ixpk= 1481, nxpk= 0, iat= 933, 947, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, /
#
# 64 ASP HA 67 GLU HB3 6.50 (#peak 1483 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1483, nxpk= 0, iat= 933, 982, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 26 THR QG2 64 ASP HA 3.30 (#peak 1484 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1484, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 382, 383, 384,
/
#
# 27 ILE QG2 64 ASP HA 5.60 (#peak 1486 #SUP 1.00)
&rst
ixpk= 1486, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 396, 397, 398,
/
#
# 116 LEU HA 116 LEU HG 4.16 (#peak 1493 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1493, nxpk= 0, iat=1762,1767, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, /
#
# 36 MET HB2 42 ASN HA 5.36 (#peak 1499 #SUP 0.98 #QF 0.64)
&rst
ixpk= 1499, nxpk= 0, iat= 534, 627, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, /
#
# 43 PRO HB2 48 LEU QD1 5.17 (#peak 1502 #SUP 0.99 #QF 0.92)
&rst
ixpk= 1502, nxpk= 0, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 716, 717, 718,
/
#
# 16 PHE QD 25 GLY HA2 5.86 (#peak 1511 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1511, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 242, 250,
/
#
# 16 PHE QD 25 GLY HA3 6.00 (#peak 1512 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1512, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 242, 250,
/
#
# 16 PHE HZ 25 GLY HA2 5.94 (#peak 1515 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1515, nxpk= 0, iat= 246, 371, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, /
#
# 61 GLY HA3 62 THR HA 5.71 (#peak 1517 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1517, nxpk= 0, iat= 894, 900, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, /
#
# 125 ILE QG2 134 GLY HA3 5.02 (#peak 1521 #SUP 0.31 #QF 0.31)
&rst
ixpk= 1521, nxpk= 0, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1901,1902,1903,
/
#
# 113 GLY HA3 162 ILE QD1 3.82 (#peak 1526 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1526, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=2470,2471,2472,
/
#
# 113 GLY HA2 161 ALA QB 4.24 (#peak 1528 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1528, nxpk= 0, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=2451,2452,2453,
/
#
# 113 GLY HA2 162 ILE HG13 4.20 (#peak 1530 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1530, nxpk= 0, iat=1718,2468, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, /
#
# 113 GLY HA3 162 ILE HG13 4.79 (#peak 1531 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1531, nxpk= 0, iat=1719,2468, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, /
#
# 113 GLY HA3 162 ILE HB 5.70 (#peak 1536 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1536, nxpk= 0, iat=1719,2461, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, /
#
# 112 LEU HB2 113 GLY HA2 5.59 (#peak 1537 #SUP 0.98 #QF 0.37)
&rst
ixpk= 1537, nxpk= 0, iat=1701,1718, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, /
#
# 113 GLY HA2 162 ILE HB 6.06 (#peak 1537 #SUP 0.98 #QF 0.37)
&rst
ixpk= 1537, nxpk= 0, iat=1718,2461, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, /
#
# 133 ASP HA 134 GLY HA2 5.45 (#peak 1546 #SUP 0.70 #QF 0.58)
&rst
ixpk= 1546, nxpk= 0, iat=2015,2027, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, /
#
# 134 GLY HA2 135 GLN HA 5.72 (#peak 1546 #SUP 0.70 #QF 0.58)
&rst
ixpk= 1546, nxpk= 0, iat=2027,2034, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, /
#
# 133 ASP HA 134 GLY HA3 4.65 (#peak 1547 #SUP 0.49 #QF 0.49)
&rst
ixpk= 1547, nxpk= 0, iat=2015,2028, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, /
#
# 28 THR HA 61 GLY HA2 5.86 (#peak 1548 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1548, nxpk= 0, iat= 411, 893, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, /
#
# 20 ASP HA 25 GLY HA2 5.97 (#peak 1549 #SUP 0.65 #QF 0.65)
&rst
ixpk= 1549, nxpk= 0, iat= 306, 371, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, /
#
# 28 THR HA 61 GLY HA3 5.86 (#peak 1550 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1550, nxpk= 0, iat= 411, 894, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, /
#
# 25 GLY HA2 26 THR QG2 4.99 (#peak 1552 #SUP 0.99 #QF 0.93)
&rst
ixpk= 1552, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 382, 383, 384,
/
#
# 61 GLY HA2 62 THR QG2 5.16 (#peak 1552 #SUP 0.99 #QF 0.93)
&rst
ixpk= 1552, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 904, 905, 906,
/
#
# 25 GLY HA3 26 THR QG2 4.93 (#peak 1555 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1555, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 382, 383, 384,
/
#
# 61 GLY HA3 62 THR QG2 5.16 (#peak 1556 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1556, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 904, 905, 906,
/
#
# 96 GLY HA2 97 ASN HA 5.42 (#peak 1557 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1557, nxpk= 0, iat=1464,1471, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, /
#
# 96 GLY HA3 97 ASN HA 5.42 (#peak 1558 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1558, nxpk= 0, iat=1465,1471, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, /
#
# 43 PRO HA 51 MET QE 5.29 (#peak 1563 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1563, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 766, 767, 768,
/
#
# 32 LEU QD1 51 MET QE 4.13 (#peak 1566 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1566, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 483, 484, 485,
igr2= 766, 767, 768,
/
#
# 124 MET QE 168 TYR HA 4.42 (#peak 1567 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1567, nxpk= 0, iat= -1,2567, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1889,1890,1891,
/
#
# 124 MET QE 168 TYR HB2 3.54 (#peak 1568 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1568, nxpk= 0, iat= -1,2569, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1889,1890,1891,
/
#
# 52 ILE HA 71 MET QE 4.71 (#peak 1571 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1571, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1056,1057,1058,
/
#
# 71 MET HA 71 MET QE 4.21 (#peak 1573 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1573, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1056,1057,1058,
/
#
# 71 MET HG3 71 MET QE 3.47 (#peak 1574 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1574, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1056,1057,1058,
/
#
# 51 MET HB2 71 MET QE 4.66 (#peak 1577 #SUP 0.75 #QF 0.52)
&rst
ixpk= 1577, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1056,1057,1058,
/
#
# 55 VAL HB 71 MET QE 5.05 (#peak 1577 #SUP 0.75 #QF 0.52)
&rst
ixpk= 1577, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1056,1057,1058,
/
#
# 67 GLU HB3 71 MET QE 4.85 (#peak 1578 #SUP 0.67 #QF 0.67)
&rst
ixpk= 1578, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1056,1057,1058,
/
#
# 71 MET QE 72 MET HG2 4.20 (#peak 1579 #SUP 0.51 #QF 0.51)
&rst
ixpk= 1579, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1056,1057,1058,
/
#
# 55 VAL QG1 71 MET QE 3.26 (#peak 1580 #SUP 0.78 #QF 0.71)
&rst
ixpk= 1580, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 826, 827, 828,
igr2=1056,1057,1058,
/
#
# 39 LEU HA 72 MET QE 5.42 (#peak 1589 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1589, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1073,1074,1075,
/
#
# 36 MET QE 42 ASN HA 5.36 (#peak 1590 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1590, nxpk= 0, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 541, 542, 543,
/
#
# 36 MET QE 72 MET QE 3.46 (#peak 1591 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1591, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 541, 542, 543,
igr2=1073,1074,1075,
/
#
# 85 ILE QD1 145 MET QE 3.15 (#peak 1592 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1592, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1281,1282,1283,
igr2=2211,2212,2213,
/
#
# 85 ILE QG2 145 MET QE 2.85 (#peak 1594 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1594, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1274,1275,1276,
igr2=2211,2212,2213,
/
#
# 141 PHE HA 144 MET QE 3.35 (#peak 1597 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1597, nxpk= 0, iat=2132, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=2194,2195,2196,
/
#
# 163 ILE QG2 164 ILE HG12 4.58 (#peak 1600 #SUP 1.00)
&rst
ixpk= 1600, nxpk= 0, iat= -1,2505, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2482,2483,2484,
/
#
# 32 LEU QD1 51 MET HB2 5.04 (#peak 1608 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1608, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 483, 484, 485,
/
#
# 32 LEU QD2 51 MET HB2 5.04 (#peak 1609 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1609, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 487, 488, 489,
/
#
# 92 PHE QD 157 GLU HB3 5.95 (#peak 1615 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1615, nxpk= 0, iat= -1,2395, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1=1404,1412,
/
#
# 11 GLU HB3 12 PHE QE 4.62 (#peak 1617 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1617, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 177, 181,
/
#
# 8 GLN HB2 12 PHE QE 4.62 (#peak 1618 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1618, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 177, 181,
/
#
# 65 PHE HA 68 PHE HB3 3.68 (#peak 1621 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1621, nxpk= 0, iat= 945, 997, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, /
#
# 65 PHE HA 68 PHE HB2 4.62 (#peak 1622 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1622, nxpk= 0, iat= 945, 996, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, /
#
# 123 GLU HB3 168 TYR QD 5.90 (#peak 1625 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1625, nxpk= 0, iat=1868, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=2573,2582,
/
#
# 89 PHE QE 164 ILE HG12 5.19 (#peak 1629 #SUP 1.00)
&rst
ixpk= 1629, nxpk= 0, iat= -1,2505, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1346,1350,
/
#
# 89 PHE QE 164 ILE HG13 5.19 (#peak 1649 #SUP 1.00)
&rst
ixpk= 1649, nxpk= 0, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1346,1350,
/
#
# 164 ILE HA 164 ILE HG13 4.04 (#peak 1656 #SUP 1.00)
&rst
ixpk= 1656, nxpk= 0, iat=2497,2506, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, /
#
# 164 ILE QG2 164 ILE HG13 3.89 (#peak 1658 #SUP 1.00)
&rst
ixpk= 1658, nxpk= 0, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=2501,2502,2503,
/
#
# 8 GLN HB3 12 PHE HZ 4.81 (#peak 1662 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1662, nxpk= 0, iat= 111, 179, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, /
#
# 8 GLN HB3 12 PHE QD 5.29 (#peak 1663 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1663, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 175, 183,
/
#
# 86 ARG HB2 138 TYR QD 6.50 (#peak 1668 #SUP 0.99 #QF 0.97)
&rst
ixpk= 1668, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=2087,2096,
/
#
# 86 ARG HB3 138 TYR QD 6.50 (#peak 1668 #SUP 0.99 #QF 0.97)
&rst
ixpk= 1668, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=2087,2096,
/
#
# 12 PHE QD 72 MET HB3 4.89 (#peak 1681 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1681, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 175, 183,
/
#
# 68 PHE HZ 72 MET HB3 6.04 (#peak 1682 #SUP 1.00)
&rst
ixpk= 1682, nxpk= 0, iat=1004,1067, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, /
#
# 12 PHE HZ 72 MET HB2 5.05 (#peak 1683 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1683, nxpk= 0, iat= 179,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, /
#
# 12 PHE QD 72 MET HB2 4.89 (#peak 1684 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1684, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 175, 183,
/
#
# 68 PHE HZ 72 MET HB2 6.04 (#peak 1685 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1685, nxpk= 0, iat=1004,1066, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, /
#
# 12 PHE QE 72 MET HB2 4.58 (#peak 1687 #SUP 1.00)
&rst
ixpk= 1687, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 177, 181,
/
#
# 168 TYR QD 169 ARG HG3 6.16 (#peak 1688 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1688, nxpk= 0, iat= -1,2594, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=2573,2582,
/
#
# 19 PHE QD 35 VAL HB 5.50 (#peak 1692 #SUP 1.00)
&rst
ixpk= 1692, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 292, 300,
/
#
# 19 PHE QE 35 VAL HB 5.93 (#peak 1692 #SUP 1.00)
&rst
ixpk= 1692, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 294, 298,
/
#
# 35 VAL HB 68 PHE QE 4.52 (#peak 1693 #SUP 1.00)
&rst
ixpk= 1693, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1002,1006,
/
#
# 138 TYR QE 142 VAL HB 5.68 (#peak 1699 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1699, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=2089,2094,
/
#
# 91 VAL HB 92 PHE QD 4.49 (#peak 1705 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1705, nxpk= 0, iat=1384, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1404,1412,
/
#
# 92 PHE QE 108 VAL HB 4.32 (#peak 1706 #SUP 0.50 #QF 0.50)
&rst
ixpk= 1706, nxpk= 0, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1406,1410,
/
#
# 35 VAL HB 68 PHE HZ 5.20 (#peak 1707 #SUP 0.81 #QF 0.61)
&rst
ixpk= 1707, nxpk= 0, iat= 518,1004, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, /
#
# 36 MET HB3 68 PHE HZ 5.58 (#peak 1707 #SUP 0.81 #QF 0.61)
&rst
ixpk= 1707, nxpk= 0, iat= 535,1004, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, /
#
# 35 VAL HB 68 PHE QD 6.03 (#peak 1708 #SUP 0.91 #QF 0.77)
&rst
ixpk= 1708, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2=1000,1008,
/
#
# 121 VAL HB 168 TYR QE 6.49 (#peak 1708 #SUP 0.91 #QF 0.77)
&rst
ixpk= 1708, nxpk= 0, iat=1839, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2=2575,2580,
/
#
# 12 PHE HZ 72 MET HG3 5.36 (#peak 1710 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1710, nxpk= 0, iat= 179,1070, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, /
#
# 12 PHE HZ 72 MET HG2 6.14 (#peak 1711 #SUP 1.00)
&rst
ixpk= 1711, nxpk= 0, iat= 179,1069, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, /
#
# 68 PHE QD 71 MET HG3 5.03 (#peak 1712 #SUP 1.00 #QF 0.82)
&rst
ixpk= 1712, nxpk= 0, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1000,1008,
/
#
# 13 LYS HB3 65 PHE QD 5.99 (#peak 1714 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1714, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr2= 951, 959,
/
#
# 13 LYS HB2 65 PHE QD 5.99 (#peak 1715 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1715, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr2= 951, 959,
/
#
# 124 MET HG3 141 PHE QE 4.05 (#peak 1721 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1721, nxpk= 0, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=2140,2144,
/
#
# 124 MET HG3 141 PHE QD 4.24 (#peak 1722 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1722, nxpk= 0, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=2138,2146,
/
#
# 124 MET HG3 168 TYR QD 5.33 (#peak 1723 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1723, nxpk= 0, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=2573,2582,
/
#
# 124 MET HG3 168 TYR QE 4.62 (#peak 1724 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1724, nxpk= 0, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2575,2580,
/
#
# 124 MET HG2 168 TYR QE 5.33 (#peak 1726 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1726, nxpk= 0, iat=1885, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=2575,2580,
/
#
# 68 PHE QD 71 MET HG2 5.79 (#peak 1732 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1732, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1000,1008,
/
#
# 141 PHE QD 144 MET HB3 3.80 (#peak 1733 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1733, nxpk= 0, iat= -1,2188, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=2138,2146,
/
#
# 144 MET HB3 171 TYR QE 4.95 (#peak 1734 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1734, nxpk= 0, iat=2188, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=2644,2649,
/
#
# 12 PHE HZ 76 MET HB2 6.22 (#peak 1735 #SUP 0.57 #QF 0.57)
&rst
ixpk= 1735, nxpk= 0, iat= 179,1139, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, /
#
# 141 PHE QE 144 MET HB3 5.31 (#peak 1736 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1736, nxpk= 0, iat= -1,2188, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=2140,2144,
/
#
# 99 TYR QD 136 VAL HB 5.82 (#peak 1737 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1737, nxpk= 0, iat= -1,2053, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1498,1507,
/
#
# 136 VAL HB 138 TYR QD 6.50 (#peak 1738 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1738, nxpk= 0, iat=2053, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=2087,2096,
/
#
# 124 MET HB3 168 TYR QE 5.10 (#peak 1740 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1740, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=2575,2580,
/
#
# 124 MET HB3 141 PHE QE 5.42 (#peak 1741 #SUP 1.00)
&rst
ixpk= 1741, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=2140,2144,
/
#
# 124 MET HB2 168 TYR QD 5.23 (#peak 1743 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1743, nxpk= 0, iat=1882, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=2573,2582,
/
#
# 124 MET HB2 141 PHE QD 6.14 (#peak 1744 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1744, nxpk= 0, iat=1882, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2=2138,2146,
/
#
# 124 MET HB3 168 TYR QD 5.38 (#peak 1745 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1745, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=2573,2582,
/
#
# 124 MET HB2 141 PHE QE 6.25 (#peak 1747 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1747, nxpk= 0, iat=1882, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr2=2140,2144,
/
#
# 145 MET HB3 171 TYR QD 5.22 (#peak 1748 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1748, nxpk= 0, iat=2205, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=2642,2651,
/
#
# 145 MET HB2 171 TYR QD 5.22 (#peak 1749 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1749, nxpk= 0, iat=2204, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=2642,2651,
/
#
# 8 GLN HG2 12 PHE HZ 5.62 (#peak 1750 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1750, nxpk= 0, iat= 113, 179, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, /
#
# 8 GLN HG2 12 PHE QD 6.35 (#peak 1752 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1752, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2= 175, 183,
/
#
# 8 GLN HG3 12 PHE QD 6.35 (#peak 1753 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1753, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2= 175, 183,
/
#
# 8 GLN HG3 12 PHE HZ 5.62 (#peak 1758 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1758, nxpk= 0, iat= 114, 179, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, /
#
# 145 MET HB2 168 TYR HA 6.50 (#peak 1764 #SUP 0.86 #QF 0.22)
&rst
ixpk= 1764, nxpk= 0, iat=2204,2567, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 145 MET HB3 168 TYR HA 6.50 (#peak 1765 #SUP 0.98 #QF 0.60)
&rst
ixpk= 1765, nxpk= 0, iat=2205,2567, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 91 VAL HB 92 PHE H 6.10 (#peak 1769 #SUP 0.97 #QF 0.71)
&rst
ixpk= 1769, nxpk= 0, iat=1384,1396, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, /
#
# 120 GLU HB3 168 TYR QD 5.59 (#peak 1770 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1770, nxpk= 0, iat=1825, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=2573,2582,
/
#
# 116 LEU HA 120 GLU HB3 4.35 (#peak 1771 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1771, nxpk= 0, iat=1762,1825, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, /
#
# 71 MET HG3 72 MET HA 4.01 (#peak 1774 #SUP 0.70 #QF 0.52)
&rst
ixpk= 1774, nxpk= 0, iat=1053,1064, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, /
#
# 71 MET HA 71 MET HG3 3.88 (#peak 1776 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1776, nxpk= 0, iat=1047,1053, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, /
#
# 71 MET HG3 72 MET HG2 4.46 (#peak 1784 #SUP 0.68 #QF 0.68)
&rst
ixpk= 1784, nxpk= 0, iat=1053,1069, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, /
#
# 116 LEU HB2 120 GLU HB3 4.00 (#peak 1786 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1786, nxpk= 0, iat=1764,1825, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 116 LEU QD2 120 GLU HB3 4.55 (#peak 1787 #SUP 0.86 #QF 0.58)
&rst
ixpk= 1787, nxpk= 0, iat= -1,1825, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1773,1774,1775,
/
#
# 116 LEU HB3 120 GLU HB3 4.00 (#peak 1788 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1788, nxpk= 0, iat=1765,1825, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 89 PHE QE 138 TYR HA 4.37 (#peak 1795 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1795, nxpk= 0, iat= -1,2081, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1346,1350,
/
#
# 138 TYR HB3 141 PHE QD 5.00 (#peak 1800 #SUP 0.97 #QF 0.92)
&rst
ixpk= 1800, nxpk= 0, iat=2084, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2138,2146,
/
#
# 89 PHE QE 138 TYR HB3 4.93 (#peak 1805 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1805, nxpk= 0, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1346,1350,
/
#
# 127 GLU HG3 141 PHE QE 4.62 (#peak 1807 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1807, nxpk= 0, iat=1946, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2140,2144,
/
#
# 127 GLU HG3 141 PHE QD 5.47 (#peak 1808 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1808, nxpk= 0, iat=1946, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=2138,2146,
/
#
# 127 GLU HA 127 GLU HG3 4.01 (#peak 1811 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1811, nxpk= 0, iat=1940,1946, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, /
#
# 127 GLU HG2 141 PHE QE 4.62 (#peak 1813 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1813, nxpk= 0, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2140,2144,
/
#
# 127 GLU HG2 141 PHE QD 5.47 (#peak 1814 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1814, nxpk= 0, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=2138,2146,
/
#
# 145 MET HA 171 TYR HB2 4.37 (#peak 1826 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1826, nxpk= 0, iat=2202,2638, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, /
#
# 168 TYR HA 171 TYR HB2 4.21 (#peak 1827 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1827, nxpk= 0, iat=2567,2638, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, /
#
# 168 TYR QE 171 TYR HB3 5.17 (#peak 1829 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1829, nxpk= 0, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=2575,2580,
/
#
# 85 ILE HB 89 PHE QE 5.37 (#peak 1831 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1831, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1346,1350,
/
#
# 85 ILE HB 89 PHE QD 5.44 (#peak 1832 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1832, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1344,1352,
/
#
# 9 ILE HB 65 PHE HZ 6.15 (#peak 1834 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1834, nxpk= 0, iat= 127, 955, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, /
#
# 9 ILE HB 12 PHE QD 6.25 (#peak 1835 #SUP 0.94 #QF 0.68)
&rst
ixpk= 1835, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr2= 175, 183,
/
#
# 9 ILE HB 65 PHE QE 6.50 (#peak 1835 #SUP 0.94 #QF 0.68)
&rst
ixpk= 1835, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 953, 957,
/
#
# 92 PHE HZ 164 ILE HB 6.50 (#peak 1843 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1843, nxpk= 0, iat=1408,2499, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 109 MET HA 164 ILE HB 6.50 (#peak 1845 #SUP 0.99 #QF 0.96)
&rst
ixpk= 1845, nxpk= 0, iat=1654,2499, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 162 ILE HA 164 ILE HB 6.50 (#peak 1845 #SUP 0.99 #QF 0.96)
&rst
ixpk= 1845, nxpk= 0, iat=2459,2499, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 16 PHE QD 68 PHE HB3 4.71 (#peak 1849 #SUP 0.91 #QF 0.68)
&rst
ixpk= 1849, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 242, 250,
/
#
# 16 PHE HZ 68 PHE HB2 5.21 (#peak 1857 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1857, nxpk= 0, iat= 246, 996, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, /
#
# 65 PHE HZ 69 LEU HB3 6.50 (#peak 1866 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1866, nxpk= 0, iat= 955,1017, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 12 PHE QE 69 LEU HB2 6.50 (#peak 1869 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1869, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 177, 181,
/
#
# 12 PHE QE 69 LEU HB3 6.50 (#peak 1870 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1870, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 177, 181,
/
#
# 111 ASN HB2 112 LEU HG 4.50 (#peak 1876 #SUP 0.71 #QF 0.71)
&rst
ixpk= 1876, nxpk= 0, iat=1687,1704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 111 ASN HB2 112 LEU QD1 5.51 (#peak 1878 #SUP 1.00 #QF 0.97)
&rst
ixpk= 1878, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1706,1707,1708,
/
#
# 111 ASN HB2 112 LEU QD2 5.51 (#peak 1878 #SUP 1.00 #QF 0.97)
&rst
ixpk= 1878, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1710,1711,1712,
/
#
# 16 PHE QE 27 ILE HB 5.11 (#peak 1880 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1880, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 244, 248,
/
#
# 89 PHE QE 105 LEU HB3 5.87 (#peak 1881 #SUP 1.00)
&rst
ixpk= 1881, nxpk= 0, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1346,1350,
/
#
# 16 PHE HZ 63 ILE HB 5.86 (#peak 1887 #SUP 0.93 #QF 0.89)
&rst
ixpk= 1887, nxpk= 0, iat= 246, 916, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, /
#
# 18 LEU HB3 19 PHE H 6.14 (#peak 1887 #SUP 0.93 #QF 0.89)
&rst
ixpk= 1887, nxpk= 0, iat= 270, 284, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, /
#
# 18 LEU HB3 19 PHE QD 3.59 (#peak 1888 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1888, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 292, 300,
/
#
# 18 LEU HB3 19 PHE QE 4.03 (#peak 1888 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1888, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 294, 298,
/
#
# 16 PHE QE 63 ILE HB 4.50 (#peak 1889 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1889, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 244, 248,
/
#
# 18 LEU HB2 19 PHE QD 3.89 (#peak 1890 #SUP 0.97 #QF 0.92)
&rst
ixpk= 1890, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 292, 300,
/
#
# 18 LEU HB2 19 PHE QE 4.21 (#peak 1890 #SUP 0.97 #QF 0.92)
&rst
ixpk= 1890, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 294, 298,
/
#
# 18 LEU HB3 19 PHE HZ 5.06 (#peak 1891 #SUP 1.00)
&rst
ixpk= 1891, nxpk= 0, iat= 270, 296, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, /
#
# 18 LEU HB2 19 PHE HZ 6.31 (#peak 1892 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1892, nxpk= 0, iat= 269, 296, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, /
#
# 168 TYR QE 172 LEU HB3 6.00 (#peak 1896 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1896, nxpk= 0, iat= -1,2660, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2575,2580,
/
#
# 171 TYR QD 172 LEU HB3 5.42 (#peak 149 #SUP 1.00)
&rst
ixpk= 149, nxpk= 0, iat= -1,2660, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=2642,2651,
/
#
# 168 TYR QD 172 LEU HB2 5.55 (#peak 152 #SUP 1.00 #QF 0.94)
&rst
ixpk= 152, nxpk= 0, iat= -1,2659, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=2573,2582,
/
#
# 171 TYR QD 172 LEU HB2 5.89 (#peak 152 #SUP 1.00 #QF 0.94)
&rst
ixpk= 152, nxpk= 0, iat= -1,2659, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2642,2651,
/
#
# 168 TYR QE 172 LEU HB2 5.69 (#peak 153 #SUP 0.97 #QF 0.97)
&rst
ixpk= 153, nxpk= 0, iat= -1,2659, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=2575,2580,
/
#
# 32 LEU HB2 68 PHE QE 5.74 (#peak 154 #SUP 0.96 #QF 0.96)
&rst
ixpk= 154, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1002,1006,
/
#
# 106 ARG HD3 110 THR QG2 5.33 (#peak 172 #SUP 0.87 #QF 0.87)
&rst
ixpk= 172, nxpk= 0, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1675,1676,1677,
/
#
# 92 PHE HZ 112 LEU HB2 6.13 (#peak 1932 #SUP 1.00)
&rst
ixpk= 1932, nxpk= 0, iat=1408,1701, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, /
#
# 92 PHE QE 112 LEU HB2 6.00 (#peak 1933 #SUP 1.00)
&rst
ixpk= 1933, nxpk= 0, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1406,1410,
/
#
# 92 PHE QE 112 LEU HB3 6.50 (#peak 1936 #SUP 0.43 #QF 0.43)
&rst
ixpk= 1936, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1406,1410,
/
#
# 92 PHE HZ 112 LEU HB3 6.50 (#peak 1937 #SUP 0.32 #QF 0.32)
&rst
ixpk= 1937, nxpk= 0, iat=1408,1702, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 99 TYR HA 137 ASN HA 3.31 (#peak 1940 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1940, nxpk= 0, iat=1492,2067, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, /
#
# 99 TYR QD 137 ASN HA 3.97 (#peak 1941 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1941, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1498,1507,
/
#
# 137 ASN HA 138 TYR HB3 5.43 (#peak 1947 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1947, nxpk= 0, iat=2067,2084, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, /
#
# 27 ILE QD1 64 ASP HA 6.19 (#peak 1951 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1951, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1= 403, 404, 405,
/
#
# 63 ILE QD1 64 ASP HA 6.44 (#peak 1952 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1952, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
igr1= 925, 926, 927,
/
#
# 63 ILE HB 64 ASP HA 6.50 (#peak 1953 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1953, nxpk= 0, iat= 916, 933, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 92 PHE QD 93 ASP HA 6.21 (#peak 1954 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1954, nxpk= 0, iat= -1,1418, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1404,1412,
/
#
# 93 ASP HA 138 TYR QD 5.40 (#peak 1956 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1956, nxpk= 0, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=2087,2096,
/
#
# 19 PHE H 20 ASP HA 6.50 (#peak 1958 #SUP 0.97 #QF 0.79)
&rst
ixpk= 1958, nxpk= 0, iat= 284, 306, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 16 PHE QE 20 ASP HA 5.54 (#peak 1959 #SUP 1.00)
&rst
ixpk= 1959, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 244, 248,
/
#
# 16 PHE QD 20 ASP HA 5.75 (#peak 1960 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1960, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 242, 250,
/
#
# 20 ASP HA 26 THR HA 6.07 (#peak 1961 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1961, nxpk= 0, iat= 306, 378, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, /
#
# 128 ALA HA 141 PHE QE 4.64 (#peak 1962 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1962, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2140,2144,
/
#
# 128 ALA HA 141 PHE QD 3.74 (#peak 1963 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1963, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2138,2146,
/
#
# 128 ALA HA 129 ASP HA 5.05 (#peak 1965 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1965, nxpk= 0, iat=1955,1965, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, /
#
# 128 ALA HA 141 PHE HB3 5.14 (#peak 1966 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1966, nxpk= 0, iat=1955,2135, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, /
#
# 128 ALA HA 141 PHE HB2 5.14 (#peak 1967 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1967, nxpk= 0, iat=1955,2134, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, /
#
# 125 ILE HA 128 ALA HA 5.81 (#peak 1968 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1968, nxpk= 0, iat=1897,1955, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, /
#
# 97 ASN HA 99 TYR QE 5.78 (#peak 1973 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1973, nxpk= 0, iat=1471, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1500,1505,
/
#
# 116 LEU HA 168 TYR QD 6.48 (#peak 1976 #SUP 1.00)
&rst
ixpk= 1976, nxpk= 0, iat=1762, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=2573,2582,
/
#
# 116 LEU HA 168 TYR QE 6.35 (#peak 1977 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1977, nxpk= 0, iat=1762, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2=2575,2580,
/
#
# 4 LEU HA 12 PHE QD 6.43 (#peak 1978 #SUP 1.00 #QF 0.41)
&rst
ixpk= 1978, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr2= 175, 183,
/
#
# 12 PHE QD 39 LEU HA 6.50 (#peak 1978 #SUP 1.00 #QF 0.41)
&rst
ixpk= 1978, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 175, 183,
/
#
# 88 ALA HA 92 PHE QE 5.48 (#peak 1982 #SUP 1.00)
&rst
ixpk= 1982, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1406,1410,
/
#
# 88 ALA HA 92 PHE H 6.26 (#peak 1984 #SUP 1.00 #QF 0.91)
&rst
ixpk= 1984, nxpk= 0, iat=1328,1396, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, /
#
# 88 ALA HA 92 PHE HZ 6.50 (#peak 1984 #SUP 1.00 #QF 0.91)
&rst
ixpk= 1984, nxpk= 0, iat=1328,1408, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 12 PHE QE 73 ALA HA 5.08 (#peak 1985 #SUP 1.00)
&rst
ixpk= 1985, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 177, 181,
/
#
# 88 ALA HA 89 PHE QD 6.34 (#peak 1989 #SUP 0.67 #QF 0.67)
&rst
ixpk= 1989, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2=1344,1352,
/
#
# 15 ALA HA 19 PHE QD 4.85 (#peak 1990 #SUP 0.99 #QF 0.30)
&rst
ixpk= 1990, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 292, 300,
/
#
# 10 ALA HA 65 PHE HZ 5.38 (#peak 1993 #SUP 1.00)
&rst
ixpk= 1993, nxpk= 0, iat= 144, 955, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, /
#
# 167 ALA HA 168 TYR QD 6.47 (#peak 1994 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1994, nxpk= 0, iat=2557, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr2=2573,2582,
/
#
# 10 ALA HA 65 PHE QE 5.56 (#peak 1995 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1995, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 953, 957,
/
#
# 68 PHE HZ 72 MET HA 6.38 (#peak 1997 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1997, nxpk= 0, iat=1004,1064, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, /
#
# 68 PHE QD 72 MET HA 6.50 (#peak 1998 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1998, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1000,1008,
/
#
# 89 PHE QD 161 ALA HA 6.27 (#peak 2001 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2001, nxpk= 0, iat= -1,2449, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=1344,1352,
/
#
# 99 TYR HA 138 TYR HA 5.68 (#peak 2006 #SUP 1.00)
&rst
ixpk= 2006, nxpk= 0, iat=1492,2081, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, /
#
# 99 TYR HA 136 VAL HB 6.50 (#peak 2011 #SUP 0.60 #QF 0.60)
&rst
ixpk= 2011, nxpk= 0, iat=1492,2053, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 99 TYR HA 100 ILE HB 4.63 (#peak 2015 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2015, nxpk= 0, iat=1492,1515, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, /
#
# 99 TYR HA 100 ILE HG13 5.97 (#peak 2016 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2016, nxpk= 0, iat=1492,1522, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, /
#
# 99 TYR HA 100 ILE QG2 5.62 (#peak 2017 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2017, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2=1517,1518,1519,
/
#
# 99 TYR HA 100 ILE QD1 5.53 (#peak 2018 #SUP 1.00)
&rst
ixpk= 2018, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2=1524,1525,1526,
/
#
# 99 TYR HA 136 VAL QG2 6.50 (#peak 2019 #SUP 0.73 #QF 0.53)
&rst
ixpk= 2019, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=2059,2060,2061,
/
#
# 92 PHE QD 161 ALA HA 4.67 (#peak 2021 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2021, nxpk= 0, iat= -1,2449, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1404,1412,
/
#
# 92 PHE QE 161 ALA HA 3.85 (#peak 2022 #SUP 1.00)
&rst
ixpk= 2022, nxpk= 0, iat= -1,2449, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1406,1410,
/
#
# 89 PHE QE 161 ALA HA 6.14 (#peak 2023 #SUP 1.00)
&rst
ixpk= 2023, nxpk= 0, iat= -1,2449, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=1346,1350,
/
#
# 171 TYR QE 175 GLN HA 5.70 (#peak 2024 #SUP 0.81 #QF 0.81)
&rst
ixpk= 2024, nxpk= 0, iat= -1,2717, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=2644,2649,
/
#
# 171 TYR QD 175 GLN HA 6.50 (#peak 2025 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2025, nxpk= 0, iat= -1,2717, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=2642,2651,
/
#
# 18 LEU HA 19 PHE QD 4.37 (#peak 2028 #SUP 0.67 #QF 0.67)
&rst
ixpk= 2028, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 292, 300,
/
#
# 92 PHE QE 154 ARG HA 6.24 (#peak 2029 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2029, nxpk= 0, iat= -1,2329, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1406,1410,
/
#
# 89 PHE QE 105 LEU HA 5.63 (#peak 2031 #SUP 1.00)
&rst
ixpk= 2031, nxpk= 0, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1346,1350,
/
#
# 92 PHE QE 105 LEU HA 5.98 (#peak 2032 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2032, nxpk= 0, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=1406,1410,
/
#
# 168 TYR QE 172 LEU HA 5.67 (#peak 2034 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2034, nxpk= 0, iat= -1,2657, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2575,2580,
/
#
# 12 PHE QE 69 LEU HA 5.14 (#peak 2037 #SUP 1.00)
&rst
ixpk= 2037, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 177, 181,
/
#
# 12 PHE QD 69 LEU HA 4.57 (#peak 2038 #SUP 1.00)
&rst
ixpk= 2038, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 175, 183,
/
#
# 65 PHE QD 69 LEU HA 6.50 (#peak 2039 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2039, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 951, 959,
/
#
# 172 LEU HA 172 LEU HG 3.56 (#peak 2047 #SUP 1.00 #QF 0.99)
&rst
ixpk= 2047, nxpk= 0, iat=2657,2662, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, /
#
# 172 LEU HA 172 LEU QD1 3.92 (#peak 2048 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2048, nxpk= 0, iat=2657, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2664,2665,2666,
/
#
# 12 PHE HA 16 PHE QD 6.50 (#peak 2049 #SUP 0.96 #QF 0.78)
&rst
ixpk= 2049, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 242, 250,
/
#
# 12 PHE HA 65 PHE QD 6.50 (#peak 2049 #SUP 0.96 #QF 0.78)
&rst
ixpk= 2049, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 951, 959,
/
#
# 99 TYR QD 101 SER HA 5.50 (#peak 2050 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2050, nxpk= 0, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1498,1507,
/
#
# 12 PHE HA 12 PHE QE 4.59 (#peak 2053 #SUP 1.00)
&rst
ixpk= 2053, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 177, 181,
/
#
# 12 PHE HA 68 PHE QD 5.67 (#peak 2056 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2056, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1000,1008,
/
#
# 16 PHE HZ 63 ILE HA 6.07 (#peak 2063 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2063, nxpk= 0, iat= 246, 914, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, /
#
# 92 PHE QE 108 VAL HA 6.41 (#peak 2067 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2067, nxpk= 0, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1406,1410,
/
#
# 20 ASP HA 27 ILE QG2 3.44 (#peak 2070 #SUP 1.00)
&rst
ixpk= 2070, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 396, 397, 398,
/
#
# 20 ASP HA 27 ILE HB 5.04 (#peak 2075 #SUP 1.00)
&rst
ixpk= 2075, nxpk= 0, iat= 306, 394, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, /
#
# 19 PHE HB3 20 ASP HA 5.39 (#peak 2078 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2078, nxpk= 0, iat= 289, 306, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, /
#
# 19 PHE HA 20 ASP HA 5.60 (#peak 2079 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2079, nxpk= 0, iat= 286, 306, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, /
#
# 20 ASP HA 21 LYS HA 4.73 (#peak 2081 #SUP 0.81 #QF 0.81)
&rst
ixpk= 2081, nxpk= 0, iat= 306, 318, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, /
#
# 93 ASP HA 100 ILE HG12 4.04 (#peak 2088 #SUP 1.00)
&rst
ixpk= 2088, nxpk= 0, iat=1418,1521, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, /
#
# 93 ASP HA 138 TYR HB3 6.50 (#peak 2089 #SUP 0.98 #QF 0.96)
&rst
ixpk= 2089, nxpk= 0, iat=1418,2084, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 90 ARG HA 93 ASP HA 4.92 (#peak 2092 #SUP 1.00)
&rst
ixpk= 2092, nxpk= 0, iat=1358,1418, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, /
#
# 171 TYR HB2 172 LEU HB2 6.50 (#peak 2113 #SUP 0.90 #QF 0.82)
&rst
ixpk= 2113, nxpk= 0, iat=2638,2659, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 171 TYR HB2 172 LEU HG 6.50 (#peak 2113 #SUP 0.90 #QF 0.82)
&rst
ixpk= 2113, nxpk= 0, iat=2638,2662, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 168 TYR HB3 172 LEU QD1 6.50 (#peak 2116 #SUP 1.00 #QF 0.99)
&rst
ixpk= 2116, nxpk= 0, iat=2570, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=2664,2665,2666,
/
#
# 168 TYR HB3 172 LEU QD2 6.50 (#peak 2116 #SUP 1.00 #QF 0.99)
&rst
ixpk= 2116, nxpk= 0, iat=2570, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=2668,2669,2670,
/
#
# 124 MET QE 168 TYR HB3 4.29 (#peak 2117 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2117, nxpk= 0, iat= -1,2570, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1889,1890,1891,
/
#
# 52 ILE QG2 53 ASN HB2 5.88 (#peak 2119 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2119, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 778, 779, 780,
/
#
# 52 ILE QG2 53 ASN HB3 5.88 (#peak 2120 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2120, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 778, 779, 780,
/
#
# 167 ALA HA 168 TYR HB3 6.50 (#peak 2123 #SUP 0.93 #QF 0.89)
&rst
ixpk= 2123, nxpk= 0, iat=2557,2570, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 171 TYR HB3 172 LEU HB2 6.50 (#peak 2125 #SUP 1.00 #QF 0.83)
&rst
ixpk= 2125, nxpk= 0, iat=2639,2659, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 171 TYR HB3 172 LEU HG 6.50 (#peak 2125 #SUP 1.00 #QF 0.83)
&rst
ixpk= 2125, nxpk= 0, iat=2639,2662, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 167 ALA QB 171 TYR HB3 5.38 (#peak 2126 #SUP 0.83 #QF 0.83)
&rst
ixpk= 2126, nxpk= 0, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=2559,2560,2561,
/
#
# 144 MET QE 171 TYR HB3 5.76 (#peak 2131 #SUP 0.99 #QF 0.84)
&rst
ixpk= 2131, nxpk= 0, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=2194,2195,2196,
/
#
# 145 MET QE 171 TYR HB3 6.18 (#peak 2131 #SUP 0.99 #QF 0.84)
&rst
ixpk= 2131, nxpk= 0, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92,
igr1=2211,2212,2213,
/
#
# 170 ARG HB3 171 TYR HB3 6.50 (#peak 2133 #SUP 0.99 #QF 0.60)
&rst
ixpk= 2133, nxpk= 0, iat=2615,2639, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 170 ARG HB3 171 TYR HB2 5.72 (#peak 2135 #SUP 0.99 #QF 0.97)
&rst
ixpk= 2135, nxpk= 0, iat=2615,2638, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, /
#
# 144 MET HG2 171 TYR HB2 5.25 (#peak 2136 #SUP 0.82 #QF 0.82)
&rst
ixpk= 2136, nxpk= 0, iat=2190,2638, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, /
#
# 144 MET HG2 171 TYR HB3 6.03 (#peak 2137 #SUP 0.75 #QF 0.75)
&rst
ixpk= 2137, nxpk= 0, iat=2190,2639, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, /
#
# 168 TYR HB2 172 LEU QD1 6.50 (#peak 2138 #SUP 0.99 #QF 0.83)
&rst
ixpk= 2138, nxpk= 0, iat=2569, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=2664,2665,2666,
/
#
# 168 TYR HB2 172 LEU QD2 6.50 (#peak 2138 #SUP 0.99 #QF 0.83)
&rst
ixpk= 2138, nxpk= 0, iat=2569, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=2668,2669,2670,
/
#
# 91 VAL QG2 92 PHE H 4.46 (#peak 2144 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2144, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1390,1391,1392,
/
#
# 89 PHE HZ 124 MET QE 3.84 (#peak 2148 #SUP 0.83 #QF 0.65)
&rst
ixpk= 2148, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1889,1890,1891,
/
#
# 12 PHE HA 72 MET QE 5.24 (#peak 2153 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2153, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1073,1074,1075,
/
#
# 11 GLU HB3 12 PHE HA 5.29 (#peak 2155 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2155, nxpk= 0, iat= 157, 169, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, /
#
# 12 PHE HA 39 LEU HG 4.82 (#peak 2156 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2156, nxpk= 0, iat= 169, 589, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, /
#
# 35 VAL QG1 38 SER HB3 6.50 (#peak 2161 #SUP 0.91 #QF 0.72)
&rst
ixpk= 2161, nxpk= 0, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 520, 521, 522,
/
#
# 141 PHE HA 144 MET HG2 4.50 (#peak 2170 #SUP 0.83 #QF 0.83)
&rst
ixpk= 2170, nxpk= 0, iat=2132,2190, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 141 PHE HA 144 MET HG3 5.66 (#peak 2171 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2171, nxpk= 0, iat=2132,2191, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, /
#
# 27 ILE QG2 28 THR HA 5.74 (#peak 2172 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2172, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 396, 397, 398,
/
#
# 27 ILE QD1 28 THR HA 5.40 (#peak 2173 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2173, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 403, 404, 405,
/
#
# 28 THR HA 63 ILE QD1 5.02 (#peak 2174 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2174, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 925, 926, 927,
/
#
# 28 THR HA 52 ILE QD1 6.50 (#peak 2175 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2175, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 785, 786, 787,
/
#
# 28 THR HA 29 THR QG2 4.12 (#peak 2177 #SUP 1.00)
&rst
ixpk= 2177, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 429, 430, 431,
/
#
# 28 THR HA 63 ILE HG13 5.44 (#peak 2180 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2180, nxpk= 0, iat= 411, 923, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, /
#
# 27 ILE HB 28 THR HA 5.25 (#peak 2181 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2181, nxpk= 0, iat= 394, 411, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, /
#
# 28 THR HA 63 ILE HB 5.51 (#peak 2183 #SUP 0.82 #QF 0.82)
&rst
ixpk= 2183, nxpk= 0, iat= 411, 916, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, /
#
# 28 THR HA 28 THR HB 2.94 (#peak 2188 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2188, nxpk= 0, iat= 411, 413, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, /
#
# 91 VAL QG2 157 GLU HA 4.50 (#peak 2193 #SUP 1.00)
&rst
ixpk= 2193, nxpk= 0, iat= -1,2392, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1390,1391,1392,
/
#
# 157 GLU HA 157 GLU HG2 3.06 (#peak 2194 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2194, nxpk= 0, iat=2392,2397, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, /
#
# 157 GLU HA 157 GLU HG3 3.46 (#peak 2195 #SUP 1.00)
&rst
ixpk= 2195, nxpk= 0, iat=2392,2398, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, /
#
# 157 GLU HA 160 SER HB3 4.57 (#peak 2197 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2197, nxpk= 0, iat=2392,2441, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, /
#
# 157 GLU HA 160 SER HB2 3.65 (#peak 2198 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2198, nxpk= 0, iat=2392,2440, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, /
#
# 154 ARG HA 157 GLU HA 4.97 (#peak 2199 #SUP 0.81 #QF 0.81)
&rst
ixpk= 2199, nxpk= 0, iat=2329,2392, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, /
#
# 145 MET HA 171 TYR HA 4.82 (#peak 2204 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2204, nxpk= 0, iat=2202,2636, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, /
#
# 170 ARG HB3 171 TYR HA 4.44 (#peak 2207 #SUP 0.77 #QF 0.77)
&rst
ixpk= 2207, nxpk= 0, iat=2615,2636, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, /
#
# 129 ASP HA 136 VAL HA 4.27 (#peak 2214 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2214, nxpk= 0, iat=1965,2051, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, /
#
# 105 LEU QD2 138 TYR QD 6.26 (#peak 2220 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2220, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.44, r4= 8.94,
igr1=1589,1590,1591,
igr2=2087,2096,
/
#
# 16 PHE HA 35 VAL QG2 3.46 (#peak 2221 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2221, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 524, 525, 526,
/
#
# 32 LEU HA 35 VAL QG2 3.92 (#peak 2221 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2221, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 524, 525, 526,
/
#
# 16 PHE HB2 35 VAL QG2 5.03 (#peak 2227 #SUP 1.00)
&rst
ixpk= 2227, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 524, 525, 526,
/
#
# 35 VAL QG2 36 MET HG3 5.37 (#peak 2228 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2228, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 524, 525, 526,
/
#
# 27 ILE QG2 35 VAL QG2 4.31 (#peak 2233 #SUP 1.00)
&rst
ixpk= 2233, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 396, 397, 398,
igr2= 524, 525, 526,
/
#
# 35 VAL HA 35 VAL QG2 3.21 (#peak 2234 #SUP 1.00)
&rst
ixpk= 2234, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 524, 525, 526,
/
#
# 35 VAL QG2 68 PHE QE 4.71 (#peak 2236 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2236, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 524, 525, 526,
igr2=1002,1006,
/
#
# 89 PHE QD 142 VAL QG1 3.76 (#peak 2238 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2238, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1344,1352,
igr2=2156,2157,2158,
/
#
# 89 PHE QE 142 VAL QG1 3.93 (#peak 2239 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2239, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1346,1350,
igr2=2156,2157,2158,
/
#
# 4 LEU HA 4 LEU QD2 4.21 (#peak 2242 #SUP 0.98 #QF 0.58)
&rst
ixpk= 2242, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 56, 57, 58,
/
#
# 116 LEU HG 168 TYR QD 5.69 (#peak 2243 #SUP 0.76 #QF 0.76)
&rst
ixpk= 2243, nxpk= 0, iat=1767, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=2573,2582,
/
#
# 4 LEU HB3 9 ILE QD1 3.52 (#peak 2249 #SUP 0.83 #QF 0.83)
&rst
ixpk= 2249, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 136, 137, 138,
/
#
# 116 LEU HA 121 VAL HB 4.92 (#peak 2258 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2258, nxpk= 0, iat=1762,1839, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, /
#
# 67 GLU HB3 70 THR HB 5.98 (#peak 2260 #SUP 1.00)
&rst
ixpk= 2260, nxpk= 0, iat= 982,1035, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, /
#
# 129 ASP HA 136 VAL QG1 4.85 (#peak 2273 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2273, nxpk= 0, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=2055,2056,2057,
/
#
# 129 ASP HA 130 ILE QD1 6.50 (#peak 2274 #SUP 0.98 #QF 0.94)
&rst
ixpk= 2274, nxpk= 0, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1988,1989,1990,
/
#
# 129 ASP HA 130 ILE QG2 5.49 (#peak 2275 #SUP 0.63 #QF 0.63)
&rst
ixpk= 2275, nxpk= 0, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1981,1982,1983,
/
#
# 85 ILE HA 85 ILE QD1 3.94 (#peak 2286 #SUP 1.00)
&rst
ixpk= 2286, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1281,1282,1283,
/
#
# 82 GLU HA 85 ILE QD1 3.30 (#peak 2287 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2287, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1281,1282,1283,
/
#
# 80 ASP HB3 85 ILE QD1 4.51 (#peak 2288 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2288, nxpk= 0, iat=1205, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1281,1282,1283,
/
#
# 80 ASP HB2 85 ILE QD1 4.51 (#peak 2289 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2289, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1281,1282,1283,
/
#
# 80 ASP HA 85 ILE QD1 4.85 (#peak 2292 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2292, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1281,1282,1283,
/
#
# 85 ILE HA 163 ILE QG2 2.92 (#peak 2298 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2298, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=2482,2483,2484,
/
#
# 85 ILE HA 164 ILE HA 5.16 (#peak 2302 #SUP 1.00)
&rst
ixpk= 2302, nxpk= 0, iat=1270,2497, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, /
#
# 85 ILE QD1 142 VAL HA 4.10 (#peak 2305 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2305, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1281,1282,1283,
/
#
# 85 ILE HB 85 ILE QD1 2.85 (#peak 2306 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2306, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2=1281,1282,1283,
/
#
# 52 ILE HB 52 ILE QD1 4.25 (#peak 2309 #SUP 1.00 #QF 0.59)
&rst
ixpk= 2309, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 785, 786, 787,
/
#
# 85 ILE HA 85 ILE HG12 4.07 (#peak 2310 #SUP 1.00)
&rst
ixpk= 2310, nxpk= 0, iat=1270,1278, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, /
#
# 9 ILE HA 9 ILE HG13 3.88 (#peak 2316 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2316, nxpk= 0, iat= 125, 134, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, /
#
# 161 ALA HA 164 ILE QD1 3.42 (#peak 2327 #SUP 1.00)
&rst
ixpk= 2327, nxpk= 0, iat=2449, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=2508,2509,2510,
/
#
# 161 ALA HA 164 ILE QG2 4.69 (#peak 2332 #SUP 1.00)
&rst
ixpk= 2332, nxpk= 0, iat=2449, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=2501,2502,2503,
/
#
# 161 ALA HA 163 ILE HB 5.20 (#peak 2334 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2334, nxpk= 0, iat=2449,2480, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, /
#
# 161 ALA HA 164 ILE HB 3.47 (#peak 2336 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2336, nxpk= 0, iat=2449,2499, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, /
#
# 161 ALA HA 164 ILE HA 6.15 (#peak 2341 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2341, nxpk= 0, iat=2449,2497, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, /
#
# 160 SER HA 164 ILE QD1 4.67 (#peak 2351 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2351, nxpk= 0, iat=2438, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2508,2509,2510,
/
#
# 92 PHE QE 160 SER HA 5.47 (#peak 2356 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2356, nxpk= 0, iat= -1,2438, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1406,1410,
/
#
# 89 PHE HA 89 PHE QE 4.22 (#peak 2359 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2359, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1346,1350,
/
#
# 112 LEU HA 112 LEU HG 3.64 (#peak 2362 #SUP 0.77 #QF 0.77)
&rst
ixpk= 2362, nxpk= 0, iat=1699,1704, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, /
#
# 56 ASP HA 57 ALA HA 4.75 (#peak 2369 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2369, nxpk= 0, iat= 838, 850, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, /
#
# 53 ASN HA 57 ALA HA 4.58 (#peak 2370 #SUP 0.44 #QF 0.44)
&rst
ixpk= 2370, nxpk= 0, iat= 793, 850, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, /
#
# 56 ASP HB3 57 ALA HA 5.11 (#peak 2374 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2374, nxpk= 0, iat= 841, 850, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, /
#
# 110 THR QG2 111 ASN HA 5.90 (#peak 2382 #SUP 1.00)
&rst
ixpk= 2382, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=1675,1676,1677,
/
#
# 80 ASP HB3 167 ALA HA 5.56 (#peak 2389 #SUP 0.91 #QF 0.55)
&rst
ixpk= 2389, nxpk= 0, iat=1205,2557, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, /
#
# 92 PHE HA 108 VAL QG1 5.37 (#peak 2402 #SUP 1.00)
&rst
ixpk= 2402, nxpk= 0, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1642,1643,1644,
/
#
# 105 LEU HA 108 VAL QG1 4.63 (#peak 2406 #SUP 1.00)
&rst
ixpk= 2406, nxpk= 0, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1642,1643,1644,
/
#
# 108 VAL HA 108 VAL QG1 3.32 (#peak 2409 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2409, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1642,1643,1644,
/
#
# 92 PHE HB2 108 VAL QG1 5.10 (#peak 2412 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2412, nxpk= 0, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1642,1643,1644,
/
#
# 108 VAL QG1 109 MET HG3 6.06 (#peak 2413 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2413, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1642,1643,1644,
/
#
# 108 VAL QG1 109 MET HG2 6.06 (#peak 2414 #SUP 1.00)
&rst
ixpk= 2414, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1642,1643,1644,
/
#
# 108 VAL QG1 109 MET QE 3.74 (#peak 2419 #SUP 1.00)
&rst
ixpk= 2419, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1642,1643,1644,
igr2=1663,1664,1665,
/
#
# 108 VAL QG1 161 ALA QB 4.14 (#peak 2422 #SUP 1.00)
&rst
ixpk= 2422, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1642,1643,1644,
igr2=2451,2452,2453,
/
#
# 108 VAL QG1 164 ILE QD1 4.92 (#peak 2428 #SUP 1.00)
&rst
ixpk= 2428, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=1642,1643,1644,
igr2=2508,2509,2510,
/
#
# 92 PHE HB3 164 ILE QD1 5.56 (#peak 2430 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2430, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2=2508,2509,2510,
/
#
# 106 ARG HD2 110 THR QG2 5.33 (#peak 2432 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2432, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1675,1676,1677,
/
#
# 138 TYR HA 141 PHE HB3 3.83 (#peak 2449 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2449, nxpk= 0, iat=2081,2135, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, /
#
# 86 ARG HA 89 PHE HB3 4.17 (#peak 2454 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2454, nxpk= 0, iat=1289,1341, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, /
#
# 16 PHE QE 68 PHE HB3 4.50 (#peak 2470 #SUP 0.99 #QF 0.98)
&rst
ixpk= 2470, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 244, 248,
/
#
# 33 GLY HA2 36 MET HG2 5.36 (#peak 2471 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2471, nxpk= 0, iat= 495, 537, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, /
#
# 33 GLY HA2 36 MET HG3 5.17 (#peak 2472 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2472, nxpk= 0, iat= 495, 538, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, /
#
# 36 MET HA 36 MET HG3 3.72 (#peak 2474 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2474, nxpk= 0, iat= 532, 538, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, /
#
# 32 LEU HA 36 MET HG3 5.02 (#peak 2476 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2476, nxpk= 0, iat= 476, 538, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, /
#
# 36 MET HG3 72 MET QE 5.26 (#peak 2479 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2479, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1073,1074,1075,
/
#
# 32 LEU HG 36 MET HG2 5.36 (#peak 2481 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2481, nxpk= 0, iat= 481, 537, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, /
#
# 36 MET HG3 36 MET QE 3.48 (#peak 2483 #SUP 1.00)
&rst
ixpk= 2483, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 541, 542, 543,
/
#
# 36 MET HG3 51 MET QE 5.76 (#peak 2488 #SUP 0.98 #QF 0.26)
&rst
ixpk= 2488, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2= 766, 767, 768,
/
#
# 36 MET HG2 51 MET QE 5.49 (#peak 2489 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2489, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 766, 767, 768,
/
#
# 146 THR QG2 167 ALA QB 3.63 (#peak 2492 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2492, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=2223,2224,2225,
igr2=2559,2560,2561,
/
#
# 85 ILE QD1 167 ALA QB 2.43 (#peak 2494 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2494, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1=1281,1282,1283,
igr2=2559,2560,2561,
/
#
# 88 ALA QB 163 ILE QD1 2.75 (#peak 2496 #SUP 0.82 #QF 0.82)
&rst
ixpk= 2496, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1=1330,1331,1332,
igr2=2489,2490,2491,
/
#
# 28 THR HA 28 THR QG2 2.86 (#peak 2498 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2498, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 415, 416, 417,
/
#
# 138 TYR HA 141 PHE HB2 3.83 (#peak 2526 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2526, nxpk= 0, iat=2081,2134, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, /
#
# 47 GLU HA 50 ASP HB3 4.12 (#peak 2528 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2528, nxpk= 0, iat= 694, 748, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, /
#
# 106 ARG HA 125 ILE QD1 3.73 (#peak 2530 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2530, nxpk= 0, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1908,1909,1910,
/
#
# 106 ARG HA 106 ARG HD2 4.91 (#peak 2536 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2536, nxpk= 0, iat=1597,1605, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, /
#
# 106 ARG HA 106 ARG HD3 4.91 (#peak 2537 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2537, nxpk= 0, iat=1597,1606, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, /
#
# 106 ARG HG2 121 VAL QG1 5.14 (#peak 2540 #SUP 0.94 #QF 0.87)
&rst
ixpk= 2540, nxpk= 0, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1841,1842,1843,
/
#
# 86 ARG HA 86 ARG HG3 3.63 (#peak 2559 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2559, nxpk= 0, iat=1289,1295, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, /
#
# 86 ARG HA 142 VAL HB 5.12 (#peak 2562 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2562, nxpk= 0, iat=1289,2154, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, /
#
# 67 GLU HG3 68 PHE HA 6.07 (#peak 2565 #SUP 1.00 #QF 0.63)
&rst
ixpk= 2565, nxpk= 0, iat= 985, 994, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, /
#
# 68 PHE HA 71 MET HG3 6.50 (#peak 2565 #SUP 1.00 #QF 0.63)
&rst
ixpk= 2565, nxpk= 0, iat= 994,1053, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 68 PHE HA 71 MET HG2 4.51 (#peak 2566 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2566, nxpk= 0, iat= 994,1052, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, /
#
# 68 PHE HA 71 MET QE 3.35 (#peak 2567 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2567, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1056,1057,1058,
/
#
# 68 PHE HA 71 MET HB3 4.90 (#peak 2571 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2571, nxpk= 0, iat= 994,1050, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, /
#
# 17 SER HA 20 ASP HB2 3.30 (#peak 2572 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2572, nxpk= 0, iat= 256, 308, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 17 SER HA 20 ASP HB3 3.42 (#peak 2573 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2573, nxpk= 0, iat= 256, 309, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, /
#
# 17 SER HA 20 ASP HA 4.52 (#peak 2574 #SUP 1.00)
&rst
ixpk= 2574, nxpk= 0, iat= 256, 306, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, /
#
# 165 GLN HA 168 TYR HB3 3.92 (#peak 2576 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2576, nxpk= 0, iat=2516,2570, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, /
#
# 165 GLN HA 168 TYR HB2 3.89 (#peak 2577 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2577, nxpk= 0, iat=2516,2569, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, /
#
# 63 ILE HA 67 GLU HB2 4.51 (#peak 2578 #SUP 0.78 #QF 0.78)
&rst
ixpk= 2578, nxpk= 0, iat= 914, 981, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, /
#
# 63 ILE HA 67 GLU HG2 5.03 (#peak 2579 #SUP 0.90 #QF 0.29)
&rst
ixpk= 2579, nxpk= 0, iat= 914, 984, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, /
#
# 138 TYR HA 141 PHE HA 4.68 (#peak 2580 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2580, nxpk= 0, iat=2081,2132, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, /
#
# 128 ALA HA 141 PHE HA 4.36 (#peak 2581 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2581, nxpk= 0, iat=1955,2132, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, /
#
# 100 ILE HA 100 ILE QD1 3.89 (#peak 2584 #SUP 1.00)
&rst
ixpk= 2584, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1524,1525,1526,
/
#
# 100 ILE HA 100 ILE HG13 3.91 (#peak 2586 #SUP 1.00 #QF 0.40)
&rst
ixpk= 2586, nxpk= 0, iat=1513,1522, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, /
#
# 101 SER HA 135 GLN HG2 4.83 (#peak 2590 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2590, nxpk= 0, iat=1532,2039, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, /
#
# 101 SER HA 135 GLN HG3 4.23 (#peak 2592 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2592, nxpk= 0, iat=1532,2040, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, /
#
# 101 SER HA 102 ALA QB 4.75 (#peak 2594 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2594, nxpk= 0, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1545,1546,1547,
/
#
# 100 ILE QG2 101 SER HA 4.65 (#peak 2595 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2595, nxpk= 0, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1517,1518,1519,
/
#
# 101 SER HA 136 VAL QG2 6.08 (#peak 2596 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2596, nxpk= 0, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=2059,2060,2061,
/
#
# 69 LEU HA 72 MET HG3 4.13 (#peak 2600 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2600, nxpk= 0, iat=1014,1070, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, /
#
# 69 LEU HA 69 LEU HG 4.07 (#peak 2602 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2602, nxpk= 0, iat=1014,1019, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, /
#
# 69 LEU HA 72 MET HB2 4.19 (#peak 2603 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2603, nxpk= 0, iat=1014,1066, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, /
#
# 69 LEU HA 72 MET HG2 3.79 (#peak 2604 #SUP 1.00)
&rst
ixpk= 2604, nxpk= 0, iat=1014,1069, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, /
#
# 66 PRO HA 69 LEU HA 5.38 (#peak 2608 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2608, nxpk= 0, iat= 973,1014, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, /
#
# 37 ARG HA 43 PRO HD3 5.34 (#peak 2619 #SUP 1.00)
&rst
ixpk= 2619, nxpk= 0, iat= 549, 641, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, /
#
# 119 GLU HA 122 ASP HB3 3.58 (#peak 2622 #SUP 0.77 #QF 0.77)
&rst
ixpk= 2622, nxpk= 0, iat=1807,1856, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, /
#
# 13 LYS HA 16 PHE HB3 3.73 (#peak 2623 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2623, nxpk= 0, iat= 189, 239, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, /
#
# 13 LYS HA 16 PHE HB2 4.19 (#peak 2624 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2624, nxpk= 0, iat= 189, 238, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, /
#
# 13 LYS HA 13 LYS HD3 4.29 (#peak 2625 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2625, nxpk= 0, iat= 189, 198, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, /
#
# 13 LYS HA 13 LYS HG3 3.81 (#peak 2626 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2626, nxpk= 0, iat= 189, 195, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, /
#
# 169 ARG HA 172 LEU QD1 3.86 (#peak 2630 #SUP 0.99 #QF 0.49)
&rst
ixpk= 2630, nxpk= 0, iat=2588, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=2664,2665,2666,
/
#
# 169 ARG HA 172 LEU QD2 3.86 (#peak 2630 #SUP 0.99 #QF 0.49)
&rst
ixpk= 2630, nxpk= 0, iat=2588, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=2668,2669,2670,
/
#
# 169 ARG HA 172 LEU HB2 3.61 (#peak 2631 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2631, nxpk= 0, iat=2588,2659, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, /
#
# 169 ARG HA 169 ARG HG3 3.89 (#peak 2634 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2634, nxpk= 0, iat=2588,2594, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, /
#
# 169 ARG HA 169 ARG HG2 3.89 (#peak 2638 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2638, nxpk= 0, iat=2588,2593, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, /
#
# 168 TYR QD 169 ARG HG2 6.16 (#peak 2639 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2639, nxpk= 0, iat= -1,2593, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=2573,2582,
/
#
# 162 ILE QG2 166 ARG HG3 4.10 (#peak 2668 #SUP 0.72 #QF 0.72)
&rst
ixpk= 2668, nxpk= 0, iat= -1,2539, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=2463,2464,2465,
/
#
# 120 GLU HA 123 GLU HB3 3.41 (#peak 2676 #SUP 1.00 #QF 0.33)
&rst
ixpk= 2676, nxpk= 0, iat=1822,1868, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, /
#
# 170 ARG HA 170 ARG HD2 3.74 (#peak 2679 #SUP 0.70 #QF 0.70)
&rst
ixpk= 2679, nxpk= 0, iat=2612,2620, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, /
#
# 163 ILE HA 166 ARG HB2 4.09 (#peak 2681 #SUP 0.74 #QF 0.74)
&rst
ixpk= 2681, nxpk= 0, iat=2478,2535, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, /
#
# 15 ALA HA 39 LEU QD1 5.00 (#peak 2695 #SUP 1.00)
&rst
ixpk= 2695, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 591, 592, 593,
/
#
# 15 ALA HA 39 LEU QD2 5.00 (#peak 2696 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2696, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 595, 596, 597,
/
#
# 15 ALA HA 18 LEU QD2 4.44 (#peak 2697 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2697, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 278, 279, 280,
/
#
# 15 ALA HA 35 VAL QG1 5.37 (#peak 2699 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2699, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 520, 521, 522,
/
#
# 15 ALA HA 35 VAL QG2 5.37 (#peak 2700 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2700, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 524, 525, 526,
/
#
# 53 ASN HA 57 ALA QB 5.27 (#peak 2701 #SUP 0.81 #QF 0.64)
&rst
ixpk= 2701, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 852, 853, 854,
/
#
# 18 LEU HA 18 LEU HG 3.70 (#peak 2705 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2705, nxpk= 0, iat= 267, 272, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, /
#
# 15 ALA HA 18 LEU HG 5.62 (#peak 2706 #SUP 0.99 #QF 0.98)
&rst
ixpk= 2706, nxpk= 0, iat= 226, 272, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, /
#
# 18 LEU HG 19 PHE HA 6.50 (#peak 2706 #SUP 0.99 #QF 0.98)
&rst
ixpk= 2706, nxpk= 0, iat= 272, 286, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 173 LEU HA 173 LEU HG 3.26 (#peak 2707 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2707, nxpk= 0, iat=2676,2681, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, /
#
# 11 GLU HA 11 GLU HG2 3.44 (#peak 2709 #SUP 0.78 #QF 0.62)
&rst
ixpk= 2709, nxpk= 0, iat= 154, 159, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, /
#
# 11 GLU HA 11 GLU HG3 3.44 (#peak 2712 #SUP 0.59 #QF 0.59)
&rst
ixpk= 2712, nxpk= 0, iat= 154, 160, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, /
#
# 55 VAL QG1 67 GLU HG2 4.00 (#peak 2713 #SUP 0.57 #QF 0.30)
&rst
ixpk= 2713, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 826, 827, 828,
/
#
# 19 PHE HA 27 ILE QD1 6.26 (#peak 2719 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2719, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr2= 403, 404, 405,
/
#
# 101 SER HA 136 VAL QG1 6.08 (#peak 2721 #SUP 1.00)
&rst
ixpk= 2721, nxpk= 0, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=2055,2056,2057,
/
#
# 100 ILE QD1 101 SER HA 6.50 (#peak 2722 #SUP 0.75 #QF 0.75)
&rst
ixpk= 2722, nxpk= 0, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1=1524,1525,1526,
/
#
# 163 ILE HA 166 ARG HD2 5.29 (#peak 2723 #SUP 1.00)
&rst
ixpk= 2723, nxpk= 0, iat=2478,2541, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, /
#
# 163 ILE HA 166 ARG HD3 5.29 (#peak 2724 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2724, nxpk= 0, iat=2478,2542, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, /
#
# 163 ILE HA 163 ILE HG13 3.30 (#peak 2726 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2726, nxpk= 0, iat=2478,2487, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 88 ALA QB 163 ILE HA 4.92 (#peak 2727 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2727, nxpk= 0, iat= -1,2478, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1330,1331,1332,
/
#
# 163 ILE HA 163 ILE HG12 3.30 (#peak 2728 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2728, nxpk= 0, iat=2478,2486, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 159 VAL HA 159 VAL QG2 3.20 (#peak 2730 #SUP 1.00)
&rst
ixpk= 2730, nxpk= 0, iat=2422, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=2430,2431,2432,
/
#
# 159 VAL HA 162 ILE QD1 3.75 (#peak 2732 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2732, nxpk= 0, iat=2422, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=2470,2471,2472,
/
#
# 159 VAL HA 162 ILE HB 3.66 (#peak 2734 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2734, nxpk= 0, iat=2422,2461, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, /
#
# 159 VAL HA 161 ALA QB 5.15 (#peak 2736 #SUP 0.63 #QF 0.63)
&rst
ixpk= 2736, nxpk= 0, iat=2422, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=2451,2452,2453,
/
#
# 164 ILE HA 164 ILE HG12 4.04 (#peak 2740 #SUP 1.00)
&rst
ixpk= 2740, nxpk= 0, iat=2497,2505, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, /
#
# 164 ILE HA 164 ILE QD1 3.88 (#peak 2741 #SUP 1.00)
&rst
ixpk= 2741, nxpk= 0, iat=2497, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=2508,2509,2510,
/
#
# 164 ILE HA 164 ILE QG2 3.06 (#peak 2742 #SUP 1.00)
&rst
ixpk= 2742, nxpk= 0, iat=2497, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=2501,2502,2503,
/
#
# 85 ILE QD1 164 ILE HA 3.88 (#peak 2743 #SUP 0.96 #QF 0.33)
&rst
ixpk= 2743, nxpk= 0, iat= -1,2497, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1281,1282,1283,
/
#
# 85 ILE QG2 164 ILE HA 3.74 (#peak 2744 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2744, nxpk= 0, iat= -1,2497, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1274,1275,1276,
/
#
# 145 MET QE 164 ILE HA 3.71 (#peak 2748 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2748, nxpk= 0, iat= -1,2497, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=2211,2212,2213,
/
#
# 35 VAL HA 35 VAL QG1 3.21 (#peak 2749 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2749, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 520, 521, 522,
/
#
# 34 THR QG2 35 VAL HA 4.15 (#peak 2751 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2751, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 506, 507, 508,
/
#
# 34 THR HA 35 VAL HA 4.76 (#peak 2753 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2753, nxpk= 0, iat= 502, 516, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, /
#
# 34 THR HB 35 VAL HA 4.30 (#peak 2754 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2754, nxpk= 0, iat= 504, 516, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, /
#
# 35 VAL HA 38 SER HB3 4.07 (#peak 2755 #SUP 1.00)
&rst
ixpk= 2755, nxpk= 0, iat= 516, 576, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, /
#
# 35 VAL HA 38 SER HB2 4.07 (#peak 2756 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2756, nxpk= 0, iat= 516, 575, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, /
#
# 84 GLU HB2 163 ILE QD1 4.92 (#peak 2772 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2772, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=2489,2490,2491,
/
#
# 112 LEU HB3 158 GLU HA 3.22 (#peak 2774 #SUP 0.88 #QF 0.60)
&rst
ixpk= 2774, nxpk= 0, iat=1702,2407, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, /
#
# 112 LEU HA 158 GLU HA 4.86 (#peak 2775 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2775, nxpk= 0, iat=1699,2407, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, /
#
# 124 MET HA 124 MET HG3 3.26 (#peak 2780 #SUP 0.74 #QF 0.74)
&rst
ixpk= 2780, nxpk= 0, iat=1880,1886, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, /
#
# 82 GLU HA 85 ILE HB 3.45 (#peak 2781 #SUP 0.97 #QF 0.21)
&rst
ixpk= 2781, nxpk= 0, iat=1225,1272, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, /
#
# 8 GLN HA 11 GLU HB3 3.19 (#peak 2788 #SUP 0.34 #QF 0.34)
&rst
ixpk= 2788, nxpk= 0, iat= 108, 157, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, /
#
# 86 ARG HA 86 ARG HG2 3.63 (#peak 2796 #SUP 0.50 #QF 0.50)
&rst
ixpk= 2796, nxpk= 0, iat=1289,1294, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, /
#
# 163 ILE QG2 163 ILE HG12 3.67 (#peak 2801 #SUP 1.00)
&rst
ixpk= 2801, nxpk= 0, iat= -1,2486, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2482,2483,2484,
/
#
# 82 GLU HA 142 VAL HB 6.50 (#peak 2804 #SUP 0.95 #QF 0.68)
&rst
ixpk= 2804, nxpk= 0, iat=1225,2154, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 142 VAL HB 143 GLN HA 6.50 (#peak 2804 #SUP 0.95 #QF 0.68)
&rst
ixpk= 2804, nxpk= 0, iat=2154,2168, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 141 PHE HA 144 MET HB3 3.28 (#peak 2809 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2809, nxpk= 0, iat=2132,2188, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, /
#
# 144 MET HA 144 MET HG3 3.01 (#peak 2812 #SUP 0.72 #QF 0.72)
&rst
ixpk= 2812, nxpk= 0, iat=2185,2191, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, /
#
# 106 ARG HA 109 MET HG3 4.72 (#peak 2813 #SUP 1.00)
&rst
ixpk= 2813, nxpk= 0, iat=1597,1660, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, /
#
# 106 ARG HA 109 MET HG2 4.72 (#peak 2814 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2814, nxpk= 0, iat=1597,1659, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, /
#
# 128 ALA HA 144 MET QE 3.87 (#peak 2815 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2815, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2194,2195,2196,
/
#
# 144 MET HG3 144 MET QE 3.28 (#peak 2817 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2817, nxpk= 0, iat=2191, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=2194,2195,2196,
/
#
# 144 MET HG2 144 MET QE 3.00 (#peak 2818 #SUP 0.91 #QF 0.52)
&rst
ixpk= 2818, nxpk= 0, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2194,2195,2196,
/
#
# 36 MET HG2 36 MET QE 3.18 (#peak 2825 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2825, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 541, 542, 543,
/
#
# 145 MET QE 168 TYR HB2 4.15 (#peak 2827 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2827, nxpk= 0, iat= -1,2569, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=2211,2212,2213,
/
#
# 144 MET QE 145 MET HA 4.20 (#peak 2828 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2828, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2194,2195,2196,
/
#
# 127 GLU HA 144 MET QE 3.92 (#peak 2829 #SUP 0.73 #QF 0.73)
&rst
ixpk= 2829, nxpk= 0, iat=1940, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2194,2195,2196,
/
#
# 71 MET HG2 71 MET QE 3.17 (#peak 2835 #SUP 1.00 #QF 0.97)
&rst
ixpk= 2835, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1056,1057,1058,
/
#
# 71 MET HA 71 MET HG2 3.77 (#peak 2837 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2837, nxpk= 0, iat=1047,1052, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, /
#
# 108 VAL QG2 109 MET HG3 6.06 (#peak 2846 #SUP 0.98 #QF 0.62)
&rst
ixpk= 2846, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1646,1647,1648,
/
#
# 124 MET HA 124 MET HG2 3.84 (#peak 2855 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2855, nxpk= 0, iat=1880,1885, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, /
#
# 105 LEU HB3 109 MET HG2 5.52 (#peak 2858 #SUP 0.99 #QF 0.79)
&rst
ixpk= 2858, nxpk= 0, iat=1581,1659, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, /
#
# 105 LEU HB3 109 MET HG3 5.52 (#peak 2859 #SUP 0.96 #QF 0.90)
&rst
ixpk= 2859, nxpk= 0, iat=1581,1660, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, /
#
# 109 MET HG2 124 MET QE 4.64 (#peak 2861 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2861, nxpk= 0, iat=1659, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1889,1890,1891,
/
#
# 109 MET HG3 124 MET QE 4.64 (#peak 2863 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2863, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1889,1890,1891,
/
#
# 105 LEU QD2 109 MET HG2 4.85 (#peak 2866 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2866, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1589,1590,1591,
/
#
# 36 MET HG3 43 PRO HD3 5.22 (#peak 2873 #SUP 1.00)
&rst
ixpk= 2873, nxpk= 0, iat= 538, 641, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, /
#
# 36 MET HG2 43 PRO HD3 5.11 (#peak 2874 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2874, nxpk= 0, iat= 537, 641, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, /
#
# 36 MET HG3 68 PHE QD 5.88 (#peak 2875 #SUP 1.00)
&rst
ixpk= 2875, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2=1000,1008,
/
#
# 33 GLY HA3 36 MET HB2 4.75 (#peak 2884 #SUP 0.98 #QF 0.97)
&rst
ixpk= 2884, nxpk= 0, iat= 496, 534, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, /
#
# 33 GLY HA2 36 MET HB3 4.90 (#peak 2885 #SUP 0.63 #QF 0.63)
&rst
ixpk= 2885, nxpk= 0, iat= 495, 535, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, /
#
# 36 MET HA 36 MET QE 3.93 (#peak 2893 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2893, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 541, 542, 543,
/
#
# 71 MET HG2 72 MET HG2 5.27 (#peak 2894 #SUP 1.00 #QF 0.94)
&rst
ixpk= 2894, nxpk= 0, iat=1052,1069, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, /
#
# 41 GLN HG3 72 MET QE 4.96 (#peak 2897 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2897, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1073,1074,1075,
/
#
# 55 VAL HB 63 ILE QG2 4.57 (#peak 2904 #SUP 0.50 #QF 0.33)
&rst
ixpk= 2904, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 918, 919, 920,
/
#
# 55 VAL HB 63 ILE HG12 4.79 (#peak 2904 #SUP 0.50 #QF 0.33)
&rst
ixpk= 2904, nxpk= 0, iat= 824, 922, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, /
#
# 113 GLY HA2 162 ILE HG12 4.20 (#peak 2906 #SUP 1.00)
&rst
ixpk= 2906, nxpk= 0, iat=1718,2467, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, /
#
# 113 GLY HA3 162 ILE HG12 4.79 (#peak 2907 #SUP 0.68 #QF 0.68)
&rst
ixpk= 2907, nxpk= 0, iat=1719,2467, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, /
#
# 27 ILE QG2 31 GLU HA 6.50 (#peak 2918 #SUP 1.00)
&rst
ixpk= 2918, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 396, 397, 398,
/
#
# 31 GLU HA 32 LEU HA 5.36 (#peak 2921 #SUP 0.98 #QF 0.92)
&rst
ixpk= 2921, nxpk= 0, iat= 461, 476, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, /
#
# 122 ASP HA 125 ILE HB 3.76 (#peak 2937 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2937, nxpk= 0, iat=1853,1899, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, /
#
# 88 ALA HA 91 VAL QG1 4.09 (#peak 2942 #SUP 1.00)
&rst
ixpk= 2942, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1386,1387,1388,
/
#
# 88 ALA HA 164 ILE QD1 4.49 (#peak 2943 #SUP 1.00)
&rst
ixpk= 2943, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2508,2509,2510,
/
#
# 4 LEU QD1 73 ALA HA 4.23 (#peak 2944 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2944, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 52, 53, 54,
/
#
# 46 ALA HA 49 GLN HB3 3.30 (#peak 2947 #SUP 0.76 #QF 0.76)
&rst
ixpk= 2947, nxpk= 0, iat= 684, 731, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 4 LEU HG 73 ALA HA 4.60 (#peak 2952 #SUP 1.00)
&rst
ixpk= 2952, nxpk= 0, iat= 50,1081, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, /
#
# 73 ALA HA 76 MET QE 5.05 (#peak 2953 #SUP 1.00)
&rst
ixpk= 2953, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1146,1147,1148,
/
#
# 102 ALA HA 105 LEU HB2 4.24 (#peak 2955 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2955, nxpk= 0, iat=1543,1580, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, /
#
# 100 ILE QG2 102 ALA HA 4.32 (#peak 2957 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2957, nxpk= 0, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1517,1518,1519,
/
#
# 102 ALA HA 136 VAL HB 5.12 (#peak 2958 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2958, nxpk= 0, iat=1543,2053, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, /
#
# 102 ALA HA 125 ILE QG2 3.86 (#peak 2959 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2959, nxpk= 0, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1901,1902,1903,
/
#
# 102 ALA HA 134 GLY HA2 5.62 (#peak 2965 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2965, nxpk= 0, iat=1543,2027, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, /
#
# 102 ALA HA 135 GLN HA 5.19 (#peak 2966 #SUP 0.33 #QF 0.33)
&rst
ixpk= 2966, nxpk= 0, iat=1543,2034, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, /
#
# 101 SER HA 102 ALA HA 4.89 (#peak 2967 #SUP 0.94 #QF 0.91)
&rst
ixpk= 2967, nxpk= 0, iat=1532,1543, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, /
#
# 125 ILE HA 125 ILE QG2 3.14 (#peak 2986 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2986, nxpk= 0, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1901,1902,1903,
/
#
# 125 ILE QG2 129 ASP HA 5.63 (#peak 2989 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2989, nxpk= 0, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=1901,1902,1903,
/
#
# 52 ILE QG2 53 ASN HA 3.98 (#peak 2990 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2990, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 778, 779, 780,
/
#
# 122 ASP HA 125 ILE QG2 4.76 (#peak 2991 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2991, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1901,1902,1903,
/
#
# 86 ARG HA 89 PHE QE 5.12 (#peak 2993 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2993, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1346,1350,
/
#
# 164 ILE HA 167 ALA QB 3.32 (#peak 2999 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2999, nxpk= 0, iat=2497, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=2559,2560,2561,
/
#
# 85 ILE HA 88 ALA QB 3.20 (#peak 3000 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3000, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1330,1331,1332,
/
#
# 88 ALA QB 160 SER HB3 3.30 (#peak 3002 #SUP 0.87 #QF 0.87)
&rst
ixpk= 3002, nxpk= 0, iat= -1,2441, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1330,1331,1332,
/
#
# 88 ALA QB 160 SER HA 3.03 (#peak 3004 #SUP 1.00 #QF 0.99)
&rst
ixpk= 3004, nxpk= 0, iat= -1,2438, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1330,1331,1332,
/
#
# 8 GLN HB2 12 PHE QD 5.64 (#peak 3010 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3010, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 175, 183,
/
#
# 170 ARG HA 170 ARG HG3 3.89 (#peak 3018 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3018, nxpk= 0, iat=2612,2618, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, /
#
# 170 ARG HA 170 ARG HG2 3.89 (#peak 3019 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3019, nxpk= 0, iat=2612,2617, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, /
#
# 74 ARG HA 74 ARG HG3 4.19 (#peak 3026 #SUP 0.68 #QF 0.27)
&rst
ixpk= 3026, nxpk= 0, iat=1091,1097, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, /
#
# 126 ARG HA 126 ARG HG3 4.03 (#peak 3026 #SUP 0.68 #QF 0.27)
&rst
ixpk= 3026, nxpk= 0, iat=1916,1922, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, /
#
# 48 LEU HA 48 LEU HG 3.67 (#peak 3027 #SUP 0.91 #QF 0.74)
&rst
ixpk= 3027, nxpk= 0, iat= 709, 714, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, /
#
# 74 ARG HA 74 ARG HG2 4.19 (#peak 3027 #SUP 0.91 #QF 0.74)
&rst
ixpk= 3027, nxpk= 0, iat=1091,1096, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, /
#
# 126 ARG HA 126 ARG HG2 4.03 (#peak 3027 #SUP 0.91 #QF 0.74)
&rst
ixpk= 3027, nxpk= 0, iat=1916,1921, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, /
#
# 63 ILE QG2 64 ASP HB2 5.33 (#peak 3031 #SUP 1.00 #QF 0.99)
&rst
ixpk= 3031, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 918, 919, 920,
/
#
# 25 GLY HA2 64 ASP HB3 6.50 (#peak 3034 #SUP 0.88 #QF 0.24)
&rst
ixpk= 3034, nxpk= 0, iat= 371, 936, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 64 ASP HB3 66 PRO HA 6.50 (#peak 3034 #SUP 0.88 #QF 0.24)
&rst
ixpk= 3034, nxpk= 0, iat= 936, 973, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 64 ASP HB2 66 PRO HA 5.50 (#peak 3035 #SUP 0.86 #QF 0.86)
&rst
ixpk= 3035, nxpk= 0, iat= 935, 973, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 125 ILE QG2 125 ILE QD1 2.59 (#peak 3039 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3039, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1=1901,1902,1903,
igr2=1908,1909,1910,
/
#
# 109 MET HB2 125 ILE QD1 5.26 (#peak 3043 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3043, nxpk= 0, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1908,1909,1910,
/
#
# 125 ILE QD1 136 VAL HB 4.57 (#peak 3044 #SUP 0.75 #QF 0.75)
&rst
ixpk= 3044, nxpk= 0, iat= -1,2053, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1908,1909,1910,
/
#
# 105 LEU HB2 125 ILE QD1 4.42 (#peak 3045 #SUP 0.98 #QF 0.93)
&rst
ixpk= 3045, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1908,1909,1910,
/
#
# 124 MET HB3 125 ILE QD1 4.76 (#peak 3045 #SUP 0.98 #QF 0.93)
&rst
ixpk= 3045, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1908,1909,1910,
/
#
# 52 ILE HA 52 ILE QD1 4.01 (#peak 3047 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3047, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 785, 786, 787,
/
#
# 163 ILE HA 163 ILE QD1 3.91 (#peak 3051 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3051, nxpk= 0, iat=2478, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=2489,2490,2491,
/
#
# 113 GLY HA2 162 ILE QD1 3.49 (#peak 3053 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3053, nxpk= 0, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=2470,2471,2472,
/
#
# 112 LEU HA 162 ILE QD1 5.37 (#peak 3054 #SUP 0.55 #QF 0.55)
&rst
ixpk= 3054, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=2470,2471,2472,
/
#
# 160 SER HA 163 ILE QD1 2.92 (#peak 3055 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3055, nxpk= 0, iat=2438, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=2489,2490,2491,
/
#
# 9 ILE HB 9 ILE QD1 3.02 (#peak 3056 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3056, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 136, 137, 138,
/
#
# 163 ILE HB 163 ILE QD1 2.80 (#peak 3064 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3064, nxpk= 0, iat=2480, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2489,2490,2491,
/
#
# 130 ILE HB 130 ILE QD1 3.00 (#peak 3065 #SUP 0.99 #QF 0.23)
&rst
ixpk= 3065, nxpk= 0, iat=1979, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1988,1989,1990,
/
#
# 93 ASP HA 100 ILE QD1 4.14 (#peak 3072 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3072, nxpk= 0, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1524,1525,1526,
/
#
# 100 ILE QD1 138 TYR HA 4.64 (#peak 3075 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3075, nxpk= 0, iat= -1,2081, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1524,1525,1526,
/
#
# 89 PHE HA 100 ILE QD1 3.71 (#peak 3076 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3076, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1524,1525,1526,
/
#
# 90 ARG HA 100 ILE QD1 4.23 (#peak 3077 #SUP 0.84 #QF 0.84)
&rst
ixpk= 3077, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1524,1525,1526,
/
#
# 92 PHE HB3 100 ILE QD1 3.64 (#peak 3078 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3078, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1524,1525,1526,
/
#
# 92 PHE HB2 100 ILE QD1 3.55 (#peak 3079 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3079, nxpk= 0, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1524,1525,1526,
/
#
# 89 PHE HB3 100 ILE QD1 4.00 (#peak 3080 #SUP 0.99 #QF 0.97)
&rst
ixpk= 3080, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1524,1525,1526,
/
#
# 100 ILE HB 100 ILE QD1 3.04 (#peak 3081 #SUP 1.00 #QF 0.90)
&rst
ixpk= 3081, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1524,1525,1526,
/
#
# 100 ILE QG2 100 ILE QD1 2.70 (#peak 3083 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3083, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1517,1518,1519,
igr2=1524,1525,1526,
/
#
# 162 ILE HA 162 ILE QG2 3.12 (#peak 3085 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3085, nxpk= 0, iat=2459, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=2463,2464,2465,
/
#
# 162 ILE QG2 166 ARG HD3 3.47 (#peak 3087 #SUP 1.00)
&rst
ixpk= 3087, nxpk= 0, iat= -1,2542, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=2463,2464,2465,
/
#
# 162 ILE QG2 166 ARG HD2 3.47 (#peak 3088 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3088, nxpk= 0, iat= -1,2541, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=2463,2464,2465,
/
#
# 113 GLY HA2 162 ILE QG2 4.05 (#peak 3089 #SUP 0.86 #QF 0.86)
&rst
ixpk= 3089, nxpk= 0, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=2463,2464,2465,
/
#
# 159 VAL HA 162 ILE QG2 4.75 (#peak 3090 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3090, nxpk= 0, iat=2422, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=2463,2464,2465,
/
#
# 162 ILE QG2 163 ILE HA 4.05 (#peak 3091 #SUP 0.59 #QF 0.59)
&rst
ixpk= 3091, nxpk= 0, iat= -1,2478, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2463,2464,2465,
/
#
# 162 ILE QG2 166 ARG HA 5.19 (#peak 3092 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3092, nxpk= 0, iat= -1,2533, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=2463,2464,2465,
/
#
# 162 ILE QG2 165 GLN HA 5.99 (#peak 3093 #SUP 0.64 #QF 0.64)
&rst
ixpk= 3093, nxpk= 0, iat= -1,2516, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2463,2464,2465,
/
#
# 162 ILE QG2 165 GLN HB2 4.18 (#peak 3094 #SUP 1.00)
&rst
ixpk= 3094, nxpk= 0, iat= -1,2518, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=2463,2464,2465,
/
#
# 162 ILE QG2 166 ARG HG2 4.10 (#peak 3099 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3099, nxpk= 0, iat= -1,2538, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=2463,2464,2465,
/
#
# 39 LEU QD1 72 MET QE 3.70 (#peak 3101 #SUP 0.97 #QF 0.72)
&rst
ixpk= 3101, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 591, 592, 593,
igr2=1073,1074,1075,
/
#
# 72 MET HG3 72 MET QE 3.33 (#peak 3101 #SUP 0.97 #QF 0.72)
&rst
ixpk= 3101, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1073,1074,1075,
/
#
# 39 LEU QD2 72 MET QE 3.70 (#peak 3103 #SUP 0.85 #QF 0.52)
&rst
ixpk= 3103, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 595, 596, 597,
igr2=1073,1074,1075,
/
#
# 72 MET HG2 72 MET QE 3.95 (#peak 3103 #SUP 0.85 #QF 0.52)
&rst
ixpk= 3103, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1073,1074,1075,
/
#
# 39 LEU HG 72 MET QE 3.94 (#peak 3104 #SUP 0.91 #QF 0.83)
&rst
ixpk= 3104, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1073,1074,1075,
/
#
# 71 MET HG2 72 MET QE 5.27 (#peak 3110 #SUP 0.68 #QF 0.68)
&rst
ixpk= 3110, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1073,1074,1075,
/
#
# 36 MET HG2 72 MET QE 4.18 (#peak 3111 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3111, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1073,1074,1075,
/
#
# 69 LEU HA 72 MET QE 5.02 (#peak 3113 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3113, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1073,1074,1075,
/
#
# 4 LEU HA 76 MET QE 5.07 (#peak 3114 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3114, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1146,1147,1148,
/
#
# 36 MET QE 43 PRO HD2 4.46 (#peak 3119 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3119, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 541, 542, 543,
/
#
# 36 MET QE 43 PRO HA 4.90 (#peak 3123 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3123, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 541, 542, 543,
/
#
# 100 ILE QG2 105 LEU QD1 3.56 (#peak 3127 #SUP 0.97 #QF 0.96)
&rst
ixpk= 3127, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1517,1518,1519,
igr2=1585,1586,1587,
/
#
# 100 ILE QG2 136 VAL QG2 4.07 (#peak 3127 #SUP 0.97 #QF 0.96)
&rst
ixpk= 3127, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1517,1518,1519,
igr2=2059,2060,2061,
/
#
# 100 ILE QG2 136 VAL QG1 4.07 (#peak 3129 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3129, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1517,1518,1519,
igr2=2055,2056,2057,
/
#
# 100 ILE QG2 100 ILE HG13 3.32 (#peak 3131 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3131, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1=1517,1518,1519,
/
#
# 63 ILE QG2 71 MET QE 3.02 (#peak 3136 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3136, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 918, 919, 920,
igr2=1056,1057,1058,
/
#
# 92 PHE HB2 100 ILE QG2 3.84 (#peak 3137 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3137, nxpk= 0, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1517,1518,1519,
/
#
# 9 ILE HA 9 ILE QG2 3.07 (#peak 3140 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3140, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 129, 130, 131,
/
#
# 92 PHE HB3 100 ILE QG2 3.91 (#peak 3141 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3141, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1517,1518,1519,
/
#
# 6 GLU HA 9 ILE QG2 4.33 (#peak 3142 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3142, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 129, 130, 131,
/
#
# 100 ILE QG2 105 LEU HA 3.57 (#peak 3143 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3143, nxpk= 0, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1517,1518,1519,
/
#
# 9 ILE QG2 10 ALA HA 3.61 (#peak 3144 #SUP 0.76 #QF 0.76)
&rst
ixpk= 3144, nxpk= 0, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 129, 130, 131,
/
#
# 16 PHE HZ 63 ILE QG2 4.51 (#peak 3145 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3145, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 918, 919, 920,
/
#
# 9 ILE QG2 13 LYS HA 4.79 (#peak 3146 #SUP 0.84 #QF 0.84)
&rst
ixpk= 3146, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 129, 130, 131,
/
#
# 32 LEU QD2 51 MET QE 4.13 (#peak 3152 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3152, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 487, 488, 489,
igr2= 766, 767, 768,
/
#
# 130 ILE HA 130 ILE QG2 3.33 (#peak 3154 #SUP 0.84 #QF 0.84)
&rst
ixpk= 3154, nxpk= 0, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1981,1982,1983,
/
#
# 52 ILE QG2 55 VAL HB 3.99 (#peak 3159 #SUP 0.71 #QF 0.71)
&rst
ixpk= 3159, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 778, 779, 780,
/
#
# 29 THR HA 52 ILE QG2 4.06 (#peak 3162 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3162, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 778, 779, 780,
/
#
# 52 ILE QG2 56 ASP HB3 3.45 (#peak 3163 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3163, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 778, 779, 780,
/
#
# 49 GLN HA 52 ILE QG2 4.13 (#peak 3165 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3165, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 778, 779, 780,
/
#
# 29 THR HB 52 ILE QG2 3.15 (#peak 3166 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3166, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 778, 779, 780,
/
#
# 52 ILE QG2 56 ASP HB2 3.54 (#peak 3168 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3168, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 778, 779, 780,
/
#
# 85 ILE QG2 163 ILE QG2 3.62 (#peak 3170 #SUP 0.90 #QF 0.21)
&rst
ixpk= 3170, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1274,1275,1276,
igr2=2482,2483,2484,
/
#
# 88 ALA QB 163 ILE QG2 2.91 (#peak 3171 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3171, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1330,1331,1332,
igr2=2482,2483,2484,
/
#
# 163 ILE QG2 163 ILE HG13 3.67 (#peak 3173 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3173, nxpk= 0, iat= -1,2487, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2482,2483,2484,
/
#
# 84 GLU HB2 163 ILE QG2 3.99 (#peak 3176 #SUP 1.00)
&rst
ixpk= 3176, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=2482,2483,2484,
/
#
# 163 ILE QG2 164 ILE HA 3.92 (#peak 3179 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3179, nxpk= 0, iat= -1,2497, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=2482,2483,2484,
/
#
# 163 ILE HA 163 ILE QG2 3.04 (#peak 3184 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3184, nxpk= 0, iat=2478, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=2482,2483,2484,
/
#
# 109 MET QE 161 ALA QB 2.76 (#peak 3189 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3189, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1663,1664,1665,
igr2=2451,2452,2453,
/
#
# 157 GLU HG2 161 ALA QB 4.33 (#peak 3190 #SUP 0.77 #QF 0.77)
&rst
ixpk= 3190, nxpk= 0, iat=2397, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2451,2452,2453,
/
#
# 158 GLU HA 161 ALA QB 3.32 (#peak 3193 #SUP 0.88 #QF 0.88)
&rst
ixpk= 3193, nxpk= 0, iat=2407, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=2451,2452,2453,
/
#
# 113 GLY HA3 161 ALA QB 3.54 (#peak 3194 #SUP 0.74 #QF 0.74)
&rst
ixpk= 3194, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=2451,2452,2453,
/
#
# 109 MET HA 161 ALA QB 3.75 (#peak 3195 #SUP 0.97 #QF 0.95)
&rst
ixpk= 3195, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=2451,2452,2453,
/
#
# 161 ALA QB 162 ILE HA 4.31 (#peak 3195 #SUP 0.97 #QF 0.95)
&rst
ixpk= 3195, nxpk= 0, iat= -1,2459, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=2451,2452,2453,
/
#
# 108 VAL HA 161 ALA QB 4.28 (#peak 3196 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3196, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2451,2452,2453,
/
#
# 63 ILE QG2 63 ILE HG13 3.76 (#peak 3199 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3199, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 918, 919, 920,
/
#
# 63 ILE QG2 67 GLU HG2 3.79 (#peak 3202 #SUP 0.76 #QF 0.76)
&rst
ixpk= 3202, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 918, 919, 920,
/
#
# 125 ILE QG2 125 ILE HG12 3.23 (#peak 3205 #SUP 0.87 #QF 0.87)
&rst
ixpk= 3205, nxpk= 0, iat= -1,1905, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1901,1902,1903,
/
#
# 102 ALA QB 125 ILE QG2 2.88 (#peak 3206 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3206, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1545,1546,1547,
igr2=1901,1902,1903,
/
#
# 125 ILE QG2 125 ILE HG13 3.23 (#peak 3207 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3207, nxpk= 0, iat= -1,1906, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1901,1902,1903,
/
#
# 32 LEU HA 71 MET QE 5.89 (#peak 3212 #SUP 0.73 #QF 0.43)
&rst
ixpk= 3212, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2=1056,1057,1058,
/
#
# 70 THR HA 71 MET QE 6.22 (#peak 3212 #SUP 0.73 #QF 0.43)
&rst
ixpk= 3212, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr2=1056,1057,1058,
/
#
# 55 VAL HA 71 MET QE 5.52 (#peak 3213 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3213, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2=1056,1057,1058,
/
#
# 63 ILE HA 71 MET QE 6.04 (#peak 3215 #SUP 1.00)
&rst
ixpk= 3215, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2=1056,1057,1058,
/
#
# 102 ALA QB 134 GLY HA3 3.50 (#peak 3220 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3220, nxpk= 0, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1545,1546,1547,
/
#
# 3 GLN HA 73 ALA QB 4.79 (#peak 3221 #SUP 0.98 #QF 0.29)
&rst
ixpk= 3221, nxpk= 0, iat= 28, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1083,1084,1085,
/
#
# 102 ALA QB 134 GLY HA2 3.62 (#peak 3224 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3224, nxpk= 0, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1545,1546,1547,
/
#
# 12 PHE QE 73 ALA QB 5.12 (#peak 3226 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3226, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 177, 181,
igr2=1083,1084,1085,
/
#
# 2 ASP HA 73 ALA QB 3.97 (#peak 3227 #SUP 0.81 #QF 0.81)
&rst
ixpk= 3227, nxpk= 0, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1083,1084,1085,
/
#
# 69 LEU HA 73 ALA QB 5.06 (#peak 3228 #SUP 0.81 #QF 0.72)
&rst
ixpk= 3228, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1083,1084,1085,
/
#
# 2 ASP HB3 73 ALA QB 4.21 (#peak 3234 #SUP 0.71 #QF 0.71)
&rst
ixpk= 3234, nxpk= 0, iat= 19, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1083,1084,1085,
/
#
# 2 ASP HB2 73 ALA QB 4.21 (#peak 3235 #SUP 0.73 #QF 0.73)
&rst
ixpk= 3235, nxpk= 0, iat= 18, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1083,1084,1085,
/
#
# 88 ALA QB 160 SER HB2 3.98 (#peak 3237 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3237, nxpk= 0, iat= -1,2440, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1330,1331,1332,
/
#
# 145 MET QE 167 ALA QB 2.73 (#peak 3239 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3239, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=2211,2212,2213,
igr2=2559,2560,2561,
/
#
# 88 ALA QB 163 ILE HB 3.04 (#peak 3241 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3241, nxpk= 0, iat= -1,2480, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1=1330,1331,1332,
/
#
# 80 ASP HA 167 ALA QB 5.13 (#peak 3242 #SUP 0.85 #QF 0.85)
&rst
ixpk= 3242, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=2559,2560,2561,
/
#
# 80 ASP HB3 167 ALA QB 4.01 (#peak 3243 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3243, nxpk= 0, iat=1205, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=2559,2560,2561,
/
#
# 80 ASP HB2 167 ALA QB 4.01 (#peak 3244 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3244, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=2559,2560,2561,
/
#
# 146 THR HA 167 ALA QB 4.85 (#peak 3245 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3245, nxpk= 0, iat=2219, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=2559,2560,2561,
/
#
# 167 ALA QB 168 TYR HB3 5.26 (#peak 3248 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3248, nxpk= 0, iat= -1,2570, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=2559,2560,2561,
/
#
# 167 ALA QB 168 TYR HA 3.98 (#peak 3249 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3249, nxpk= 0, iat= -1,2567, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=2559,2560,2561,
/
#
# 100 ILE QD1 164 ILE QG2 5.14 (#peak 3250 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3250, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1524,1525,1526,
igr2=2501,2502,2503,
/
#
# 138 TYR QD 164 ILE QG2 6.16 (#peak 3252 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3252, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1=2087,2096,
igr2=2501,2502,2503,
/
#
# 57 ALA QB 58 ASP HA 4.10 (#peak 3254 #SUP 0.50 #QF 0.50)
&rst
ixpk= 3254, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 852, 853, 854,
/
#
# 56 ASP HA 57 ALA QB 4.49 (#peak 3255 #SUP 1.00)
&rst
ixpk= 3255, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 852, 853, 854,
/
#
# 56 ASP HB3 57 ALA QB 6.24 (#peak 3258 #SUP 0.99 #QF 0.69)
&rst
ixpk= 3258, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr2= 852, 853, 854,
/
#
# 147 ALA QB 171 TYR QE 4.69 (#peak 3261 #SUP 0.82 #QF 0.82)
&rst
ixpk= 3261, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=2235,2236,2237,
igr2=2644,2649,
/
#
# 1 ALA QB 2 ASP HA 4.47 (#peak 3264 #SUP 0.73 #QF 0.73)
&rst
ixpk= 3264, nxpk= 0, iat= -1, 16, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 8, 9, 10,
/
#
# 144 MET HA 147 ALA QB 3.23 (#peak 3267 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3267, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=2235,2236,2237,
/
#
# 146 THR HA 147 ALA QB 4.97 (#peak 3273 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3273, nxpk= 0, iat=2219, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2235,2236,2237,
/
#
# 15 ALA QB 39 LEU HG 3.69 (#peak 3274 #SUP 1.00)
&rst
ixpk= 3274, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 228, 229, 230,
/
#
# 85 ILE QG2 142 VAL HB 4.25 (#peak 3278 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3278, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1274,1275,1276,
/
#
# 19 PHE HB3 27 ILE HB 4.81 (#peak 3287 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3287, nxpk= 0, iat= 289, 394, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, /
#
# 92 PHE HB2 100 ILE HB 5.61 (#peak 3289 #SUP 0.98 #QF 0.58)
&rst
ixpk= 3289, nxpk= 0, iat=1400,1515, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, /
#
# 89 PHE HB3 100 ILE HB 6.02 (#peak 3290 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3290, nxpk= 0, iat=1341,1515, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, /
#
# 100 ILE QG2 138 TYR HB3 4.67 (#peak 3294 #SUP 0.97 #QF 0.96)
&rst
ixpk= 3294, nxpk= 0, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1517,1518,1519,
/
#
# 130 ILE HA 130 ILE QD1 4.58 (#peak 3297 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3297, nxpk= 0, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1988,1989,1990,
/
#
# 105 LEU HG 109 MET HG3 5.07 (#peak 3302 #SUP 1.00)
&rst
ixpk= 3302, nxpk= 0, iat=1583,1660, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, /
#
# 105 LEU HG 109 MET HG2 5.07 (#peak 3303 #SUP 1.00)
&rst
ixpk= 3303, nxpk= 0, iat=1583,1659, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, /
#
# 105 LEU HG 125 ILE QD1 5.22 (#peak 3307 #SUP 0.95 #QF 0.86)
&rst
ixpk= 3307, nxpk= 0, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1908,1909,1910,
/
#
# 37 ARG HA 42 ASN HA 4.34 (#peak 3313 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3313, nxpk= 0, iat= 549, 627, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, /
#
# 42 ASN HA 43 PRO HD3 3.45 (#peak 3316 #SUP 1.00 #QF 0.36)
&rst
ixpk= 3316, nxpk= 0, iat= 627, 641, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, /
#
# 37 ARG HD2 42 ASN HA 4.80 (#peak 3317 #SUP 1.00)
&rst
ixpk= 3317, nxpk= 0, iat= 557, 627, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, /
#
# 41 GLN HG3 42 ASN HA 6.37 (#peak 3320 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3320, nxpk= 0, iat= 616, 627, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, /
#
# 41 GLN HG2 42 ASN HA 6.37 (#peak 3321 #SUP 1.00 #QF 0.76)
&rst
ixpk= 3321, nxpk= 0, iat= 615, 627, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, /
#
# 42 ASN HA 48 LEU QD1 6.50 (#peak 3326 #SUP 1.00 #QF 0.97)
&rst
ixpk= 3326, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 716, 717, 718,
/
#
# 42 ASN HA 48 LEU QD2 6.50 (#peak 3326 #SUP 1.00 #QF 0.97)
&rst
ixpk= 3326, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 720, 721, 722,
/
#
# 36 MET HA 42 ASN HA 6.50 (#peak 3327 #SUP 0.83 #QF 0.83)
&rst
ixpk= 3327, nxpk= 0, iat= 532, 627, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 33 GLY HA2 42 ASN HA 6.50 (#peak 3328 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3328, nxpk= 0, iat= 495, 627, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 43 PRO HA 48 LEU HG 5.27 (#peak 3331 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3331, nxpk= 0, iat= 649, 714, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, /
#
# 70 THR HA 70 THR QG2 3.23 (#peak 3344 #SUP 1.00)
&rst
ixpk= 3344, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1037,1038,1039,
/
#
# 85 ILE QD1 167 ALA HA 4.26 (#peak 3346 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3346, nxpk= 0, iat= -1,2557, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1281,1282,1283,
/
#
# 167 ALA HA 170 ARG HB3 3.34 (#peak 3348 #SUP 0.30 #QF 0.30)
&rst
ixpk= 3348, nxpk= 0, iat=2557,2615, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, /
#
# 10 ALA HA 13 LYS HB3 3.48 (#peak 3349 #SUP 0.81 #QF 0.81)
&rst
ixpk= 3349, nxpk= 0, iat= 144, 192, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, /
#
# 79 THR HA 79 THR HB 2.85 (#peak 3362 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3362, nxpk= 0, iat=1188,1190, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, /
#
# 107 HIS HE1 108 VAL HA 6.12 (#peak 3382 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3382, nxpk= 0, iat=1628,1638, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, /
#
# 4 LEU HA 4 LEU QD1 4.21 (#peak 3464 #SUP 1.00)
&rst
ixpk= 3464, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 52, 53, 54,
/
#
# 39 LEU HA 39 LEU QD2 4.00 (#peak 3465 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3465, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 595, 596, 597,
/
#
# 4 LEU HA 4 LEU HG 3.69 (#peak 3466 #SUP 1.00)
&rst
ixpk= 3466, nxpk= 0, iat= 45, 50, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, /
#
# 109 MET HA 164 ILE QD1 6.06 (#peak 3467 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3467, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2=2508,2509,2510,
/
#
# 109 MET HA 116 LEU QD1 5.55 (#peak 3468 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3468, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2=1769,1770,1771,
/
#
# 109 MET HA 116 LEU QD2 5.55 (#peak 3472 #SUP 0.99 #QF 0.27)
&rst
ixpk= 3472, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2=1773,1774,1775,
/
#
# 109 MET HA 164 ILE QG2 5.60 (#peak 3473 #SUP 1.00)
&rst
ixpk= 3473, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2501,2502,2503,
/
#
# 109 MET HA 110 THR QG2 4.68 (#peak 3475 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3475, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1675,1676,1677,
/
#
# 136 VAL HB 141 PHE QD 6.07 (#peak 3487 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3487, nxpk= 0, iat=2053, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=2138,2146,
/
#
# 102 ALA QB 136 VAL HB 5.53 (#peak 3488 #SUP 1.00 #QF 0.99)
&rst
ixpk= 3488, nxpk= 0, iat= -1,2053, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1=1545,1546,1547,
/
#
# 105 LEU HB3 136 VAL HB 6.09 (#peak 3488 #SUP 1.00 #QF 0.99)
&rst
ixpk= 3488, nxpk= 0, iat=1581,2053, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, /
#
# 100 ILE QG2 136 VAL HB 4.31 (#peak 3489 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3489, nxpk= 0, iat= -1,2053, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1517,1518,1519,
/
#
# 100 ILE HB 136 VAL HB 4.71 (#peak 3492 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3492, nxpk= 0, iat=1515,2053, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, /
#
# 127 GLU HA 141 PHE QD 6.50 (#peak 3495 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3495, nxpk= 0, iat=1940, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=2138,2146,
/
#
# 111 ASN HA 115 LYS HA 6.10 (#peak 3496 #SUP 1.00)
&rst
ixpk= 3496, nxpk= 0, iat=1685,1740, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, /
#
# 110 THR HA 115 LYS HA 3.67 (#peak 3497 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3497, nxpk= 0, iat=1671,1740, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, /
#
# 115 LYS HA 115 LYS HG2 3.91 (#peak 3499 #SUP 0.82 #QF 0.82)
&rst
ixpk= 3499, nxpk= 0, iat=1740,1745, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, /
#
# 110 THR QG2 115 LYS HA 4.26 (#peak 3501 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3501, nxpk= 0, iat= -1,1740, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1675,1676,1677,
/
#
# 55 VAL HA 55 VAL QG1 3.19 (#peak 3517 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3517, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 826, 827, 828,
/
#
# 52 ILE HA 55 VAL QG1 3.87 (#peak 3518 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3518, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 826, 827, 828,
/
#
# 106 ARG HD3 121 VAL QG2 4.89 (#peak 3521 #SUP 0.74 #QF 0.74)
&rst
ixpk= 3521, nxpk= 0, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1845,1846,1847,
/
#
# 121 VAL HA 121 VAL QG2 3.30 (#peak 3522 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3522, nxpk= 0, iat=1837, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1845,1846,1847,
/
#
# 159 VAL HA 159 VAL QG1 3.20 (#peak 3523 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3523, nxpk= 0, iat=2422, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=2426,2427,2428,
/
#
# 55 VAL QG2 67 GLU HG3 4.82 (#peak 3595 #SUP 0.99 #QF 0.97)
&rst
ixpk= 3595, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 830, 831, 832,
/
#
# 63 ILE QD1 67 GLU HG3 6.40 (#peak 3596 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3596, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1= 925, 926, 927,
/
#
# 63 ILE QG2 67 GLU HG3 4.26 (#peak 3598 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3598, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 918, 919, 920,
/
#
# 27 ILE QD1 32 LEU QD2 4.77 (#peak 3599 #SUP 0.61 #QF 0.61)
&rst
ixpk= 3599, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 403, 404, 405,
igr2= 487, 488, 489,
/
#
# 116 LEU HB3 120 GLU HG2 4.94 (#peak 3655 #SUP 0.69 #QF 0.69)
&rst
ixpk= 3655, nxpk= 0, iat=1765,1827, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, /
#
# 116 LEU HB2 116 LEU QD2 3.84 (#peak 3656 #SUP 1.00)
&rst
ixpk= 3656, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1773,1774,1775,
/
#
# 116 LEU HB3 116 LEU QD2 3.84 (#peak 3657 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3657, nxpk= 0, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1773,1774,1775,
/
#
# 116 LEU HB2 116 LEU QD1 3.84 (#peak 3658 #SUP 0.66 #QF 0.66)
&rst
ixpk= 3658, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1769,1770,1771,
/
#
# 109 MET QE 165 GLN HG2 3.79 (#peak 3669 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3669, nxpk= 0, iat= -1,2521, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1663,1664,1665,
/
#
# 39 LEU HA 39 LEU HG 3.71 (#peak 3677 #SUP 0.81 #QF 0.81)
&rst
ixpk= 3677, nxpk= 0, iat= 584, 589, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, /
#
# 52 ILE QG2 56 ASP HA 4.34 (#peak 3678 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3678, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 778, 779, 780,
/
#
# 55 VAL HB 56 ASP HA 5.01 (#peak 3680 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3680, nxpk= 0, iat= 824, 838, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, /
#
# 145 MET QE 168 TYR HA 4.21 (#peak 3686 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3686, nxpk= 0, iat= -1,2567, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=2211,2212,2213,
/
#
# 168 TYR HA 171 TYR HB3 3.62 (#peak 3690 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3690, nxpk= 0, iat=2567,2639, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, /
#
# 110 THR HA 111 ASN HA 4.57 (#peak 3699 #SUP 0.86 #QF 0.86)
&rst
ixpk= 3699, nxpk= 0, iat=1671,1685, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, /
#
# 29 THR QG2 56 ASP HB3 3.85 (#peak 3900 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3900, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 429, 430, 431,
/
#
# 29 THR QG2 61 GLY HA2 3.76 (#peak 3903 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3903, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 429, 430, 431,
/
#
# 12 PHE HA 39 LEU QD2 3.61 (#peak 3907 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3907, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 595, 596, 597,
/
#
# 116 LEU QD1 168 TYR HB3 4.49 (#peak 3913 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3913, nxpk= 0, iat= -1,2570, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1769,1770,1771,
/
#
# 116 LEU QD1 168 TYR HB2 5.03 (#peak 3914 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3914, nxpk= 0, iat= -1,2569, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1769,1770,1771,
/
#
# 116 LEU QD1 120 GLU HB3 4.55 (#peak 3915 #SUP 0.88 #QF 0.88)
&rst
ixpk= 3915, nxpk= 0, iat= -1,1825, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1769,1770,1771,
/
#
# 116 LEU QD1 120 GLU HG2 3.92 (#peak 3916 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3916, nxpk= 0, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1769,1770,1771,
/
#
# 116 LEU HB3 116 LEU QD1 3.84 (#peak 3920 #SUP 0.78 #QF 0.78)
&rst
ixpk= 3920, nxpk= 0, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1769,1770,1771,
/
#
# 52 ILE HA 55 VAL QG2 3.87 (#peak 3925 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3925, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 830, 831, 832,
/
#
# 55 VAL HA 55 VAL QG2 3.19 (#peak 3926 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3926, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 830, 831, 832,
/
#
# 156 GLN HA 159 VAL QG1 3.69 (#peak 3928 #SUP 0.71 #QF 0.37)
&rst
ixpk= 3928, nxpk= 0, iat=2375, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=2426,2427,2428,
/
#
# 108 VAL QG2 109 MET HA 5.07 (#peak 3933 #SUP 1.00)
&rst
ixpk= 3933, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1646,1647,1648,
/
#
# 105 LEU HA 108 VAL QG2 4.63 (#peak 3934 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3934, nxpk= 0, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1646,1647,1648,
/
#
# 108 VAL HA 108 VAL QG2 3.32 (#peak 3937 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3937, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1646,1647,1648,
/
#
# 92 PHE HB2 108 VAL QG2 5.10 (#peak 3939 #SUP 1.00)
&rst
ixpk= 3939, nxpk= 0, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1646,1647,1648,
/
#
# 108 VAL QG2 164 ILE QD1 4.92 (#peak 3941 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3941, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=1646,1647,1648,
igr2=2508,2509,2510,
/
#
# 108 VAL QG2 109 MET HG2 6.06 (#peak 3943 #SUP 1.00)
&rst
ixpk= 3943, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1646,1647,1648,
/
#
# 108 VAL QG2 109 MET QE 3.74 (#peak 3945 #SUP 1.00)
&rst
ixpk= 3945, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1646,1647,1648,
igr2=1663,1664,1665,
/
#
# 55 VAL QG2 67 GLU HG2 4.00 (#peak 3951 #SUP 0.98 #QF 0.95)
&rst
ixpk= 3951, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 830, 831, 832,
/
#
# 136 VAL HA 136 VAL QG2 3.23 (#peak 3956 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3956, nxpk= 0, iat=2051, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=2059,2060,2061,
/
#
# 160 SER HA 163 ILE QG2 4.47 (#peak 3959 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3959, nxpk= 0, iat=2438, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2482,2483,2484,
/
#
# 101 SER HB2 103 ALA QB 4.53 (#peak 3960 #SUP 0.84 #QF 0.84)
&rst
ixpk= 3960, nxpk= 0, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1555,1556,1557,
/
#
# 101 SER HB3 103 ALA QB 4.53 (#peak 3961 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3961, nxpk= 0, iat=1535, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1555,1556,1557,
/
#
# 85 ILE QD1 146 THR HA 4.33 (#peak 3964 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3964, nxpk= 0, iat= -1,2219, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1281,1282,1283,
/
#
# 100 ILE QG2 105 LEU QD2 3.56 (#peak 3975 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3975, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1517,1518,1519,
igr2=1589,1590,1591,
/
#
# 105 LEU HB2 105 LEU QD2 3.31 (#peak 3977 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3977, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1589,1590,1591,
/
#
# 105 LEU QD2 124 MET QE 4.10 (#peak 3979 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3979, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1589,1590,1591,
igr2=1889,1890,1891,
/
#
# 105 LEU QD2 109 MET HG3 4.85 (#peak 3982 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3982, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1589,1590,1591,
/
#
# 120 GLU HG3 172 LEU QD1 4.42 (#peak 3985 #SUP 0.88 #QF 0.84)
&rst
ixpk= 3985, nxpk= 0, iat=1828, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=2664,2665,2666,
/
#
# 105 LEU HA 105 LEU QD2 3.91 (#peak 3986 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3986, nxpk= 0, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1589,1590,1591,
/
#
# 88 ALA HA 91 VAL QG2 4.09 (#peak 3989 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3989, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1390,1391,1392,
/
#
# 15 ALA HA 18 LEU QD1 4.44 (#peak 3991 #SUP 0.82 #QF 0.82)
&rst
ixpk= 3991, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 274, 275, 276,
/
#
# 18 LEU HA 18 LEU QD1 3.81 (#peak 3992 #SUP 0.76 #QF 0.76)
&rst
ixpk= 3992, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 274, 275, 276,
/
#
# 91 VAL HA 91 VAL QG2 3.26 (#peak 3993 #SUP 0.62 #QF 0.62)
&rst
ixpk= 3993, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1390,1391,1392,
/
#
# 91 VAL QG2 156 GLN HG2 5.03 (#peak 3996 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3996, nxpk= 0, iat= -1,2380, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1390,1391,1392,
/
#
# 29 THR QG2 61 GLY HA3 3.76 (#peak 4001 #SUP 0.91 #QF 0.91)
&rst
ixpk= 4001, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 429, 430, 431,
/
#
# 9 ILE HA 69 LEU QD2 4.33 (#peak 4002 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4002, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1025,1026,1027,
/
#
# 69 LEU HA 69 LEU QD2 3.92 (#peak 4003 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4003, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1025,1026,1027,
/
#
# 13 LYS HA 13 LYS HG2 3.81 (#peak 4004 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4004, nxpk= 0, iat= 189, 194, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, /
#
# 174 LYS HA 174 LYS HG2 3.35 (#peak 4007 #SUP 0.80 #QF 0.80)
&rst
ixpk= 4007, nxpk= 0, iat=2695,2700, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, /
#
# 86 ARG HA 142 VAL QG2 3.65 (#peak 4009 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4009, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=2160,2161,2162,
/
#
# 115 LYS HA 115 LYS HG3 3.91 (#peak 4010 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4010, nxpk= 0, iat=1740,1746, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, /
#
# 121 VAL HA 121 VAL QG1 3.30 (#peak 4011 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4011, nxpk= 0, iat=1837, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1841,1842,1843,
/
#
# 18 LEU HA 18 LEU QD2 3.81 (#peak 4013 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4013, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 278, 279, 280,
/
#
# 69 LEU HA 69 LEU QD1 3.92 (#peak 4021 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4021, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1021,1022,1023,
/
#
# 66 PRO HA 69 LEU QD1 4.38 (#peak 4022 #SUP 0.87 #QF 0.87)
&rst
ixpk= 4022, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1021,1022,1023,
/
#
# 33 GLY HA3 48 LEU QD2 3.76 (#peak 4023 #SUP 0.95 #QF 0.31)
&rst
ixpk= 4023, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 720, 721, 722,
/
#
# 33 GLY HA2 48 LEU QD2 3.42 (#peak 4025 #SUP 0.94 #QF 0.94)
&rst
ixpk= 4025, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 720, 721, 722,
/
#
# 68 PHE QE 72 MET QE 3.91 (#peak 4028 #SUP 0.96 #QF 0.96)
&rst
ixpk= 4028, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1002,1006,
igr2=1073,1074,1075,
/
#
# 111 ASN HB3 112 LEU QD2 3.96 (#peak 4043 #SUP 1.00)
&rst
ixpk= 4043, nxpk= 0, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1710,1711,1712,
/
#
# 66 PRO HA 69 LEU HG 3.96 (#peak 4046 #SUP 0.33 #QF 0.33)
&rst
ixpk= 4046, nxpk= 0, iat= 973,1019, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, /
#
# 12 PHE HB2 69 LEU HG 4.84 (#peak 4048 #SUP 1.00 #QF 0.42)
&rst
ixpk= 4048, nxpk= 0, iat= 171,1019, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, /
#
# 68 PHE HB3 69 LEU HG 5.50 (#peak 4050 #SUP 0.79 #QF 0.33)
&rst
ixpk= 4050, nxpk= 0, iat= 997,1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 52 ILE HB 53 ASN HA 4.75 (#peak 4057 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4057, nxpk= 0, iat= 776, 793, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, /
#
# 6 GLU HA 9 ILE HB 3.39 (#peak 4058 #SUP 0.75 #QF 0.75)
&rst
ixpk= 4058, nxpk= 0, iat= 78, 127, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, /
#
# 49 GLN HA 52 ILE HB 3.41 (#peak 4059 #SUP 0.87 #QF 0.87)
&rst
ixpk= 4059, nxpk= 0, iat= 728, 776, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, /
#
# 160 SER HA 163 ILE HB 3.63 (#peak 4060 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4060, nxpk= 0, iat=2438,2480, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, /
#
# 52 ILE HB 56 ASP HB3 4.80 (#peak 4065 #SUP 0.94 #QF 0.94)
&rst
ixpk= 4065, nxpk= 0, iat= 776, 841, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, /
#
# 162 ILE HB 165 GLN HB2 5.27 (#peak 4067 #SUP 0.97 #QF 0.97)
&rst
ixpk= 4067, nxpk= 0, iat=2461,2518, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, /
#
# 85 ILE HB 142 VAL HA 4.98 (#peak 4068 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4068, nxpk= 0, iat=1272,2152, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, /
#
# 161 ALA QB 162 ILE HB 5.05 (#peak 4071 #SUP 1.00)
&rst
ixpk= 4071, nxpk= 0, iat= -1,2461, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=2451,2452,2453,
/
#
# 65 PHE HB3 66 PRO HB3 5.71 (#peak 4077 #SUP 1.00 #QF 0.98)
&rst
ixpk= 4077, nxpk= 0, iat= 948, 971, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, /
#
# 119 GLU HA 122 ASP HB2 3.58 (#peak 4086 #SUP 0.80 #QF 0.80)
&rst
ixpk= 4086, nxpk= 0, iat=1807,1855, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, /
#
# 169 ARG HA 172 LEU HB3 4.47 (#peak 4094 #SUP 1.00)
&rst
ixpk= 4094, nxpk= 0, iat=2588,2660, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, /
#
# 68 PHE QD 71 MET HB2 5.98 (#peak 4104 #SUP 1.00)
&rst
ixpk= 4104, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=1000,1008,
/
#
# 68 PHE QD 71 MET HB3 5.58 (#peak 4105 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4105, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1000,1008,
/
#
# 36 MET HG3 43 PRO HD2 5.42 (#peak 4107 #SUP 0.97 #QF 0.97)
&rst
ixpk= 4107, nxpk= 0, iat= 538, 640, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, /
#
# 36 MET HG2 43 PRO HD2 6.30 (#peak 4108 #SUP 0.85 #QF 0.85)
&rst
ixpk= 4108, nxpk= 0, iat= 537, 640, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, /
#
# 16 PHE HB2 27 ILE QG2 5.90 (#peak 4117 #SUP 0.96 #QF 0.96)
&rst
ixpk= 4117, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 396, 397, 398,
/
#
# 16 PHE HB3 35 VAL QG1 5.96 (#peak 4119 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4119, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 520, 521, 522,
/
#
# 16 PHE HB3 17 SER HA 5.43 (#peak 4121 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4121, nxpk= 0, iat= 239, 256, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, /
#
# 52 ILE HA 55 VAL HB 4.81 (#peak 4127 #SUP 0.96 #QF 0.96)
&rst
ixpk= 4127, nxpk= 0, iat= 774, 824, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, /
#
# 105 LEU HA 105 LEU HG 3.59 (#peak 4138 #SUP 1.00)
&rst
ixpk= 4138, nxpk= 0, iat=1578,1583, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, /
#
# 105 LEU HA 108 VAL HB 4.36 (#peak 4141 #SUP 1.00)
&rst
ixpk= 4141, nxpk= 0, iat=1578,1640, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, /
#
# 81 SER HA 84 GLU HB2 4.88 (#peak 4143 #SUP 0.93 #QF 0.93)
&rst
ixpk= 4143, nxpk= 0, iat=1214,1257, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, /
#
# 81 SER HA 146 THR QG2 5.15 (#peak 4145 #SUP 0.81 #QF 0.81)
&rst
ixpk= 4145, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=2223,2224,2225,
/
#
# 81 SER HA 85 ILE QD1 5.40 (#peak 4146 #SUP 0.93 #QF 0.93)
&rst
ixpk= 4146, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1281,1282,1283,
/
#
# 105 LEU QD1 109 MET HG2 4.85 (#peak 4156 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4156, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1585,1586,1587,
/
#
# 105 LEU QD1 109 MET HG3 4.85 (#peak 4157 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4157, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1585,1586,1587,
/
#
# 105 LEU QD1 124 MET QE 4.10 (#peak 4158 #SUP 0.94 #QF 0.62)
&rst
ixpk= 4158, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1585,1586,1587,
igr2=1889,1890,1891,
/
#
# 120 GLU HG3 172 LEU QD2 4.42 (#peak 4160 #SUP 0.87 #QF 0.87)
&rst
ixpk= 4160, nxpk= 0, iat=1828, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=2668,2669,2670,
/
#
# 43 PRO HB2 48 LEU QD2 5.17 (#peak 4161 #SUP 0.90 #QF 0.53)
&rst
ixpk= 4161, nxpk= 0, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 720, 721, 722,
/
#
# 48 LEU HA 48 LEU QD2 3.95 (#peak 4162 #SUP 0.94 #QF 0.94)
&rst
ixpk= 4162, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 720, 721, 722,
/
#
# 172 LEU HA 172 LEU QD2 3.92 (#peak 4165 #SUP 1.00)
&rst
ixpk= 4165, nxpk= 0, iat=2657, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2668,2669,2670,
/
#
# 43 PRO HA 48 LEU QD2 5.15 (#peak 4166 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4166, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 720, 721, 722,
/
#
# 69 LEU HA 72 MET HB3 4.19 (#peak 4167 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4167, nxpk= 0, iat=1014,1067, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, /
#
# 88 ALA HA 91 VAL HB 4.96 (#peak 4169 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4169, nxpk= 0, iat=1328,1384, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, /
#
# 72 MET HA 75 LYS HB2 4.12 (#peak 4170 #SUP 0.87 #QF 0.87)
&rst
ixpk= 4170, nxpk= 0, iat=1064,1117, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, /
#
# 55 VAL HB 63 ILE QD1 4.40 (#peak 4171 #SUP 0.46 #QF 0.30)
&rst
ixpk= 4171, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 925, 926, 927,
/
#
# 100 ILE HA 136 VAL HB 6.40 (#peak 4175 #SUP 0.87 #QF 0.46)
&rst
ixpk= 4175, nxpk= 0, iat=1513,2053, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, /
#
# 135 GLN HA 136 VAL HB 6.50 (#peak 4175 #SUP 0.87 #QF 0.46)
&rst
ixpk= 4175, nxpk= 0, iat=2034,2053, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 28 THR HB 29 THR QG2 4.71 (#peak 4176 #SUP 0.96 #QF 0.96)
&rst
ixpk= 4176, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 429, 430, 431,
/
#
# 28 THR HB 62 THR QG2 4.13 (#peak 4177 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4177, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 904, 905, 906,
/
#
# 27 ILE HB 28 THR HB 6.50 (#peak 4180 #SUP 1.00 #QF 0.99)
&rst
ixpk= 4180, nxpk= 0, iat= 394, 413, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 110 THR HB 121 VAL QG2 4.69 (#peak 4187 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4187, nxpk= 0, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1845,1846,1847,
/
#
# 109 MET HB2 110 THR HB 6.32 (#peak 4189 #SUP 0.99 #QF 0.97)
&rst
ixpk= 4189, nxpk= 0, iat=1656,1673, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, /
#
# 110 THR HB 111 ASN HB2 6.50 (#peak 4189 #SUP 0.99 #QF 0.97)
&rst
ixpk= 4189, nxpk= 0, iat=1673,1687, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 110 THR HB 115 LYS HA 4.58 (#peak 4190 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4190, nxpk= 0, iat=1673,1740, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, /
#
# 110 THR HA 110 THR HB 2.86 (#peak 4191 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4191, nxpk= 0, iat=1671,1673, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, /
#
# 110 THR HB 111 ASN HA 4.98 (#peak 4192 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4192, nxpk= 0, iat=1673,1685, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, /
#
# 85 ILE QD1 146 THR HB 4.54 (#peak 4195 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4195, nxpk= 0, iat= -1,2221, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1281,1282,1283,
/
#
# 146 THR HB 147 ALA QB 5.43 (#peak 4198 #SUP 0.79 #QF 0.79)
&rst
ixpk= 4198, nxpk= 0, iat=2221, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=2235,2236,2237,
/
#
# 82 GLU HA 146 THR HB 4.63 (#peak 4203 #SUP 0.95 #QF 0.93)
&rst
ixpk= 4203, nxpk= 0, iat=1225,2221, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, /
#
# 143 GLN HA 146 THR HB 5.21 (#peak 4203 #SUP 0.95 #QF 0.93)
&rst
ixpk= 4203, nxpk= 0, iat=2168,2221, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, /
#
# 106 ARG HG2 121 VAL QG2 5.14 (#peak 4205 #SUP 0.62 #QF 0.62)
&rst
ixpk= 4205, nxpk= 0, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1845,1846,1847,
/
#
# 106 ARG HD2 121 VAL QG2 4.89 (#peak 4209 #SUP 0.86 #QF 0.86)
&rst
ixpk= 4209, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1845,1846,1847,
/
#
# 174 LYS HA 174 LYS HG3 3.35 (#peak 4213 #SUP 0.79 #QF 0.79)
&rst
ixpk= 4213, nxpk= 0, iat=2695,2701, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, /
#
# 31 GLU HA 34 THR QG2 4.13 (#peak 4215 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4215, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 506, 507, 508,
/
#
# 29 THR HA 29 THR QG2 3.95 (#peak 4216 #SUP 1.00)
&rst
ixpk= 4216, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 429, 430, 431,
/
#
# 82 GLU HA 146 THR QG2 2.89 (#peak 4217 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4217, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=2223,2224,2225,
/
#
# 142 VAL HA 146 THR QG2 4.11 (#peak 4218 #SUP 0.69 #QF 0.69)
&rst
ixpk= 4218, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=2223,2224,2225,
/
#
# 85 ILE QD1 146 THR QG2 2.76 (#peak 4219 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4219, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1281,1282,1283,
igr2=2223,2224,2225,
/
#
# 26 THR QG2 64 ASP HB2 4.15 (#peak 4220 #SUP 1.00)
&rst
ixpk= 4220, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 382, 383, 384,
/
#
# 26 THR QG2 64 ASP HB3 3.24 (#peak 4221 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4221, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 382, 383, 384,
/
#
# 55 VAL QG1 67 GLU HG3 4.82 (#peak 4225 #SUP 0.61 #QF 0.61)
&rst
ixpk= 4225, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 826, 827, 828,
/
#
# 86 ARG HA 142 VAL QG1 3.65 (#peak 4227 #SUP 0.70 #QF 0.70)
&rst
ixpk= 4227, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=2156,2157,2158,
/
#
# 67 GLU HG3 70 THR QG2 3.65 (#peak 4228 #SUP 0.86 #QF 0.86)
&rst
ixpk= 4228, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1037,1038,1039,
/
#
# 67 GLU HA 70 THR HB 3.40 (#peak 4232 #SUP 0.81 #QF 0.81)
&rst
ixpk= 4232, nxpk= 0, iat= 979,1035, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, /
#
# 70 THR HB 71 MET QE 4.85 (#peak 4235 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4235, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1056,1057,1058,
/
#
# 67 GLU HG3 70 THR HB 4.82 (#peak 4236 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4236, nxpk= 0, iat= 985,1035, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, /
#
# 108 VAL HA 111 ASN HB3 4.06 (#peak 4240 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4240, nxpk= 0, iat=1638,1688, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, /
#
# 108 VAL HA 111 ASN HB2 3.89 (#peak 4241 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4241, nxpk= 0, iat=1638,1687, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, /
#
# 108 VAL HA 112 LEU HG 3.34 (#peak 4243 #SUP 0.67 #QF 0.67)
&rst
ixpk= 4243, nxpk= 0, iat=1638,1704, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, /
#
# 8 GLN HB3 9 ILE HA 5.12 (#peak 4245 #SUP 0.95 #QF 0.87)
&rst
ixpk= 4245, nxpk= 0, iat= 111, 125, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, /
#
# 9 ILE HA 9 ILE HG12 3.88 (#peak 4248 #SUP 0.94 #QF 0.26)
&rst
ixpk= 4248, nxpk= 0, iat= 125, 133, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, /
#
# 9 ILE HA 9 ILE QD1 3.80 (#peak 4249 #SUP 1.00)
&rst
ixpk= 4249, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 136, 137, 138,
/
#
# 90 ARG HA 91 VAL HA 4.90 (#peak 4255 #SUP 0.37 #QF 0.37)
&rst
ixpk= 4255, nxpk= 0, iat=1358,1382, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, /
#
# 52 ILE HA 56 ASP HB2 5.08 (#peak 4256 #SUP 1.00)
&rst
ixpk= 4256, nxpk= 0, iat= 774, 840, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, /
#
# 52 ILE HA 52 ILE HG13 4.02 (#peak 4258 #SUP 0.98 #QF 0.38)
&rst
ixpk= 4258, nxpk= 0, iat= 774, 783, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, /
#
# 70 THR HA 73 ALA QB 3.32 (#peak 4259 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4259, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1083,1084,1085,
/
#
# 69 LEU HA 70 THR HA 5.00 (#peak 4260 #SUP 0.88 #QF 0.88)
&rst
ixpk= 4260, nxpk= 0, iat=1014,1033, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 121 VAL HA 121 VAL HB 2.97 (#peak 4262 #SUP 0.97 #QF 0.97)
&rst
ixpk= 4262, nxpk= 0, iat=1837,1839, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, /
#
# 121 VAL HA 124 MET HB2 4.49 (#peak 4263 #SUP 0.53 #QF 0.53)
&rst
ixpk= 4263, nxpk= 0, iat=1837,1882, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, /
#
# 28 THR HB 29 THR HA 5.27 (#peak 4265 #SUP 0.92 #QF 0.92)
&rst
ixpk= 4265, nxpk= 0, iat= 413, 425, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, /
#
# 52 ILE HA 55 VAL HA 5.58 (#peak 4267 #SUP 0.71 #QF 0.55)
&rst
ixpk= 4267, nxpk= 0, iat= 774, 822, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, /
#
# 162 ILE HA 163 ILE HA 5.90 (#peak 4267 #SUP 0.71 #QF 0.55)
&rst
ixpk= 4267, nxpk= 0, iat=2459,2478, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, /
#
# 52 ILE HA 53 ASN HA 5.11 (#peak 4268 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4268, nxpk= 0, iat= 774, 793, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, /
#
# 29 THR HA 32 LEU HB2 3.71 (#peak 4269 #SUP 0.54 #QF 0.54)
&rst
ixpk= 4269, nxpk= 0, iat= 425, 478, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, /
#
# 29 THR HA 63 ILE HG13 4.18 (#peak 4270 #SUP 0.89 #QF 0.89)
&rst
ixpk= 4270, nxpk= 0, iat= 425, 923, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, /
#
# 84 GLU HB3 85 ILE HA 4.35 (#peak 4271 #SUP 0.91 #QF 0.91)
&rst
ixpk= 4271, nxpk= 0, iat=1258,1270, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, /
#
# 85 ILE HA 164 ILE QG2 5.55 (#peak 4272 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4272, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2=2501,2502,2503,
/
#
# 162 ILE HA 165 GLN HB2 3.72 (#peak 4276 #SUP 1.00)
&rst
ixpk= 4276, nxpk= 0, iat=2459,2518, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, /
#
# 113 GLY HA2 162 ILE HA 4.07 (#peak 4278 #SUP 0.97 #QF 0.97)
&rst
ixpk= 4278, nxpk= 0, iat=1718,2459, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, /
#
# 161 ALA HA 162 ILE HA 5.09 (#peak 4280 #SUP 0.85 #QF 0.85)
&rst
ixpk= 4280, nxpk= 0, iat=2449,2459, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, /
#
# 162 ILE HA 165 GLN HG2 4.31 (#peak 4281 #SUP 1.00)
&rst
ixpk= 4281, nxpk= 0, iat=2459,2521, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, /
#
# 109 MET QE 162 ILE HA 4.39 (#peak 4283 #SUP 0.89 #QF 0.89)
&rst
ixpk= 4283, nxpk= 0, iat= -1,2459, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1663,1664,1665,
/
#
# 162 ILE HA 165 GLN HG3 4.31 (#peak 4285 #SUP 0.81 #QF 0.81)
&rst
ixpk= 4285, nxpk= 0, iat=2459,2522, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, /
#
# 162 ILE HA 162 ILE HG13 4.13 (#peak 4287 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4287, nxpk= 0, iat=2459,2468, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, /
#
# 162 ILE HA 162 ILE QD1 3.66 (#peak 4290 #SUP 1.00)
&rst
ixpk= 4290, nxpk= 0, iat=2459, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=2470,2471,2472,
/
#
# 52 ILE HA 52 ILE QG2 2.93 (#peak 4294 #SUP 0.97 #QF 0.97)
&rst
ixpk= 4294, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 778, 779, 780,
/
#
# 27 ILE QD1 29 THR HA 5.40 (#peak 4296 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4296, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 403, 404, 405,
/
#
# 121 VAL HA 125 ILE QD1 5.42 (#peak 4297 #SUP 0.92 #QF 0.92)
&rst
ixpk= 4297, nxpk= 0, iat=1837, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1908,1909,1910,
/
#
# 29 THR HA 63 ILE QD1 3.28 (#peak 4298 #SUP 0.93 #QF 0.88)
&rst
ixpk= 4298, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 925, 926, 927,
/
#
# 81 SER HB2 84 GLU HB3 4.60 (#peak 4307 #SUP 0.93 #QF 0.93)
&rst
ixpk= 4307, nxpk= 0, iat=1216,1258, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, /
#
# 81 SER HB3 84 GLU HB3 4.60 (#peak 4311 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4311, nxpk= 0, iat=1217,1258, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, /
#
# 85 ILE HA 85 ILE HG13 4.07 (#peak 4313 #SUP 0.89 #QF 0.67)
&rst
ixpk= 4313, nxpk= 0, iat=1270,1279, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, /
#
# 84 GLU HB2 85 ILE HA 5.53 (#peak 4314 #SUP 1.00)
&rst
ixpk= 4314, nxpk= 0, iat=1257,1270, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, /
#
# 35 VAL QG2 38 SER HB2 6.50 (#peak 4320 #SUP 0.69 #QF 0.49)
&rst
ixpk= 4320, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 524, 525, 526,
/
#
# 35 VAL QG2 38 SER HB3 6.50 (#peak 4320 #SUP 0.69 #QF 0.49)
&rst
ixpk= 4320, nxpk= 0, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 524, 525, 526,
/
#
# 55 VAL HA 56 ASP HA 4.77 (#peak 4321 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4321, nxpk= 0, iat= 822, 838, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, /
#
# 55 VAL HA 67 GLU HG2 4.70 (#peak 4323 #SUP 0.73 #QF 0.73)
&rst
ixpk= 4323, nxpk= 0, iat= 822, 984, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, /
#
# 55 VAL HA 67 GLU HG3 5.01 (#peak 4324 #SUP 0.96 #QF 0.96)
&rst
ixpk= 4324, nxpk= 0, iat= 822, 985, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, /
#
# 79 THR HA 79 THR QG2 2.80 (#peak 4325 #SUP 0.75 #QF 0.75)
&rst
ixpk= 4325, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1192,1193,1194,
/
#
# 51 MET HA 51 MET HG2 3.63 (#peak 4331 #SUP 0.81 #QF 0.81)
&rst
ixpk= 4331, nxpk= 0, iat= 757, 762, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, /
#
# 7 GLU HA 10 ALA QB 3.40 (#peak 4334 #SUP 0.85 #QF 0.85)
&rst
ixpk= 4334, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 146, 147, 148,
/
#
# 84 GLU HA 163 ILE QG2 4.11 (#peak 4338 #SUP 0.92 #QF 0.92)
&rst
ixpk= 4338, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=2482,2483,2484,
/
#
# 67 GLU HA 70 THR QG2 3.58 (#peak 4339 #SUP 0.85 #QF 0.85)
&rst
ixpk= 4339, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1037,1038,1039,
/
#
# 142 VAL QG2 143 GLN HA 4.79 (#peak 4341 #SUP 0.62 #QF 0.32)
&rst
ixpk= 4341, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=2160,2161,2162,
/
#
# 143 GLN HA 146 THR QG2 5.01 (#peak 4341 #SUP 0.62 #QF 0.32)
&rst
ixpk= 4341, nxpk= 0, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=2223,2224,2225,
/
#
# 142 VAL QG1 143 GLN HA 4.79 (#peak 4342 #SUP 0.72 #QF 0.72)
&rst
ixpk= 4342, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=2156,2157,2158,
/
#
# 21 LYS HA 22 ASP HA 4.84 (#peak 4343 #SUP 0.78 #QF 0.78)
&rst
ixpk= 4343, nxpk= 0, iat= 318, 340, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, /
#
# 93 ASP HA 94 LYS HA 5.18 (#peak 4344 #SUP 0.71 #QF 0.56)
&rst
ixpk= 4344, nxpk= 0, iat=1418,1430, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, /
#
# 49 GLN HA 52 ILE HA 5.81 (#peak 4345 #SUP 0.97 #QF 0.97)
&rst
ixpk= 4345, nxpk= 0, iat= 728, 774, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, /
#
# 145 MET HA 171 TYR HB3 4.36 (#peak 4346 #SUP 0.96 #QF 0.96)
&rst
ixpk= 4346, nxpk= 0, iat=2202,2639, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, /
#
# 49 GLN HA 52 ILE QD1 3.09 (#peak 4347 #SUP 0.96 #QF 0.96)
&rst
ixpk= 4347, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 785, 786, 787,
/
#
# 48 LEU HA 48 LEU QD1 3.95 (#peak 4348 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4348, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 716, 717, 718,
/
#
# 117 THR QG2 118 ASP HA 4.70 (#peak 4351 #SUP 0.68 #QF 0.68)
&rst
ixpk= 4351, nxpk= 0, iat= -1,1795, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1785,1786,1787,
/
#
# 81 SER HA 82 GLU HA 4.58 (#peak 4359 #SUP 0.58 #QF 0.58)
&rst
ixpk= 4359, nxpk= 0, iat=1214,1225, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, /
#
# 32 LEU HA 32 LEU QD1 4.02 (#peak 4362 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4362, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 483, 484, 485,
/
#
# 172 LEU HB2 173 LEU HA 5.00 (#peak 4364 #SUP 0.27 #QF 0.27)
&rst
ixpk= 4364, nxpk= 0, iat=2659,2676, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 127 GLU HA 127 GLU HG2 4.01 (#peak 4370 #SUP 0.96 #QF 0.96)
&rst
ixpk= 4370, nxpk= 0, iat=1940,1945, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, /
#
# 80 ASP HB2 167 ALA HA 5.56 (#peak 4377 #SUP 0.89 #QF 0.55)
&rst
ixpk= 4377, nxpk= 0, iat=1204,2557, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, /
#
# 4 LEU HA 8 GLN HB2 3.81 (#peak 4382 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4382, nxpk= 0, iat= 45, 110, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, /
#
# 116 LEU HA 120 GLU HG2 4.59 (#peak 4383 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4383, nxpk= 0, iat=1762,1827, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, /
#
# 112 LEU HA 113 GLY HA2 4.56 (#peak 4384 #SUP 0.23 #QF 0.23)
&rst
ixpk= 4384, nxpk= 0, iat=1699,1718, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, /
#
# 29 THR QG2 56 ASP HA 4.98 (#peak 4390 #SUP 1.00)
&rst
ixpk= 4390, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 429, 430, 431,
/
#
# 56 ASP HA 63 ILE QG2 6.50 (#peak 4391 #SUP 0.93 #QF 0.39)
&rst
ixpk= 4391, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 918, 919, 920,
/
#
# 56 ASP HA 63 ILE HG12 6.50 (#peak 4391 #SUP 0.93 #QF 0.39)
&rst
ixpk= 4391, nxpk= 0, iat= 838, 922, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 108 VAL HA 112 LEU HB2 5.63 (#peak 4395 #SUP 1.00)
&rst
ixpk= 4395, nxpk= 0, iat=1638,1701, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, /
#
# 108 VAL HA 112 LEU HB3 6.02 (#peak 4396 #SUP 1.00)
&rst
ixpk= 4396, nxpk= 0, iat=1638,1702, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, /
#
# 112 LEU HB3 159 VAL HA 6.50 (#peak 4405 #SUP 0.61 #QF 0.61)
&rst
ixpk= 4405, nxpk= 0, iat=1702,2422, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 112 LEU HB2 159 VAL HA 6.33 (#peak 4406 #SUP 0.96 #QF 0.81)
&rst
ixpk= 4406, nxpk= 0, iat=1701,2422, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, /
#
# 112 LEU HB2 161 ALA HA 6.50 (#peak 4406 #SUP 0.96 #QF 0.81)
&rst
ixpk= 4406, nxpk= 0, iat=1701,2449, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 170 ARG HA 170 ARG HD3 3.74 (#peak 4410 #SUP 0.60 #QF 0.60)
&rst
ixpk= 4410, nxpk= 0, iat=2612,2621, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, /
#
# 15 ALA HA 18 LEU HB3 3.89 (#peak 4415 #SUP 0.92 #QF 0.92)
&rst
ixpk= 4415, nxpk= 0, iat= 226, 270, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, /
#
# 15 ALA HA 18 LEU HB2 4.14 (#peak 4416 #SUP 0.93 #QF 0.93)
&rst
ixpk= 4416, nxpk= 0, iat= 226, 269, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, /
#
# 52 ILE QD1 56 ASP HB3 5.08 (#peak 4426 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4426, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 785, 786, 787,
/
#
# 52 ILE QD1 56 ASP HB2 5.57 (#peak 4427 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4427, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 785, 786, 787,
/
#
# 56 ASP HB2 63 ILE HG12 4.68 (#peak 4428 #SUP 0.58 #QF 0.58)
&rst
ixpk= 4428, nxpk= 0, iat= 840, 922, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, /
#
# 56 ASP HB3 63 ILE HG12 6.37 (#peak 4429 #SUP 0.97 #QF 0.23)
&rst
ixpk= 4429, nxpk= 0, iat= 841, 922, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, /
#
# 29 THR QG2 56 ASP HB2 3.85 (#peak 4430 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4430, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 429, 430, 431,
/
#
# 52 ILE HA 56 ASP HB3 4.68 (#peak 4432 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4432, nxpk= 0, iat= 774, 841, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, /
#
# 9 ILE HA 69 LEU QD1 4.33 (#peak 4440 #SUP 0.92 #QF 0.92)
&rst
ixpk= 4440, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1021,1022,1023,
/
#
# 169 ARG HA 172 LEU HG 5.13 (#peak 4441 #SUP 1.00)
&rst
ixpk= 4441, nxpk= 0, iat=2588,2662, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, /
#
# 4 LEU QD2 73 ALA HA 4.23 (#peak 4445 #SUP 1.00)
&rst
ixpk= 4445, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 56, 57, 58,
/
#
# 89 PHE HB3 100 ILE HG13 5.68 (#peak 4463 #SUP 1.00)
&rst
ixpk= 4463, nxpk= 0, iat=1341,1522, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, /
#
# 32 LEU HG 36 MET HG3 4.42 (#peak 4472 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4472, nxpk= 0, iat= 481, 538, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, /
#
# 29 THR QG2 63 ILE HG13 4.05 (#peak 4475 #SUP 0.80 #QF 0.80)
&rst
ixpk= 4475, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 429, 430, 431,
/
#
# 43 PRO HD3 48 LEU QD2 5.21 (#peak 4477 #SUP 0.85 #QF 0.85)
&rst
ixpk= 4477, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 720, 721, 722,
/
#
# 105 LEU HB3 105 LEU QD1 3.37 (#peak 4480 #SUP 1.00 #QF 0.93)
&rst
ixpk= 4480, nxpk= 0, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1585,1586,1587,
/
#
# 105 LEU HB2 105 LEU QD1 3.31 (#peak 4481 #SUP 1.00)
&rst
ixpk= 4481, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1585,1586,1587,
/
#
# 142 VAL HA 142 VAL QG1 3.17 (#peak 4492 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4492, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=2156,2157,2158,
/
#
# 110 THR HA 110 THR QG2 2.90 (#peak 4493 #SUP 1.00)
&rst
ixpk= 4493, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1675,1676,1677,
/
#
# 146 THR HA 146 THR QG2 2.66 (#peak 4494 #SUP 1.00 #QF 0.79)
&rst
ixpk= 4494, nxpk= 0, iat=2219, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2=2223,2224,2225,
/
#
# 106 ARG HA 110 THR QG2 3.81 (#peak 4495 #SUP 0.97 #QF 0.97)
&rst
ixpk= 4495, nxpk= 0, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1675,1676,1677,
/
#
# 66 PRO HA 69 LEU QD2 4.38 (#peak 4506 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4506, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1025,1026,1027,
/
#
# 43 PRO HB3 48 LEU QD1 5.17 (#peak 4510 #SUP 0.97 #QF 0.97)
&rst
ixpk= 4510, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 716, 717, 718,
/
#
# 48 LEU HB2 48 LEU QD1 3.37 (#peak 4515 #SUP 0.85 #QF 0.75)
&rst
ixpk= 4515, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 716, 717, 718,
/
#
# 48 LEU HB3 48 LEU QD1 3.37 (#peak 4516 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4516, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 716, 717, 718,
/
#
# 69 LEU HB2 69 LEU QD2 3.38 (#peak 4517 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4517, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1025,1026,1027,
/
#
# 69 LEU HB3 69 LEU QD2 3.26 (#peak 4518 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4518, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1025,1026,1027,
/
#
# 106 ARG HD3 121 VAL QG1 4.89 (#peak 4522 #SUP 0.58 #QF 0.58)
&rst
ixpk= 4522, nxpk= 0, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1841,1842,1843,
/
#
# 69 LEU HB3 69 LEU QD1 3.26 (#peak 4524 #SUP 0.85 #QF 0.85)
&rst
ixpk= 4524, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1021,1022,1023,
/
#
# 100 ILE QG2 100 ILE HG12 3.57 (#peak 4525 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4525, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1517,1518,1519,
/
#
# 112 LEU HG 158 GLU HA 4.51 (#peak 4527 #SUP 0.87 #QF 0.87)
&rst
ixpk= 4527, nxpk= 0, iat=1704,2407, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, /
#
# 115 LYS HA 115 LYS HD2 4.05 (#peak 4539 #SUP 0.96 #QF 0.96)
&rst
ixpk= 4539, nxpk= 0, iat=1740,1748, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, /
#
# 109 MET QE 165 GLN HB2 5.22 (#peak 4548 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4548, nxpk= 0, iat= -1,2518, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1663,1664,1665,
/
#
# 43 PRO HA 48 LEU QD1 5.15 (#peak 4550 #SUP 0.97 #QF 0.97)
&rst
ixpk= 4550, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 716, 717, 718,
/
#
# 111 ASN HA 112 LEU QD1 5.51 (#peak 4551 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4551, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1706,1707,1708,
/
#
# 111 ASN HB3 112 LEU QD1 3.96 (#peak 4553 #SUP 0.97 #QF 0.97)
&rst
ixpk= 4553, nxpk= 0, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1706,1707,1708,
/
#
# 33 GLY HA3 48 LEU QD1 3.76 (#peak 4558 #SUP 0.79 #QF 0.74)
&rst
ixpk= 4558, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 716, 717, 718,
/
#
# 106 ARG HD2 121 VAL QG1 4.89 (#peak 4560 #SUP 0.73 #QF 0.73)
&rst
ixpk= 4560, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1841,1842,1843,
/
#
# 69 LEU HB2 69 LEU QD1 3.38 (#peak 4564 #SUP 0.86 #QF 0.86)
&rst
ixpk= 4564, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1021,1022,1023,
/
#
# 29 THR QG2 52 ILE QD1 3.25 (#peak 4566 #SUP 0.94 #QF 0.94)
&rst
ixpk= 4566, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 429, 430, 431,
igr2= 785, 786, 787,
/
#
# 116 LEU QD2 168 TYR HB3 4.49 (#peak 4568 #SUP 0.72 #QF 0.72)
&rst
ixpk= 4568, nxpk= 0, iat= -1,2570, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1773,1774,1775,
/
#
# 156 GLN HA 159 VAL QG2 3.69 (#peak 4570 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4570, nxpk= 0, iat=2375, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=2430,2431,2432,
/
#
# 116 LEU QD2 120 GLU HG2 3.92 (#peak 4572 #SUP 0.97 #QF 0.97)
&rst
ixpk= 4572, nxpk= 0, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1773,1774,1775,
/
#
# 70 THR QG2 71 MET HB3 3.20 (#peak 4577 #SUP 0.67 #QF 0.45)
&rst
ixpk= 4577, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=1037,1038,1039,
/
#
# 110 THR QG2 121 VAL HB 2.85 (#peak 4578 #SUP 0.77 #QF 0.77)
&rst
ixpk= 4578, nxpk= 0, iat= -1,1839, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr1=1675,1676,1677,
/
#
# 109 MET HB2 110 THR QG2 3.63 (#peak 4579 #SUP 0.80 #QF 0.69)
&rst
ixpk= 4579, nxpk= 0, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1675,1676,1677,
/
#
# 70 THR QG2 71 MET HA 3.42 (#peak 4583 #SUP 0.38 #QF 0.38)
&rst
ixpk= 4583, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1037,1038,1039,
/
#
# 55 VAL QG2 71 MET QE 3.26 (#peak 4584 #SUP 0.86 #QF 0.86)
&rst
ixpk= 4584, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 830, 831, 832,
igr2=1056,1057,1058,
/
#
# 108 VAL QG2 161 ALA QB 4.14 (#peak 4585 #SUP 1.00)
&rst
ixpk= 4585, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1646,1647,1648,
igr2=2451,2452,2453,
/
#
# 64 ASP HA 65 PHE HB3 5.62 (#peak 4592 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4592, nxpk= 0, iat= 933, 948, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, /
#
# 105 LEU HA 109 MET HG2 5.07 (#peak 4640 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4640, nxpk= 0, iat=1578,1659, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, /
#
# 105 LEU HA 109 MET HG3 5.07 (#peak 4641 #SUP 1.00)
&rst
ixpk= 4641, nxpk= 0, iat=1578,1660, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, /
#
# 91 VAL HB 92 PHE HA 5.19 (#peak 4653 #SUP 1.00)
&rst
ixpk= 4653, nxpk= 0, iat=1384,1398, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, /
#
# 91 VAL HB 157 GLU HA 4.82 (#peak 4654 #SUP 0.96 #QF 0.96)
&rst
ixpk= 4654, nxpk= 0, iat=1384,2392, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, /
#
# 69 LEU HB3 70 THR HA 5.15 (#peak 4656 #SUP 0.67 #QF 0.67)
&rst
ixpk= 4656, nxpk= 0, iat=1017,1033, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, /
#
# 66 PRO HA 69 LEU HB2 4.15 (#peak 4657 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4657, nxpk= 0, iat= 973,1016, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, /
#
# 66 PRO HA 69 LEU HB3 4.44 (#peak 4658 #SUP 0.86 #QF 0.86)
&rst
ixpk= 4658, nxpk= 0, iat= 973,1017, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, /
#
# 47 GLU HA 50 ASP HB2 4.12 (#peak 4660 #SUP 0.87 #QF 0.87)
&rst
ixpk= 4660, nxpk= 0, iat= 694, 747, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, /
#
# 66 PRO HB2 69 LEU HB2 4.93 (#peak 4665 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4665, nxpk= 0, iat= 970,1016, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, /
#
# 66 PRO HB2 69 LEU HB3 6.50 (#peak 4666 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4666, nxpk= 0, iat= 970,1017, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 100 ILE QG2 105 LEU HB2 4.21 (#peak 4667 #SUP 0.86 #QF 0.86)
&rst
ixpk= 4667, nxpk= 0, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1517,1518,1519,
/
#
# 92 PHE HB3 108 VAL QG1 6.50 (#peak 4675 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4675, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1642,1643,1644,
/
#
# 19 PHE HB2 27 ILE HB 5.03 (#peak 4678 #SUP 1.00 #QF 0.65)
&rst
ixpk= 4678, nxpk= 0, iat= 288, 394, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, /
#
# 16 PHE HB3 18 LEU HB2 6.50 (#peak 4683 #SUP 0.70 #QF 0.59)
&rst
ixpk= 4683, nxpk= 0, iat= 239, 269, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 109 MET HB3 110 THR QG2 4.97 (#peak 4686 #SUP 0.90 #QF 0.90)
&rst
ixpk= 4686, nxpk= 0, iat=1657, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1675,1676,1677,
/
#
# 109 MET HB3 110 THR HA 6.05 (#peak 4687 #SUP 0.79 #QF 0.79)
&rst
ixpk= 4687, nxpk= 0, iat=1657,1671, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, /
#
# 109 MET HB2 110 THR HA 5.02 (#peak 4689 #SUP 0.75 #QF 0.75)
&rst
ixpk= 4689, nxpk= 0, iat=1656,1671, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, /
#
# 12 PHE HB2 72 MET QE 6.05 (#peak 4690 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4690, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1073,1074,1075,
/
#
# 12 PHE HB3 72 MET QE 6.13 (#peak 4691 #SUP 0.68 #QF 0.68)
&rst
ixpk= 4691, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr2=1073,1074,1075,
/
#
# 12 PHE HB2 15 ALA QB 6.15 (#peak 4693 #SUP 0.99 #QF 0.24)
&rst
ixpk= 4693, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 228, 229, 230,
/
#
# 111 ASN HA 115 LYS HD3 4.32 (#peak 4696 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4696, nxpk= 0, iat=1685,1749, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, /
#
# 111 ASN HA 115 LYS HD2 4.32 (#peak 4697 #SUP 0.96 #QF 0.96)
&rst
ixpk= 4697, nxpk= 0, iat=1685,1748, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, /
#
# 115 LYS HA 115 LYS HD3 4.05 (#peak 4698 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4698, nxpk= 0, iat=1740,1749, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, /
#
# 63 ILE HG13 67 GLU HB3 5.97 (#peak 4699 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4699, nxpk= 0, iat= 923, 982, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, /
#
# 13 LYS HA 13 LYS HD2 4.29 (#peak 4702 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4702, nxpk= 0, iat= 189, 197, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, /
#
# 4 LEU HA 8 GLN HB3 5.24 (#peak 4706 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4706, nxpk= 0, iat= 45, 111, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, /
#
# 85 ILE QD1 142 VAL HB 6.10 (#peak 4708 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4708, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1281,1282,1283,
/
#
# 120 GLU HB3 121 VAL HA 5.25 (#peak 4709 #SUP 0.87 #QF 0.87)
&rst
ixpk= 4709, nxpk= 0, iat=1825,1837, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, /
#
# 128 ALA HA 136 VAL HB 5.76 (#peak 4726 #SUP 0.92 #QF 0.85)
&rst
ixpk= 4726, nxpk= 0, iat=1955,2053, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, /
#
# 4 LEU HA 8 GLN HA 6.50 (#peak 4728 #SUP 0.98 #QF 0.46)
&rst
ixpk= 4728, nxpk= 0, iat= 45, 108, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 116 LEU HA 121 VAL HA 6.50 (#peak 4728 #SUP 0.98 #QF 0.46)
&rst
ixpk= 4728, nxpk= 0, iat=1762,1837, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 2 ASP HA 73 ALA HA 5.74 (#peak 4730 #SUP 0.97 #QF 0.41)
&rst
ixpk= 4730, nxpk= 0, iat= 16,1081, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, /
#
# 4 LEU HA 73 ALA HA 6.01 (#peak 4730 #SUP 0.97 #QF 0.41)
&rst
ixpk= 4730, nxpk= 0, iat= 45,1081, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, /
#
# 15 ALA HA 16 PHE HA 5.20 (#peak 4731 #SUP 0.99 #QF 0.98)
&rst
ixpk= 4731, nxpk= 0, iat= 226, 236, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, /
#
# 113 GLY HA3 114 GLU HA 5.47 (#peak 4731 #SUP 0.99 #QF 0.98)
&rst
ixpk= 4731, nxpk= 0, iat=1719,1725, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, /
#
# 12 PHE HA 15 ALA HA 5.47 (#peak 4732 #SUP 0.86 #QF 0.86)
&rst
ixpk= 4732, nxpk= 0, iat= 169, 226, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, /
#
# 113 GLY HA2 114 GLU HA 4.71 (#peak 4734 #SUP 0.56 #QF 0.56)
&rst
ixpk= 4734, nxpk= 0, iat=1718,1725, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, /
#
# 10 ALA HA 13 LYS HA 5.46 (#peak 4735 #SUP 1.00)
&rst
ixpk= 4735, nxpk= 0, iat= 144, 189, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, /
#
# 53 ASN HA 56 ASP HB2 6.44 (#peak 4737 #SUP 0.73 #QF 0.60)
&rst
ixpk= 4737, nxpk= 0, iat= 793, 840, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, /
#
# 10 ALA HA 13 LYS HB2 3.48 (#peak 4739 #SUP 0.89 #QF 0.89)
&rst
ixpk= 4739, nxpk= 0, iat= 144, 191, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, /
#
# 5 THR HA 9 ILE QD1 4.76 (#peak 4749 #SUP 0.87 #QF 0.83)
&rst
ixpk= 4749, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 136, 137, 138,
/
#
# 29 THR HB 52 ILE QD1 2.94 (#peak 4753 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4753, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 785, 786, 787,
/
#
# 29 THR HB 52 ILE HB 4.48 (#peak 4756 #SUP 0.94 #QF 0.94)
&rst
ixpk= 4756, nxpk= 0, iat= 427, 776, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, /
#
# 29 THR HA 29 THR HB 3.02 (#peak 4758 #SUP 1.00)
&rst
ixpk= 4758, nxpk= 0, iat= 425, 427, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, /
#
# 29 THR HB 52 ILE HA 5.69 (#peak 4759 #SUP 1.00)
&rst
ixpk= 4759, nxpk= 0, iat= 427, 774, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, /
#
# 110 THR HB 121 VAL HB 5.50 (#peak 4764 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4764, nxpk= 0, iat=1673,1839, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 112 LEU HB2 158 GLU HA 3.22 (#peak 4771 #SUP 0.89 #QF 0.89)
&rst
ixpk= 4771, nxpk= 0, iat=1701,2407, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, /
#
# 157 GLU HG2 158 GLU HA 3.90 (#peak 4772 #SUP 0.55 #QF 0.55)
&rst
ixpk= 4772, nxpk= 0, iat=2397,2407, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, /
#
# 49 GLN HB3 50 ASP HA 4.53 (#peak 4780 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4780, nxpk= 0, iat= 731, 745, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, /
#
# 75 LYS HA 75 LYS HD2 4.01 (#peak 4785 #SUP 0.84 #QF 0.84)
&rst
ixpk= 4785, nxpk= 0, iat=1115,1123, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, /
#
# 75 LYS HA 75 LYS HD3 4.01 (#peak 4786 #SUP 0.89 #QF 0.89)
&rst
ixpk= 4786, nxpk= 0, iat=1115,1124, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, /
#
# 166 ARG HA 166 ARG HD3 4.81 (#peak 4790 #SUP 0.91 #QF 0.91)
&rst
ixpk= 4790, nxpk= 0, iat=2533,2542, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, /
#
# 84 GLU HB3 163 ILE QG2 3.68 (#peak 4793 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4793, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=2482,2483,2484,
/
#
# 163 ILE QG2 164 ILE HG13 4.58 (#peak 4794 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4794, nxpk= 0, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2482,2483,2484,
/
#
# 111 ASN HB3 112 LEU HG 4.08 (#peak 4795 #SUP 0.78 #QF 0.78)
&rst
ixpk= 4795, nxpk= 0, iat=1688,1704, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, /
#
# 161 ALA QB 165 GLN HB2 5.65 (#peak 4797 #SUP 0.97 #QF 0.97)
&rst
ixpk= 4797, nxpk= 0, iat= -1,2518, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=2451,2452,2453,
/
#
# 106 ARG HA 109 MET HA 5.72 (#peak 4806 #SUP 0.97 #QF 0.97)
&rst
ixpk= 4806, nxpk= 0, iat=1597,1654, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, /
#
# 105 LEU HB3 106 ARG HA 4.60 (#peak 4807 #SUP 0.76 #QF 0.59)
&rst
ixpk= 4807, nxpk= 0, iat=1581,1597, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, /
#
# 105 LEU HG 106 ARG HA 5.13 (#peak 4807 #SUP 0.76 #QF 0.59)
&rst
ixpk= 4807, nxpk= 0, iat=1583,1597, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, /
#
# 124 MET HG3 125 ILE QD1 5.11 (#peak 4811 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4811, nxpk= 0, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1908,1909,1910,
/
#
# 172 LEU HA 173 LEU HA 5.65 (#peak 4817 #SUP 0.80 #QF 0.57)
&rst
ixpk= 4817, nxpk= 0, iat=2657,2676, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, /
#
# 172 LEU HA 175 GLN HA 6.36 (#peak 4817 #SUP 0.80 #QF 0.57)
&rst
ixpk= 4817, nxpk= 0, iat=2657,2717, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, /
#
# 169 ARG HA 172 LEU HA 5.66 (#peak 4818 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4818, nxpk= 0, iat=2588,2657, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, /
#
# 125 ILE QG2 134 GLY HA2 4.43 (#peak 4819 #SUP 0.91 #QF 0.91)
&rst
ixpk= 4819, nxpk= 0, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1901,1902,1903,
/
#
# 162 ILE QD1 165 GLN HB2 6.08 (#peak 4824 #SUP 0.91 #QF 0.68)
&rst
ixpk= 4824, nxpk= 0, iat= -1,2518, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=2470,2471,2472,
/
#
# 25 GLY HA2 64 ASP HA 5.84 (#peak 4825 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4825, nxpk= 0, iat= 371, 933, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, /
#
# 110 THR HB 121 VAL QG1 4.69 (#peak 4830 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4830, nxpk= 0, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1841,1842,1843,
/
#
# 16 PHE QD 65 PHE HB2 3.72 (#peak 2095 #SUP 1.00 #QF 0.50)
&rst
ixpk= 2095, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 242, 250,
/
#
# 168 TYR HA 171 TYR QD 4.65 (#peak 2106 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2106, nxpk= 0, iat=2567, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=2642,2651,
/
#
# 145 MET HA 171 TYR QD 3.37 (#peak 2107 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2107, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=2642,2651,
/
#
# 171 TYR QD 172 LEU HG 4.17 (#peak 2109 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2109, nxpk= 0, iat= -1,2662, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=2642,2651,
/
#
# 65 PHE QD 66 PRO HD3 3.18 (#peak 3365 #SUP 0.97 #QF 0.48)
&rst
ixpk= 3365, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1= 951, 959,
/
#
# 99 TYR HA 138 TYR QD 3.74 (#peak 3370 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3370, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2087,2096,
/
#
# 16 PHE QD 68 PHE QD 3.41 (#peak 3376 #SUP 0.68 #QF 0.68)
&rst
ixpk= 3376, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 242, 250,
igr2=1000,1008,
/
#
# 16 PHE QE 68 PHE HB2 3.61 (#peak 3384 #SUP 0.98 #QF 0.54)
&rst
ixpk= 3384, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 244, 248,
/
#
# 16 PHE QE 27 ILE HG13 4.01 (#peak 3387 #SUP 0.98 #QF 0.57)
&rst
ixpk= 3387, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 244, 248,
/
#
# 99 TYR HA 99 TYR QD 3.77 (#peak 3389 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3389, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1498,1507,
/
#
# 99 TYR QE 135 GLN HA 3.82 (#peak 3394 #SUP 0.75 #QF 0.75)
&rst
ixpk= 3394, nxpk= 0, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1500,1505,
/
#
# 144 MET HG2 171 TYR QD 4.05 (#peak 3397 #SUP 0.88 #QF 0.88)
&rst
ixpk= 3397, nxpk= 0, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=2642,2651,
/
#
# 144 MET QE 171 TYR QD 4.05 (#peak 3399 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3399, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=2194,2195,2196,
igr2=2642,2651,
/
#
# 147 ALA QB 171 TYR QD 4.93 (#peak 3402 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3402, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1=2235,2236,2237,
igr2=2642,2651,
/
#
# 144 MET HG3 171 TYR QD 5.14 (#peak 3406 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3406, nxpk= 0, iat=2191, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=2642,2651,
/
#
# 171 TYR QD 172 LEU HA 3.83 (#peak 3410 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3410, nxpk= 0, iat= -1,2657, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=2642,2651,
/
#
# 107 HIS HD2 108 VAL QG2 4.11 (#peak 3415 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3415, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1646,1647,1648,
/
#
# 107 HIS HD2 112 LEU HG 5.38 (#peak 3418 #SUP 0.80 #QF 0.80)
&rst
ixpk= 3418, nxpk= 0, iat=1632,1704, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, /
#
# 107 HIS HD2 109 MET QE 6.50 (#peak 3419 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3419, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1663,1664,1665,
/
#
# 107 HIS HD2 108 VAL HB 4.81 (#peak 3420 #SUP 1.00)
&rst
ixpk= 3420, nxpk= 0, iat=1632,1640, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, /
#
# 107 HIS HD2 111 ASN HB2 4.54 (#peak 3422 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3422, nxpk= 0, iat=1632,1687, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, /
#
# 107 HIS HD2 108 VAL HA 3.67 (#peak 3425 #SUP 1.00)
&rst
ixpk= 3425, nxpk= 0, iat=1632,1638, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, /
#
# 107 HIS HB3 107 HIS HD2 3.45 (#peak 3426 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3426, nxpk= 0, iat=1624,1632, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, /
#
# 107 HIS HA 107 HIS HD2 4.47 (#peak 3428 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3428, nxpk= 0, iat=1621,1632, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, /
#
# 104 GLU HA 107 HIS HD2 4.76 (#peak 3429 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3429, nxpk= 0, iat=1563,1632, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, /
#
# 105 LEU HA 107 HIS HD2 5.93 (#peak 3430 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3430, nxpk= 0, iat=1578,1632, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, /
#
# 107 HIS HD2 111 ASN HA 6.50 (#peak 3433 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3433, nxpk= 0, iat=1632,1685, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 144 MET HA 171 TYR QE 4.92 (#peak 3437 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3437, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2644,2649,
/
#
# 145 MET HA 171 TYR QE 4.00 (#peak 3438 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3438, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2644,2649,
/
#
# 171 TYR QE 172 LEU HA 4.76 (#peak 3439 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3439, nxpk= 0, iat= -1,2657, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2644,2649,
/
#
# 168 TYR QE 172 LEU QD1 3.26 (#peak 3442 #SUP 0.99 #QF 0.84)
&rst
ixpk= 3442, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=2575,2580,
igr2=2664,2665,2666,
/
#
# 124 MET QE 168 TYR QE 3.43 (#peak 3444 #SUP 0.83 #QF 0.83)
&rst
ixpk= 3444, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1889,1890,1891,
igr2=2575,2580,
/
#
# 116 LEU QD2 168 TYR QE 4.44 (#peak 3445 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3445, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1773,1774,1775,
igr2=2575,2580,
/
#
# 168 TYR HA 168 TYR QE 4.33 (#peak 3447 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3447, nxpk= 0, iat=2567, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=2575,2580,
/
#
# 120 GLU HA 168 TYR QE 3.80 (#peak 3448 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3448, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=2575,2580,
/
#
# 124 MET HA 168 TYR QE 3.38 (#peak 3449 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3449, nxpk= 0, iat=1880, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=2575,2580,
/
#
# 127 GLU HG3 168 TYR QE 4.62 (#peak 3451 #SUP 0.86 #QF 0.80)
&rst
ixpk= 3451, nxpk= 0, iat=1946, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2575,2580,
/
#
# 120 GLU HB3 168 TYR QE 4.24 (#peak 3452 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3452, nxpk= 0, iat=1825, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=2575,2580,
/
#
# 120 GLU HG3 168 TYR QE 3.65 (#peak 3454 #SUP 0.90 #QF 0.55)
&rst
ixpk= 3454, nxpk= 0, iat=1828, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=2575,2580,
/
#
# 144 MET HG2 171 TYR QE 4.07 (#peak 3454 #SUP 0.90 #QF 0.55)
&rst
ixpk= 3454, nxpk= 0, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=2644,2649,
/
#
# 123 GLU HB3 168 TYR QE 4.15 (#peak 3455 #SUP 0.91 #QF 0.86)
&rst
ixpk= 3455, nxpk= 0, iat=1868, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=2575,2580,
/
#
# 127 GLU HG2 168 TYR QE 4.62 (#peak 3455 #SUP 0.91 #QF 0.86)
&rst
ixpk= 3455, nxpk= 0, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2575,2580,
/
#
# 144 MET QE 171 TYR QE 3.30 (#peak 3456 #SUP 0.76 #QF 0.76)
&rst
ixpk= 3456, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=2194,2195,2196,
igr2=2644,2649,
/
#
# 124 MET HB2 168 TYR QE 3.57 (#peak 3457 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3457, nxpk= 0, iat=1882, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=2575,2580,
/
#
# 168 TYR QE 172 LEU HG 4.44 (#peak 3458 #SUP 0.79 #QF 0.79)
&rst
ixpk= 3458, nxpk= 0, iat= -1,2662, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=2575,2580,
/
#
# 144 MET HG3 171 TYR QE 4.22 (#peak 3460 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3460, nxpk= 0, iat=2191, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2644,2649,
/
#
# 16 PHE QD 16 PHE HZ 4.15 (#peak 3528 #SUP 0.99 #QF 0.82)
&rst
ixpk= 3528, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 242, 250,
/
#
# 12 PHE HA 12 PHE QD 2.96 (#peak 3532 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3532, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 175, 183,
/
#
# 16 PHE HZ 68 PHE HB3 4.66 (#peak 3540 #SUP 0.66 #QF 0.66)
&rst
ixpk= 3540, nxpk= 0, iat= 246, 997, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, /
#
# 16 PHE HZ 65 PHE HA 5.03 (#peak 3541 #SUP 1.00)
&rst
ixpk= 3541, nxpk= 0, iat= 246, 945, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, /
#
# 65 PHE QD 65 PHE HZ 4.19 (#peak 3547 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3547, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 951, 959,
/
#
# 92 PHE HZ 161 ALA HA 4.26 (#peak 3558 #SUP 1.00)
&rst
ixpk= 3558, nxpk= 0, iat=1408,2449, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, /
#
# 92 PHE HZ 157 GLU HG3 4.60 (#peak 3567 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3567, nxpk= 0, iat=1408,2398, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, /
#
# 92 PHE HZ 157 GLU HG2 4.13 (#peak 3568 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3568, nxpk= 0, iat=1408,2397, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, /
#
# 92 PHE HZ 160 SER HA 5.12 (#peak 3569 #SUP 1.00)
&rst
ixpk= 3569, nxpk= 0, iat=1408,2438, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, /
#
# 92 PHE HZ 160 SER HB2 4.22 (#peak 3570 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3570, nxpk= 0, iat=1408,2440, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, /
#
# 92 PHE HZ 160 SER HB3 3.96 (#peak 3571 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3571, nxpk= 0, iat=1408,2441, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, /
#
# 16 PHE QD 64 ASP HA 5.72 (#peak 3572 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3572, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 242, 250,
/
#
# 65 PHE QD 69 LEU HG 5.97 (#peak 3577 #SUP 1.00)
&rst
ixpk= 3577, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 951, 959,
/
#
# 13 LYS HD3 65 PHE QD 5.07 (#peak 3578 #SUP 1.00)
&rst
ixpk= 3578, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 951, 959,
/
#
# 65 PHE QD 66 PRO HB3 4.25 (#peak 3579 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3579, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 951, 959,
/
#
# 16 PHE QD 63 ILE HB 6.42 (#peak 3580 #SUP 0.99 #QF 0.97)
&rst
ixpk= 3580, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 242, 250,
/
#
# 65 PHE QD 66 PRO HG3 5.22 (#peak 3582 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3582, nxpk= 0, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 951, 959,
/
#
# 12 PHE HB3 16 PHE QD 5.50 (#peak 3584 #SUP 0.99 #QF 0.47)
&rst
ixpk= 3584, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 242, 250,
/
#
# 16 PHE QD 68 PHE HB2 4.06 (#peak 3586 #SUP 0.43 #QF 0.43)
&rst
ixpk= 3586, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 242, 250,
/
#
# 16 PHE QE 65 PHE HA 3.68 (#peak 3605 #SUP 0.81 #QF 0.81)
&rst
ixpk= 3605, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 244, 248,
/
#
# 86 ARG HA 89 PHE QD 3.36 (#peak 3610 #SUP 1.00)
&rst
ixpk= 3610, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1344,1352,
/
#
# 89 PHE HA 89 PHE QD 3.16 (#peak 3611 #SUP 1.00)
&rst
ixpk= 3611, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1344,1352,
/
#
# 89 PHE QD 164 ILE QG2 4.05 (#peak 3615 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3615, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1344,1352,
igr2=2501,2502,2503,
/
#
# 89 PHE QD 142 VAL QG2 3.76 (#peak 3617 #SUP 1.00)
&rst
ixpk= 3617, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1344,1352,
igr2=2160,2161,2162,
/
#
# 92 PHE QD 100 ILE HG12 5.20 (#peak 3624 #SUP 0.95 #QF 0.92)
&rst
ixpk= 3624, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1404,1412,
/
#
# 92 PHE QD 157 GLU HG3 4.22 (#peak 3625 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3625, nxpk= 0, iat= -1,2398, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1404,1412,
/
#
# 92 PHE QD 157 GLU HA 4.50 (#peak 3628 #SUP 1.00)
&rst
ixpk= 3628, nxpk= 0, iat= -1,2392, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1404,1412,
/
#
# 92 PHE QD 160 SER HB2 5.05 (#peak 3629 #SUP 0.66 #QF 0.66)
&rst
ixpk= 3629, nxpk= 0, iat= -1,2440, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1404,1412,
/
#
# 88 ALA HA 92 PHE QD 5.88 (#peak 3630 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3630, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2=1404,1412,
/
#
# 97 ASN HA 99 TYR QD 4.69 (#peak 3638 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3638, nxpk= 0, iat=1471, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1498,1507,
/
#
# 99 TYR QD 135 GLN HG2 3.90 (#peak 3646 #SUP 0.87 #QF 0.87)
&rst
ixpk= 3646, nxpk= 0, iat= -1,2039, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1498,1507,
/
#
# 99 TYR QD 135 GLN HG3 4.71 (#peak 3648 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3648, nxpk= 0, iat= -1,2040, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1498,1507,
/
#
# 99 TYR QD 100 ILE QG2 5.27 (#peak 3650 #SUP 0.87 #QF 0.87)
&rst
ixpk= 3650, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=1498,1507,
igr2=1517,1518,1519,
/
#
# 97 ASN HB2 99 TYR QE 3.73 (#peak 3651 #SUP 0.51 #QF 0.51)
&rst
ixpk= 3651, nxpk= 0, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1500,1505,
/
#
# 13 LYS HA 65 PHE QE 3.10 (#peak 3705 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3705, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 953, 957,
/
#
# 9 ILE HA 12 PHE QD 3.37 (#peak 3707 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3707, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 175, 183,
/
#
# 12 PHE QD 72 MET QE 3.49 (#peak 3709 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3709, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 175, 183,
igr2=1073,1074,1075,
/
#
# 4 LEU HG 12 PHE QD 3.96 (#peak 3711 #SUP 1.00 #QF 0.43)
&rst
ixpk= 3711, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 175, 183,
/
#
# 12 PHE QD 39 LEU QD2 3.02 (#peak 3712 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3712, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 175, 183,
igr2= 595, 596, 597,
/
#
# 12 PHE QD 39 LEU QD1 3.02 (#peak 3713 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3713, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 175, 183,
igr2= 591, 592, 593,
/
#
# 12 PHE QE 72 MET HG3 4.57 (#peak 3715 #SUP 0.99 #QF 0.92)
&rst
ixpk= 3715, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 177, 181,
/
#
# 12 PHE QE 69 LEU QD2 4.50 (#peak 3716 #SUP 1.00)
&rst
ixpk= 3716, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 177, 181,
igr2=1025,1026,1027,
/
#
# 12 PHE QE 39 LEU QD2 4.01 (#peak 3719 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3719, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 177, 181,
igr2= 595, 596, 597,
/
#
# 12 PHE QE 72 MET QE 3.43 (#peak 3720 #SUP 1.00)
&rst
ixpk= 3720, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 177, 181,
igr2=1073,1074,1075,
/
#
# 8 GLN HB3 12 PHE QE 3.83 (#peak 3721 #SUP 0.91 #QF 0.80)
&rst
ixpk= 3721, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 177, 181,
/
#
# 4 LEU HG 12 PHE QE 4.45 (#peak 3722 #SUP 0.99 #QF 0.42)
&rst
ixpk= 3722, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 177, 181,
/
#
# 15 ALA HA 19 PHE QE 4.00 (#peak 3728 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3728, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 294, 298,
/
#
# 12 PHE HZ 72 MET QE 3.56 (#peak 3735 #SUP 1.00)
&rst
ixpk= 3735, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1073,1074,1075,
/
#
# 16 PHE QE 25 GLY HA3 4.49 (#peak 3740 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3740, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 244, 248,
/
#
# 19 PHE QE 35 VAL QG1 3.99 (#peak 3741 #SUP 1.00)
&rst
ixpk= 3741, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 294, 298,
igr2= 520, 521, 522,
/
#
# 19 PHE HZ 34 THR QG2 3.19 (#peak 3742 #SUP 1.00)
&rst
ixpk= 3742, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 506, 507, 508,
/
#
# 12 PHE HZ 73 ALA HA 5.80 (#peak 3743 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3743, nxpk= 0, iat= 179,1081, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, /
#
# 19 PHE HZ 35 VAL HA 4.35 (#peak 3744 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3744, nxpk= 0, iat= 296, 516, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, /
#
# 19 PHE HZ 38 SER HB3 4.90 (#peak 3746 #SUP 1.00)
&rst
ixpk= 3746, nxpk= 0, iat= 296, 576, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, /
#
# 15 ALA HA 19 PHE HZ 6.50 (#peak 3747 #SUP 1.00 #QF 0.97)
&rst
ixpk= 3747, nxpk= 0, iat= 226, 296, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 19 PHE HA 19 PHE HZ 6.50 (#peak 3747 #SUP 1.00 #QF 0.97)
&rst
ixpk= 3747, nxpk= 0, iat= 286, 296, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 12 PHE HZ 76 MET HA 6.50 (#peak 3747 #SUP 1.00 #QF 0.97)
&rst
ixpk= 3747, nxpk= 0, iat= 179,1137, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 8 GLN HB2 12 PHE HZ 6.04 (#peak 3749 #SUP 0.48 #QF 0.22)
&rst
ixpk= 3749, nxpk= 0, iat= 110, 179, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, /
#
# 12 PHE HZ 72 MET HB3 5.05 (#peak 3751 #SUP 0.77 #QF 0.77)
&rst
ixpk= 3751, nxpk= 0, iat= 179,1067, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, /
#
# 19 PHE HA 19 PHE QD 3.35 (#peak 3756 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3756, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 292, 300,
/
#
# 19 PHE QD 35 VAL HA 4.26 (#peak 3760 #SUP 1.00)
&rst
ixpk= 3760, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 292, 300,
/
#
# 19 PHE QD 34 THR QG2 3.91 (#peak 3767 #SUP 1.00)
&rst
ixpk= 3767, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 292, 300,
igr2= 506, 507, 508,
/
#
# 18 LEU QD2 19 PHE QD 4.93 (#peak 3768 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3768, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 278, 279, 280,
igr2= 292, 300,
/
#
# 19 PHE QD 27 ILE QG2 4.19 (#peak 3772 #SUP 1.00)
&rst
ixpk= 3772, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 292, 300,
igr2= 396, 397, 398,
/
#
# 18 LEU QD1 19 PHE QD 4.93 (#peak 3774 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3774, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 274, 275, 276,
igr2= 292, 300,
/
#
# 19 PHE QE 27 ILE QG2 6.06 (#peak 3775 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3775, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1= 294, 298,
igr2= 396, 397, 398,
/
#
# 19 PHE QE 38 SER HB3 4.48 (#peak 3776 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3776, nxpk= 0, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 294, 298,
/
#
# 19 PHE QE 34 THR HB 4.16 (#peak 3778 #SUP 1.00)
&rst
ixpk= 3778, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 294, 298,
/
#
# 4 LEU HA 12 PHE QE 5.36 (#peak 3779 #SUP 0.96 #QF 0.93)
&rst
ixpk= 3779, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 177, 181,
/
#
# 12 PHE QE 39 LEU HA 6.01 (#peak 3779 #SUP 0.96 #QF 0.93)
&rst
ixpk= 3779, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 177, 181,
/
#
# 19 PHE QE 31 GLU HA 5.90 (#peak 3780 #SUP 1.00)
&rst
ixpk= 3780, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 294, 298,
/
#
# 12 PHE QE 72 MET HB3 4.58 (#peak 3781 #SUP 1.00)
&rst
ixpk= 3781, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 177, 181,
/
#
# 68 PHE QD 69 LEU HA 4.45 (#peak 3783 #SUP 1.00)
&rst
ixpk= 3783, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1000,1008,
/
#
# 168 TYR QD 172 LEU QD1 3.94 (#peak 3798 #SUP 1.00 #QF 0.55)
&rst
ixpk= 3798, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=2573,2582,
igr2=2664,2665,2666,
/
#
# 116 LEU QD2 168 TYR QD 3.63 (#peak 3799 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3799, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1773,1774,1775,
igr2=2573,2582,
/
#
# 89 PHE QD 138 TYR QE 4.47 (#peak 3801 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3801, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1344,1352,
igr2=2089,2094,
/
#
# 99 TYR QE 134 GLY HA3 6.50 (#peak 3804 #SUP 0.99 #QF 0.25)
&rst
ixpk= 3804, nxpk= 0, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1500,1505,
/
#
# 99 TYR QE 136 VAL HA 6.50 (#peak 3804 #SUP 0.99 #QF 0.25)
&rst
ixpk= 3804, nxpk= 0, iat= -1,2051, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1500,1505,
/
#
# 86 ARG HA 138 TYR QE 3.56 (#peak 3805 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3805, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=2089,2094,
/
#
# 93 ASP HB3 138 TYR QE 4.01 (#peak 3808 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3808, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=2089,2094,
/
#
# 97 ASN HB3 99 TYR QE 3.73 (#peak 3809 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3809, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1500,1505,
/
#
# 89 PHE HB3 138 TYR QE 3.72 (#peak 3810 #SUP 0.98 #QF 0.97)
&rst
ixpk= 3810, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=2089,2094,
/
#
# 93 ASP HB2 138 TYR QE 4.01 (#peak 3810 #SUP 0.98 #QF 0.97)
&rst
ixpk= 3810, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=2089,2094,
/
#
# 99 TYR QE 135 GLN HG2 3.66 (#peak 3813 #SUP 0.93 #QF 0.83)
&rst
ixpk= 3813, nxpk= 0, iat= -1,2039, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1500,1505,
/
#
# 99 TYR QE 135 GLN HG3 3.44 (#peak 3815 #SUP 0.87 #QF 0.87)
&rst
ixpk= 3815, nxpk= 0, iat= -1,2040, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=1500,1505,
/
#
# 100 ILE QD1 138 TYR QE 4.00 (#peak 3821 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3821, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1524,1525,1526,
igr2=2089,2094,
/
#
# 99 TYR QE 136 VAL QG1 5.95 (#peak 3823 #SUP 0.46 #QF 0.46)
&rst
ixpk= 3823, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1=1500,1505,
igr2=2055,2056,2057,
/
#
# 89 PHE HZ 164 ILE QD1 4.42 (#peak 3824 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3824, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=2508,2509,2510,
/
#
# 89 PHE HZ 141 PHE QE 4.16 (#peak 3825 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3825, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=2140,2144,
/
#
# 89 PHE HZ 141 PHE QD 3.42 (#peak 3826 #SUP 0.87 #QF 0.87)
&rst
ixpk= 3826, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=2138,2146,
/
#
# 89 PHE HZ 100 ILE QD1 5.35 (#peak 3830 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3830, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1524,1525,1526,
/
#
# 89 PHE HZ 105 LEU QD2 4.41 (#peak 3833 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3833, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1589,1590,1591,
/
#
# 89 PHE HZ 105 LEU QD1 4.41 (#peak 3834 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3834, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1585,1586,1587,
/
#
# 89 PHE HZ 145 MET QE 3.81 (#peak 3835 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3835, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=2211,2212,2213,
/
#
# 89 PHE HA 89 PHE HZ 5.79 (#peak 3840 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3840, nxpk= 0, iat=1338,1348, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, /
#
# 89 PHE HZ 138 TYR HA 5.39 (#peak 3841 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3841, nxpk= 0, iat=1348,2081, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, /
#
# 12 PHE HB3 68 PHE QD 4.14 (#peak 3844 #SUP 0.60 #QF 0.60)
&rst
ixpk= 3844, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1000,1008,
/
#
# 92 PHE QE 160 SER HB2 3.68 (#peak 3845 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3845, nxpk= 0, iat= -1,2440, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1406,1410,
/
#
# 16 PHE QE 25 GLY HA2 3.79 (#peak 3846 #SUP 0.90 #QF 0.71)
&rst
ixpk= 3846, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 244, 248,
/
#
# 92 PHE QE 160 SER HB3 4.13 (#peak 3846 #SUP 0.90 #QF 0.71)
&rst
ixpk= 3846, nxpk= 0, iat= -1,2441, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1406,1410,
/
#
# 16 PHE HB2 68 PHE QD 4.57 (#peak 3850 #SUP 0.97 #QF 0.86)
&rst
ixpk= 3850, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1000,1008,
/
#
# 92 PHE QE 157 GLU HG2 3.67 (#peak 3851 #SUP 0.99 #QF 0.57)
&rst
ixpk= 3851, nxpk= 0, iat= -1,2397, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1406,1410,
/
#
# 92 PHE QE 157 GLU HG3 3.46 (#peak 3852 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3852, nxpk= 0, iat= -1,2398, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1406,1410,
/
#
# 91 VAL HB 92 PHE QE 4.71 (#peak 3853 #SUP 0.88 #QF 0.88)
&rst
ixpk= 3853, nxpk= 0, iat=1384, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1406,1410,
/
#
# 88 ALA QB 92 PHE QE 4.16 (#peak 3854 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3854, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1330,1331,1332,
igr2=1406,1410,
/
#
# 19 PHE HZ 38 SER HA 5.84 (#peak 3860 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3860, nxpk= 0, iat= 296, 573, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, /
#
# 89 PHE QD 138 TYR HB3 3.90 (#peak 3866 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3866, nxpk= 0, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1344,1352,
/
#
# 120 GLU HG3 168 TYR QD 4.57 (#peak 3868 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3868, nxpk= 0, iat=1828, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=2573,2582,
/
#
# 168 TYR QD 171 TYR HB3 3.92 (#peak 3869 #SUP 0.86 #QF 0.86)
&rst
ixpk= 3869, nxpk= 0, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=2573,2582,
/
#
# 128 ALA QB 138 TYR QD 6.50 (#peak 3870 #SUP 1.00 #QF 0.99)
&rst
ixpk= 3870, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1957,1958,1959,
igr2=2087,2096,
/
#
# 105 LEU QD1 138 TYR QD 6.26 (#peak 3871 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3871, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.44, r4= 8.94,
igr1=1585,1586,1587,
igr2=2087,2096,
/
#
# 100 ILE HG13 138 TYR QD 4.20 (#peak 3873 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3873, nxpk= 0, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2087,2096,
/
#
# 85 ILE QG2 138 TYR QD 5.09 (#peak 3875 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3875, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=1274,1275,1276,
igr2=2087,2096,
/
#
# 89 PHE HB2 138 TYR QD 3.98 (#peak 3879 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3879, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=2087,2096,
/
#
# 138 TYR QD 142 VAL HB 4.57 (#peak 3880 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3880, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=2087,2096,
/
#
# 89 PHE HB3 138 TYR QD 3.68 (#peak 3884 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3884, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=2087,2096,
/
#
# 86 ARG HA 138 TYR QD 3.53 (#peak 3887 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3887, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=2087,2096,
/
#
# 89 PHE HA 138 TYR QD 5.10 (#peak 3888 #SUP 0.79 #QF 0.79)
&rst
ixpk= 3888, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=2087,2096,
/
#
# 100 ILE HA 138 TYR QD 4.55 (#peak 3889 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3889, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=2087,2096,
/
#
# 137 ASN HA 138 TYR QD 4.51 (#peak 3890 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3890, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=2087,2096,
/
#
# 89 PHE QD 138 TYR QD 3.64 (#peak 3892 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3892, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1344,1352,
igr2=2087,2096,
/
#
# 89 PHE QE 138 TYR QD 4.47 (#peak 3893 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3893, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1346,1350,
igr2=2087,2096,
/
#
# 89 PHE QE 105 LEU QD1 3.57 (#peak 3895 #SUP 1.00)
&rst
ixpk= 3895, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=1346,1350,
igr2=1585,1586,1587,
/
#
# 89 PHE QD 92 PHE HB2 4.51 (#peak 3896 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3896, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1344,1352,
/
#
# 168 TYR QD 169 ARG HA 4.46 (#peak 3897 #SUP 1.00)
&rst
ixpk= 3897, nxpk= 0, iat= -1,2588, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=2573,2582,
/
#
# 99 TYR QE 136 VAL QG2 5.95 (#peak 4589 #SUP 0.94 #QF 0.94)
&rst
ixpk= 4589, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1=1500,1505,
igr2=2059,2060,2061,
/
#
# 107 HIS HD2 161 ALA QB 6.42 (#peak 4591 #SUP 1.00)
&rst
ixpk= 4591, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr2=2451,2452,2453,
/
#
# 141 PHE QD 142 VAL HA 5.38 (#peak 4594 #SUP 0.98 #QF 0.95)
&rst
ixpk= 4594, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=2138,2146,
/
#
# 16 PHE HZ 25 GLY HA3 6.50 (#peak 4596 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4596, nxpk= 0, iat= 246, 372, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 16 PHE HZ 65 PHE HB3 5.87 (#peak 4598 #SUP 0.85 #QF 0.85)
&rst
ixpk= 4598, nxpk= 0, iat= 246, 948, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, /
#
# 16 PHE HZ 64 ASP HB3 5.44 (#peak 4599 #SUP 1.00)
&rst
ixpk= 4599, nxpk= 0, iat= 246, 936, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, /
#
# 65 PHE QD 69 LEU HB2 6.07 (#peak 4601 #SUP 0.94 #QF 0.94)
&rst
ixpk= 4601, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 951, 959,
/
#
# 89 PHE QD 142 VAL HB 4.82 (#peak 4602 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4602, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1344,1352,
/
#
# 16 PHE QD 63 ILE QD1 5.97 (#peak 4605 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4605, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr1= 242, 250,
igr2= 925, 926, 927,
/
#
# 16 PHE QD 26 THR QG2 6.50 (#peak 4606 #SUP 0.97 #QF 0.67)
&rst
ixpk= 4606, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 242, 250,
igr2= 382, 383, 384,
/
#
# 89 PHE QD 100 ILE HG13 4.73 (#peak 4608 #SUP 0.94 #QF 0.94)
&rst
ixpk= 4608, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1344,1352,
/
#
# 141 PHE QD 144 MET HG2 3.80 (#peak 4611 #SUP 0.72 #QF 0.72)
&rst
ixpk= 4611, nxpk= 0, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=2138,2146,
/
#
# 92 PHE QD 157 GLU HB2 5.21 (#peak 4613 #SUP 0.99 #QF 0.58)
&rst
ixpk= 4613, nxpk= 0, iat= -1,2394, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1404,1412,
/
#
# 107 HIS HE1 112 LEU QD1 6.50 (#peak 4616 #SUP 0.95 #QF 0.88)
&rst
ixpk= 4616, nxpk= 0, iat=1628, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1706,1707,1708,
/
#
# 107 HIS HE1 112 LEU QD2 6.50 (#peak 4616 #SUP 0.95 #QF 0.88)
&rst
ixpk= 4616, nxpk= 0, iat=1628, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1710,1711,1712,
/
#
# 107 HIS HE1 111 ASN HB2 4.71 (#peak 4618 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4618, nxpk= 0, iat=1628,1687, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, /
#
# 107 HIS HE1 111 ASN HA 6.18 (#peak 4623 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4623, nxpk= 0, iat=1628,1685, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, /
#
# 65 PHE QE 66 PRO HD3 4.63 (#peak 4627 #SUP 0.83 #QF 0.83)
&rst
ixpk= 4627, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 953, 957,
/
#
# 32 LEU HB2 68 PHE QD 5.44 (#peak 4628 #SUP 0.97 #QF 0.56)
&rst
ixpk= 4628, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1000,1008,
/
#
# 68 PHE QD 72 MET QE 5.90 (#peak 4628 #SUP 0.97 #QF 0.56)
&rst
ixpk= 4628, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr1=1000,1008,
igr2=1073,1074,1075,
/
#
# 92 PHE HZ 109 MET HA 6.50 (#peak 4629 #SUP 0.87 #QF 0.87)
&rst
ixpk= 4629, nxpk= 0, iat=1408,1654, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 12 PHE HZ 76 MET HB3 6.22 (#peak 4633 #SUP 0.98 #QF 0.84)
&rst
ixpk= 4633, nxpk= 0, iat= 179,1140, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, /
#
# 4 LEU HG 12 PHE HZ 5.76 (#peak 4634 #SUP 0.83 #QF 0.33)
&rst
ixpk= 4634, nxpk= 0, iat= 50, 179, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, /
#
# 89 PHE HZ 141 PHE HA 6.50 (#peak 4814 #SUP 1.00)
&rst
ixpk= 4814, nxpk= 0, iat=1348,2132, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 89 PHE HZ 138 TYR HB3 5.50 (#peak 4815 #SUP 0.60 #QF 0.60)
&rst
ixpk= 4815, nxpk= 0, iat=1348,2084, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 107 HIS HD2 111 ASN HB3 5.53 (#peak 4831 #SUP 1.00)
&rst
ixpk= 4831, nxpk= 0, iat=1632,1688, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, /
#
# 2 ASP QB 3 GLN HA 5.74 (#peak 4738)
&rst
ixpk= 4738, nxpk= 0, iat= -1, 28, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 18, 19,
/
#
# 3 GLN HA 3 GLN QG 3.54 (#peak 4133)
&rst
ixpk= 4133, nxpk= 0, iat= 28, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 33, 34,
/
#
# 3 GLN QB 4 LEU HA 4.60 (#peak 4713)
&rst
ixpk= 4713, nxpk= 0, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 30, 31,
/
#
# 3 GLN QG 4 LEU HA 4.54 (#peak 4174)
&rst
ixpk= 4174, nxpk= 0, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 33, 34,
/
#
# 4 LEU HA 4 LEU QQD 2.70 (#peak 3464)
&rst
ixpk= 3464, nxpk= 0, iat= 45, 49, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, /
#
# 4 LEU HA 8 GLN QG 5.31 (#peak 1034)
&rst
ixpk= 1034, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 113, 114,
/
#
# 4 LEU QB 4 LEU QQD 2.73 (#peak 2246)
&rst
ixpk= 2246, nxpk= 0, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 47, 48,
/
#
# 4 LEU QB 8 GLN HA 5.65 (#peak 2254)
&rst
ixpk= 2254, nxpk= 0, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 47, 48,
/
#
# 4 LEU QB 8 GLN HB2 3.98 (#peak 2251)
&rst
ixpk= 2251, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 47, 48,
/
#
# 4 LEU QB 9 ILE HA 4.44 (#peak 4245)
&rst
ixpk= 4245, nxpk= 0, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 47, 48,
/
#
# 4 LEU QB 12 PHE QD 5.64 (#peak 177)
&rst
ixpk= 177, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 47, 48,
igr2= 175, 183,
/
#
# 4 LEU QB 12 PHE HZ 6.27 (#peak 176)
&rst
ixpk= 176, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 47, 48,
/
#
# 4 LEU QB 69 LEU QQD 4.94 (#peak 2256)
&rst
ixpk= 2256, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
igr1= 47, 48,
/
#
# 4 LEU QQD 8 GLN HB2 3.77 (#peak 4555)
&rst
ixpk= 4555, nxpk= 0, iat= 49, 110, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, /
#
# 4 LEU QQD 8 GLN HB3 3.76 (#peak 4540)
&rst
ixpk= 4540, nxpk= 0, iat= 49, 111, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, /
#
# 4 LEU QQD 8 GLN QG 4.36 (#peak 3011)
&rst
ixpk= 3011, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 113, 114,
/
#
# 4 LEU QQD 9 ILE HA 4.71 (#peak 4446)
&rst
ixpk= 4446, nxpk= 0, iat= 49, 125, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, /
#
# 4 LEU QQD 12 PHE HB2 5.53 (#peak 919)
&rst
ixpk= 919, nxpk= 0, iat= 49, 171, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, /
#
# 4 LEU QQD 12 PHE QD 3.49 (#peak 849)
&rst
ixpk= 849, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 175, 183,
/
#
# 4 LEU QQD 12 PHE QE 2.92 (#peak 800)
&rst
ixpk= 800, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 177, 181,
/
#
# 4 LEU QQD 12 PHE HZ 3.88 (#peak 801)
&rst
ixpk= 801, nxpk= 0, iat= 49, 179, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, /
#
# 4 LEU QQD 69 LEU HA 3.70 (#peak 2601)
&rst
ixpk= 2601, nxpk= 0, iat= 49,1014, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, /
#
# 4 LEU QQD 69 LEU HB3 3.44 (#peak 3923)
&rst
ixpk= 3923, nxpk= 0, iat= 49,1017, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, /
#
# 4 LEU QQD 69 LEU QQD 3.15 (#peak 4451)
&rst
ixpk= 4451, nxpk= 0, iat= 49,1018, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05, /
#
# 4 LEU QQD 73 ALA HA 3.14 (#peak 2944)
&rst
ixpk= 2944, nxpk= 0, iat= 49,1081, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, /
#
# 4 LEU QQD 73 ALA QB 2.94 (#peak 3216)
&rst
ixpk= 3216, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1083,1084,1085,
/
#
# 4 LEU QQD 76 MET QG 4.18 (#peak 1785)
&rst
ixpk= 1785, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2=1142,1143,
/
#
# 4 LEU QQD 76 MET QE 3.25 (#peak 614)
&rst
ixpk= 614, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1146,1147,1148,
/
#
# 5 THR HA 6 GLU QB 4.83 (#peak 4747)
&rst
ixpk= 4747, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 80, 81,
/
#
# 5 THR HA 6 GLU QG 4.58 (#peak 4748)
&rst
ixpk= 4748, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 83, 84,
/
#
# 5 THR HB 6 GLU QG 4.54 (#peak 1202)
&rst
ixpk= 1202, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 83, 84,
/
#
# 5 THR HB 7 GLU QB 3.62 (#peak 2767)
&rst
ixpk= 2767, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 95, 96,
/
#
# 6 GLU HA 9 ILE QG1 5.37 (#peak 1676)
&rst
ixpk= 1676, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 133, 134,
/
#
# 7 GLU HA 7 GLU QG 2.81 (#peak 4802)
&rst
ixpk= 4802, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2= 98, 99,
/
#
# 7 GLU QG 10 ALA QB 5.12 (#peak 4801)
&rst
ixpk= 4801, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 98, 99,
igr2= 146, 147, 148,
/
#
# 8 GLN HA 8 GLN QG 2.90 (#peak 4776)
&rst
ixpk= 4776, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 113, 114,
/
#
# 8 GLN QG 12 PHE QD 5.58 (#peak 1752)
&rst
ixpk= 1752, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr1= 113, 114,
igr2= 175, 183,
/
#
# 8 GLN QG 12 PHE QE 4.49 (#peak 1751)
&rst
ixpk= 1751, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 113, 114,
igr2= 177, 181,
/
#
# 8 GLN QG 12 PHE HZ 4.87 (#peak 1750)
&rst
ixpk= 1750, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 113, 114,
/
#
# 9 ILE HA 9 ILE QG1 3.05 (#peak 4248)
&rst
ixpk= 4248, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 133, 134,
/
#
# 9 ILE HA 69 LEU QQD 3.72 (#peak 4440)
&rst
ixpk= 4440, nxpk= 0, iat= 125,1018, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, /
#
# 9 ILE QG2 13 LYS QB 3.87 (#peak 2663)
&rst
ixpk= 2663, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 129, 130, 131,
igr2= 191, 192,
/
#
# 9 ILE QG2 13 LYS QE 3.81 (#peak 2395)
&rst
ixpk= 2395, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 129, 130, 131,
igr2= 200, 201,
/
#
# 9 ILE QG2 69 LEU QQD 3.47 (#peak 4482)
&rst
ixpk= 4482, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1= 129, 130, 131,
/
#
# 9 ILE QG1 12 PHE QD 5.20 (#peak 1674)
&rst
ixpk= 1674, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 133, 134,
igr2= 175, 183,
/
#
# 9 ILE QG1 65 PHE QE 5.45 (#peak 1674)
&rst
ixpk= 1674, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 133, 134,
igr2= 953, 957,
/
#
# 9 ILE QG1 65 PHE HZ 4.04 (#peak 3565)
&rst
ixpk= 3565, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 133, 134,
/
#
# 10 ALA HA 13 LYS QB 2.80 (#peak 3349)
&rst
ixpk= 3349, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 191, 192,
/
#
# 10 ALA HA 13 LYS QG 4.11 (#peak 4559)
&rst
ixpk= 4559, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 194, 195,
/
#
# 10 ALA HA 13 LYS QD 4.98 (#peak 865)
&rst
ixpk= 865, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 197, 198,
/
#
# 10 ALA HA 13 LYS QE 4.92 (#peak 2389)
&rst
ixpk= 2389, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 200, 201,
/
#
# 11 GLU HA 11 GLU QG 2.98 (#peak 2712)
&rst
ixpk= 2712, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 159, 160,
/
#
# 11 GLU QG 12 PHE HA 4.87 (#peak 2154)
&rst
ixpk= 2154, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 159, 160,
/
#
# 11 GLU QG 12 PHE QD 4.21 (#peak 897)
&rst
ixpk= 897, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 159, 160,
igr2= 175, 183,
/
#
# 11 GLU QG 15 ALA QB 4.17 (#peak 689)
&rst
ixpk= 689, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 159, 160,
igr2= 228, 229, 230,
/
#
# 11 GLU QG 39 LEU QQD 3.18 (#peak 3902)
&rst
ixpk= 3902, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 159, 160,
/
#
# 12 PHE HA 35 VAL QQG 5.50 (#peak 2222)
&rst
ixpk= 2222, nxpk= 0, iat= 169, 517, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, /
#
# 12 PHE HA 39 LEU QB 6.27 (#peak 1169)
&rst
ixpk= 1169, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2= 586, 587,
/
#
# 12 PHE HA 39 LEU QQD 3.09 (#peak 3907)
&rst
ixpk= 3907, nxpk= 0, iat= 169, 588, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, /
#
# 12 PHE HA 69 LEU QQD 4.41 (#peak 2149)
&rst
ixpk= 2149, nxpk= 0, iat= 169,1018, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, /
#
# 12 PHE HB2 39 LEU QQD 5.59 (#peak 4033)
&rst
ixpk= 4033, nxpk= 0, iat= 171, 588, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29, /
#
# 12 PHE HB2 69 LEU QQD 4.28 (#peak 924)
&rst
ixpk= 924, nxpk= 0, iat= 171,1018, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, /
#
# 12 PHE HB3 39 LEU QQD 4.48 (#peak 920)
&rst
ixpk= 920, nxpk= 0, iat= 172, 588, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, /
#
# 12 PHE HB3 69 LEU QQD 4.24 (#peak 923)
&rst
ixpk= 923, nxpk= 0, iat= 172,1018, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, /
#
# 12 PHE QD 39 LEU QB 4.86 (#peak 1167)
&rst
ixpk= 1167, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 175, 183,
igr2= 586, 587,
/
#
# 12 PHE QD 72 MET QB 4.26 (#peak 1681)
&rst
ixpk= 1681, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 175, 183,
igr2=1066,1067,
/
#
# 12 PHE QD 76 MET QG 5.87 (#peak 1730)
&rst
ixpk= 1730, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 175, 183,
igr2=1142,1143,
/
#
# 12 PHE QE 39 LEU QB 4.96 (#peak 1165)
&rst
ixpk= 1165, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 177, 181,
igr2= 586, 587,
/
#
# 12 PHE QE 39 LEU QQD 3.19 (#peak 3719)
&rst
ixpk= 3719, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 177, 181,
/
#
# 12 PHE QE 69 LEU QQD 3.91 (#peak 3716)
&rst
ixpk= 3716, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 177, 181,
/
#
# 12 PHE QE 72 MET QB 3.78 (#peak 3781)
&rst
ixpk= 3781, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 177, 181,
igr2=1066,1067,
/
#
# 12 PHE QE 76 MET QB 5.41 (#peak 1353)
&rst
ixpk= 1353, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 177, 181,
igr2=1139,1140,
/
#
# 12 PHE QE 76 MET QG 4.36 (#peak 1728)
&rst
ixpk= 1728, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 177, 181,
igr2=1142,1143,
/
#
# 12 PHE HZ 39 LEU QB 6.27 (#peak 1166)
&rst
ixpk= 1166, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2= 586, 587,
/
#
# 12 PHE HZ 39 LEU QQD 5.74 (#peak 4632)
&rst
ixpk= 4632, nxpk= 0, iat= 179, 588, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44, /
#
# 12 PHE HZ 69 LEU QQD 5.64 (#peak 4631)
&rst
ixpk= 4631, nxpk= 0, iat= 179,1018, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34, /
#
# 12 PHE HZ 72 MET QB 4.35 (#peak 3751)
&rst
ixpk= 3751, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1066,1067,
/
#
# 12 PHE HZ 76 MET QB 5.36 (#peak 1735)
&rst
ixpk= 1735, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1139,1140,
/
#
# 12 PHE HZ 76 MET QG 4.29 (#peak 1729)
&rst
ixpk= 1729, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1142,1143,
/
#
# 13 LYS HA 13 LYS QG 3.19 (#peak 4004)
&rst
ixpk= 4004, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 194, 195,
/
#
# 13 LYS HA 13 LYS QD 3.73 (#peak 2625)
&rst
ixpk= 2625, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 197, 198,
/
#
# 13 LYS HA 13 LYS QE 4.08 (#peak 2391)
&rst
ixpk= 2391, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 200, 201,
/
#
# 13 LYS HA 69 LEU QQD 4.92 (#peak 4439)
&rst
ixpk= 4439, nxpk= 0, iat= 189,1018, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, /
#
# 13 LYS QB 13 LYS QD 3.17 (#peak 3291)
&rst
ixpk= 3291, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 191, 192,
igr2= 197, 198,
/
#
# 13 LYS QB 13 LYS QE 3.59 (#peak 2397)
&rst
ixpk= 2397, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 191, 192,
igr2= 200, 201,
/
#
# 13 LYS QB 65 PHE QD 5.14 (#peak 1715)
&rst
ixpk= 1715, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 191, 192,
igr2= 951, 959,
/
#
# 13 LYS QB 65 PHE QE 3.72 (#peak 1719)
&rst
ixpk= 1719, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 191, 192,
igr2= 953, 957,
/
#
# 13 LYS QB 65 PHE HZ 3.68 (#peak 1718)
&rst
ixpk= 1718, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 191, 192,
/
#
# 13 LYS QG 13 LYS QE 3.25 (#peak 2388)
&rst
ixpk= 2388, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 194, 195,
igr2= 200, 201,
/
#
# 13 LYS QG 16 PHE HB3 6.27 (#peak 4683)
&rst
ixpk= 4683, nxpk= 0, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 194, 195,
/
#
# 13 LYS QG 65 PHE HZ 4.52 (#peak 3548)
&rst
ixpk= 3548, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 194, 195,
/
#
# 13 LYS QD 65 PHE QE 4.30 (#peak 870)
&rst
ixpk= 870, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 197, 198,
igr2= 953, 957,
/
#
# 13 LYS QD 65 PHE HZ 4.82 (#peak 871)
&rst
ixpk= 871, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 197, 198,
/
#
# 13 LYS QE 65 PHE QD 4.82 (#peak 3583)
&rst
ixpk= 3583, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 200, 201,
igr2= 951, 959,
/
#
# 13 LYS QE 65 PHE QE 3.92 (#peak 1883)
&rst
ixpk= 1883, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 200, 201,
igr2= 953, 957,
/
#
# 13 LYS QE 65 PHE HZ 4.45 (#peak 1884)
&rst
ixpk= 1884, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 200, 201,
/
#
# 14 GLU HA 14 GLU QB 2.48 (#peak 4461)
&rst
ixpk= 4461, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,
igr2= 213, 214,
/
#
# 15 ALA HA 18 LEU QQD 3.35 (#peak 2697)
&rst
ixpk= 2697, nxpk= 0, iat= 226, 271, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, /
#
# 15 ALA HA 35 VAL QQG 4.73 (#peak 2700)
&rst
ixpk= 2700, nxpk= 0, iat= 226, 517, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, /
#
# 15 ALA HA 39 LEU QQD 4.26 (#peak 2696)
&rst
ixpk= 2696, nxpk= 0, iat= 226, 588, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, /
#
# 15 ALA QB 18 LEU QQD 4.52 (#peak 693)
&rst
ixpk= 693, nxpk= 0, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 228, 229, 230,
/
#
# 15 ALA QB 35 VAL QQG 3.14 (#peak 694)
&rst
ixpk= 694, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 228, 229, 230,
/
#
# 15 ALA QB 38 SER QB 4.23 (#peak 4804)
&rst
ixpk= 4804, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 228, 229, 230,
igr2= 575, 576,
/
#
# 15 ALA QB 39 LEU QQD 2.50 (#peak 691)
&rst
ixpk= 691, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 228, 229, 230,
/
#
# 16 PHE HA 39 LEU QQD 5.93 (#peak 4033)
&rst
ixpk= 4033, nxpk= 0, iat= 236, 588, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63, /
#
# 16 PHE HB2 35 VAL QQG 3.99 (#peak 2227)
&rst
ixpk= 2227, nxpk= 0, iat= 238, 517, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, /
#
# 16 PHE HB2 69 LEU QQD 5.21 (#peak 3)
&rst
ixpk= 3, nxpk= 0, iat= 238,1018, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, /
#
# 16 PHE HB3 17 SER QB 5.42 (#peak 4680)
&rst
ixpk= 4680, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 258, 259,
/
#
# 16 PHE HB3 35 VAL QQG 5.08 (#peak 4)
&rst
ixpk= 4, nxpk= 0, iat= 239, 517, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, /
#
# 16 PHE HB3 69 LEU QQD 5.77 (#peak 4)
&rst
ixpk= 4, nxpk= 0, iat= 239,1018, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47, /
#
# 16 PHE QD 17 SER QB 4.17 (#peak 3590)
&rst
ixpk= 3590, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 242, 250,
igr2= 258, 259,
/
#
# 16 PHE QD 27 ILE QG1 4.76 (#peak 818)
&rst
ixpk= 818, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 242, 250,
igr2= 400, 401,
/
#
# 16 PHE QD 32 LEU QQD 5.94 (#peak 797)
&rst
ixpk= 797, nxpk= 0, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
igr1= 242, 250,
/
#
# 16 PHE QD 35 VAL QQG 3.54 (#peak 760)
&rst
ixpk= 760, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 242, 250,
/
#
# 16 PHE QD 39 LEU QQD 5.55 (#peak 840)
&rst
ixpk= 840, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 242, 250,
/
#
# 16 PHE QE 27 ILE QG1 3.32 (#peak 3387)
&rst
ixpk= 3387, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 244, 248,
igr2= 400, 401,
/
#
# 16 PHE QE 35 VAL QQG 4.83 (#peak 769)
&rst
ixpk= 769, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,
igr1= 244, 248,
/
#
# 16 PHE HZ 27 ILE QG1 3.92 (#peak 3538)
&rst
ixpk= 3538, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 400, 401,
/
#
# 17 SER HA 17 SER QB 2.52 (#peak 3968)
&rst
ixpk= 3968, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,
igr2= 258, 259,
/
#
# 17 SER HA 35 VAL QQG 6.40 (#peak 774)
&rst
ixpk= 774, nxpk= 0, iat= 256, 517, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10, /
#
# 17 SER QB 20 ASP HB2 4.48 (#peak 2350)
&rst
ixpk= 2350, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 258, 259,
/
#
# 17 SER QB 20 ASP HB3 4.15 (#peak 4827)
&rst
ixpk= 4827, nxpk= 0, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 258, 259,
/
#
# 18 LEU HA 18 LEU QQD 2.67 (#peak 3992)
&rst
ixpk= 3992, nxpk= 0, iat= 267, 271, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, /
#
# 18 LEU HB2 18 LEU QQD 2.90 (#peak 4565)
&rst
ixpk= 4565, nxpk= 0, iat= 269, 271, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, /
#
# 18 LEU HB3 35 VAL QQG 5.11 (#peak 3286)
&rst
ixpk= 3286, nxpk= 0, iat= 270, 517, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81, /
#
# 18 LEU QQD 19 PHE QD 4.17 (#peak 3768)
&rst
ixpk= 3768, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr2= 292, 300,
/
#
# 18 LEU QQD 19 PHE QE 3.49 (#peak 815)
&rst
ixpk= 815, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 294, 298,
/
#
# 18 LEU QQD 19 PHE HZ 4.17 (#peak 3750)
&rst
ixpk= 3750, nxpk= 0, iat= 271, 296, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, /
#
# 19 PHE H 35 VAL QQG 6.11 (#peak 2235)
&rst
ixpk= 2235, nxpk= 0, iat= 284, 517, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81, /
#
# 19 PHE HA 35 VAL QQG 4.73 (#peak 773)
&rst
ixpk= 773, nxpk= 0, iat= 286, 517, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, /
#
# 19 PHE HB2 27 ILE QG1 5.99 (#peak 4679)
&rst
ixpk= 4679, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr2= 400, 401,
/
#
# 19 PHE HB2 35 VAL QQG 3.78 (#peak 783)
&rst
ixpk= 783, nxpk= 0, iat= 288, 517, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, /
#
# 19 PHE HB3 31 GLU QG 4.78 (#peak 942)
&rst
ixpk= 942, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 466, 467,
/
#
# 19 PHE HB3 35 VAL QQG 3.71 (#peak 779)
&rst
ixpk= 779, nxpk= 0, iat= 289, 517, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, /
#
# 19 PHE QD 31 GLU QB 4.41 (#peak 948)
&rst
ixpk= 948, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 292, 300,
igr2= 463, 464,
/
#
# 19 PHE QD 31 GLU QG 3.88 (#peak 943)
&rst
ixpk= 943, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 292, 300,
igr2= 466, 467,
/
#
# 19 PHE QD 35 VAL QQG 2.84 (#peak 765)
&rst
ixpk= 765, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 292, 300,
/
#
# 19 PHE QD 38 SER QB 5.65 (#peak 4615)
&rst
ixpk= 4615, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 292, 300,
igr2= 575, 576,
/
#
# 19 PHE QE 35 VAL QQG 3.34 (#peak 3741)
&rst
ixpk= 3741, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 294, 298,
/
#
# 19 PHE QE 38 SER QB 3.79 (#peak 1288)
&rst
ixpk= 1288, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 294, 298,
igr2= 575, 576,
/
#
# 19 PHE HZ 35 VAL QQG 4.27 (#peak 766)
&rst
ixpk= 766, nxpk= 0, iat= 296, 517, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, /
#
# 19 PHE HZ 38 SER QB 4.13 (#peak 1289)
&rst
ixpk= 1289, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 575, 576,
/
#
# 20 ASP HA 21 LYS QG 4.95 (#peak 4124)
&rst
ixpk= 4124, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 323, 324,
/
#
# 20 ASP HA 27 ILE QG1 6.11 (#peak 2073)
&rst
ixpk= 2073, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2= 400, 401,
/
#
# 20 ASP HA 35 VAL QQG 6.40 (#peak 2072)
&rst
ixpk= 2072, nxpk= 0, iat= 306, 517, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10, /
#
# 21 LYS HA 21 LYS QB 2.45 (#peak 2805)
&rst
ixpk= 2805, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,
igr2= 320, 321,
/
#
# 21 LYS HA 21 LYS QE 4.47 (#peak 2718)
&rst
ixpk= 2718, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 329, 330,
/
#
# 21 LYS QB 21 LYS QE 3.26 (#peak 3007)
&rst
ixpk= 3007, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 320, 321,
igr2= 329, 330,
/
#
# 21 LYS QG 22 ASP HA 4.31 (#peak 2690)
&rst
ixpk= 2690, nxpk= 0, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 323, 324,
/
#
# 21 LYS QG 27 ILE QG2 6.27 (#peak 407)
&rst
ixpk= 407, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95,
igr1= 323, 324,
igr2= 396, 397, 398,
/
#
# 26 THR HA 27 ILE QG1 5.30 (#peak 226)
&rst
ixpk= 226, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 400, 401,
/
#
# 27 ILE HA 27 ILE QG1 3.74 (#peak 2585)
&rst
ixpk= 2585, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 400, 401,
/
#
# 27 ILE HA 31 GLU QG 5.73 (#peak 940)
&rst
ixpk= 940, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 466, 467,
/
#
# 27 ILE HA 35 VAL QQG 5.74 (#peak 771)
&rst
ixpk= 771, nxpk= 0, iat= 392, 517, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44, /
#
# 27 ILE HB 35 VAL QQG 4.06 (#peak 786)
&rst
ixpk= 786, nxpk= 0, iat= 394, 517, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, /
#
# 27 ILE QG2 27 ILE QG1 3.06 (#peak 384)
&rst
ixpk= 384, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 396, 397, 398,
igr2= 400, 401,
/
#
# 27 ILE QG2 31 GLU QB 3.80 (#peak 388)
&rst
ixpk= 388, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 396, 397, 398,
igr2= 463, 464,
/
#
# 27 ILE QG2 31 GLU QG 4.78 (#peak 936)
&rst
ixpk= 936, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 396, 397, 398,
igr2= 466, 467,
/
#
# 27 ILE QG2 35 VAL QQG 3.33 (#peak 790)
&rst
ixpk= 790, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 396, 397, 398,
/
#
# 27 ILE QG1 64 ASP HA 6.27 (#peak 1485)
&rst
ixpk= 1485, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 400, 401,
/
#
# 27 ILE QD1 31 GLU QB 3.32 (#peak 555)
&rst
ixpk= 555, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 403, 404, 405,
igr2= 463, 464,
/
#
# 27 ILE QD1 31 GLU QG 4.89 (#peak 554)
&rst
ixpk= 554, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 403, 404, 405,
igr2= 466, 467,
/
#
# 27 ILE QD1 32 LEU QQD 3.23 (#peak 3599)
&rst
ixpk= 3599, nxpk= 0, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 403, 404, 405,
/
#
# 27 ILE QD1 35 VAL QQG 2.83 (#peak 789)
&rst
ixpk= 789, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 403, 404, 405,
/
#
# 28 THR HA 30 LYS QB 6.10 (#peak 2182)
&rst
ixpk= 2182, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2= 441, 442,
/
#
# 28 THR HA 30 LYS QG 5.87 (#peak 2179)
&rst
ixpk= 2179, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 444, 445,
/
#
# 28 THR HA 31 GLU QG 6.27 (#peak 2184)
&rst
ixpk= 2184, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2= 466, 467,
/
#
# 28 THR HA 61 GLY QA 5.16 (#peak 1550)
&rst
ixpk= 1550, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 893, 894,
/
#
# 28 THR HB 30 LYS QB 4.11 (#peak 4181)
&rst
ixpk= 4181, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 441, 442,
/
#
# 28 THR HB 30 LYS QG 4.24 (#peak 4179)
&rst
ixpk= 4179, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 444, 445,
/
#
# 28 THR HB 30 LYS QD 6.27 (#peak 4180)
&rst
ixpk= 4180, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2= 447, 448,
/
#
# 28 THR HB 31 GLU QG 5.80 (#peak 941)
&rst
ixpk= 941, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 466, 467,
/
#
# 28 THR QG2 31 GLU QG 4.66 (#peak 937)
&rst
ixpk= 937, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 415, 416, 417,
igr2= 466, 467,
/
#
# 29 THR HA 32 LEU QQD 3.92 (#peak 4051)
&rst
ixpk= 4051, nxpk= 0, iat= 425, 480, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, /
#
# 29 THR HA 52 ILE QG1 5.87 (#peak 4652)
&rst
ixpk= 4652, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 782, 783,
/
#
# 29 THR HB 32 LEU QQD 4.58 (#peak 4542)
&rst
ixpk= 4542, nxpk= 0, iat= 427, 480, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, /
#
# 29 THR HB 52 ILE QG1 3.79 (#peak 4757)
&rst
ixpk= 4757, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 782, 783,
/
#
# 29 THR QG2 61 GLY QA 3.14 (#peak 4001)
&rst
ixpk= 4001, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 429, 430, 431,
igr2= 893, 894,
/
#
# 30 LYS HA 30 LYS QG 3.44 (#peak 2914)
&rst
ixpk= 2914, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 444, 445,
/
#
# 31 GLU HA 31 GLU QG 3.55 (#peak 2915)
&rst
ixpk= 2915, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 466, 467,
/
#
# 31 GLU HA 35 VAL QQG 4.39 (#peak 772)
&rst
ixpk= 772, nxpk= 0, iat= 461, 517, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, /
#
# 31 GLU QB 34 THR HB 3.83 (#peak 1215)
&rst
ixpk= 1215, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 463, 464,
/
#
# 31 GLU QB 35 VAL QQG 3.76 (#peak 4501)
&rst
ixpk= 4501, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 463, 464,
/
#
# 31 GLU QG 34 THR HB 4.82 (#peak 1216)
&rst
ixpk= 1216, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 466, 467,
/
#
# 31 GLU QG 35 VAL QQG 4.75 (#peak 935)
&rst
ixpk= 935, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 466, 467,
/
#
# 32 LEU H 35 VAL QQG 6.40 (#peak 2235)
&rst
ixpk= 2235, nxpk= 0, iat= 474, 517, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10, /
#
# 32 LEU HA 32 LEU QQD 2.90 (#peak 165)
&rst
ixpk= 165, nxpk= 0, iat= 476, 480, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, /
#
# 32 LEU HA 35 VAL QQG 3.41 (#peak 163)
&rst
ixpk= 163, nxpk= 0, iat= 476, 517, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, /
#
# 32 LEU HB2 35 VAL QQG 5.39 (#peak 4502)
&rst
ixpk= 4502, nxpk= 0, iat= 478, 517, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09, /
#
# 32 LEU QQD 33 GLY HA2 5.01 (#peak 1112)
&rst
ixpk= 1112, nxpk= 0, iat= 480, 495, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, /
#
# 32 LEU QQD 33 GLY HA3 5.26 (#peak 1113)
&rst
ixpk= 1113, nxpk= 0, iat= 480, 496, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96, /
#
# 32 LEU QQD 36 MET HG2 3.99 (#peak 2478)
&rst
ixpk= 2478, nxpk= 0, iat= 480, 537, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, /
#
# 32 LEU QQD 36 MET HG3 3.69 (#peak 3601)
&rst
ixpk= 3601, nxpk= 0, iat= 480, 538, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, /
#
# 32 LEU QQD 48 LEU HA 4.28 (#peak 4052)
&rst
ixpk= 4052, nxpk= 0, iat= 480, 709, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, /
#
# 32 LEU QQD 51 MET HB2 3.69 (#peak 1608)
&rst
ixpk= 1608, nxpk= 0, iat= 480, 759, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, /
#
# 32 LEU QQD 51 MET HB3 4.25 (#peak 2838)
&rst
ixpk= 2838, nxpk= 0, iat= 480, 760, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, /
#
# 32 LEU QQD 51 MET QG 5.75 (#peak 2869)
&rst
ixpk= 2869, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 762, 763,
/
#
# 32 LEU QQD 51 MET QE 3.51 (#peak 1566)
&rst
ixpk= 1566, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2= 766, 767, 768,
/
#
# 32 LEU QQD 52 ILE QG1 3.64 (#peak 2318)
&rst
ixpk= 2318, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 782, 783,
/
#
# 32 LEU QQD 68 PHE QD 3.22 (#peak 796)
&rst
ixpk= 796, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1000,1008,
/
#
# 32 LEU QQD 68 PHE QE 3.26 (#peak 794)
&rst
ixpk= 794, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1002,1006,
/
#
# 32 LEU QQD 71 MET QE 3.24 (#peak 1581)
&rst
ixpk= 1581, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1056,1057,1058,
/
#
# 33 GLY HA2 43 PRO QG 4.14 (#peak 1099)
&rst
ixpk= 1099, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 643, 644,
/
#
# 33 GLY HA3 43 PRO QB 5.07 (#peak 2884)
&rst
ixpk= 2884, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 646, 647,
/
#
# 33 GLY HA3 43 PRO QG 4.21 (#peak 1102)
&rst
ixpk= 1102, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 643, 644,
/
#
# 33 GLY HA3 48 LEU QB 6.27 (#peak 1107)
&rst
ixpk= 1107, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2= 711, 712,
/
#
# 33 GLY HA3 48 LEU QQD 2.99 (#peak 4023)
&rst
ixpk= 4023, nxpk= 0, iat= 496, 713, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, /
#
# 34 THR HA 37 ARG QD 4.23 (#peak 1256)
&rst
ixpk= 1256, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 557, 558,
/
#
# 34 THR HB 35 VAL QQG 3.83 (#peak 776)
&rst
ixpk= 776, nxpk= 0, iat= 504, 517, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, /
#
# 34 THR QG2 35 VAL QQG 4.02 (#peak 4488)
&rst
ixpk= 4488, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr1= 506, 507, 508,
/
#
# 34 THR QG2 37 ARG QD 5.70 (#peak 4499)
&rst
ixpk= 4499, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr1= 506, 507, 508,
igr2= 557, 558,
/
#
# 35 VAL HA 35 VAL QQG 2.73 (#peak 2749)
&rst
ixpk= 2749, nxpk= 0, iat= 516, 517, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, /
#
# 35 VAL HA 38 SER QB 3.51 (#peak 2756)
&rst
ixpk= 2756, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 575, 576,
/
#
# 35 VAL QQG 36 MET HA 3.86 (#peak 2225)
&rst
ixpk= 2225, nxpk= 0, iat= 517, 532, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, /
#
# 35 VAL QQG 36 MET HG2 5.73 (#peak 782)
&rst
ixpk= 782, nxpk= 0, iat= 517, 537, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, /
#
# 35 VAL QQG 36 MET HG3 4.24 (#peak 2228)
&rst
ixpk= 2228, nxpk= 0, iat= 517, 538, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, /
#
# 35 VAL QQG 38 SER QB 4.78 (#peak 775)
&rst
ixpk= 775, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2= 575, 576,
/
#
# 35 VAL QQG 39 LEU QB 5.69 (#peak 1172)
&rst
ixpk= 1172, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 8.59, r4= 9.09,
igr2= 586, 587,
/
#
# 35 VAL QQG 39 LEU QQD 3.36 (#peak 4030)
&rst
ixpk= 4030, nxpk= 0, iat= 517, 588, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26, /
#
# 35 VAL QQG 68 PHE HB2 6.01 (#peak 4674)
&rst
ixpk= 4674, nxpk= 0, iat= 517, 996, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71, /
#
# 35 VAL QQG 68 PHE QE 3.40 (#peak 2236)
&rst
ixpk= 2236, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1002,1006,
/
#
# 35 VAL QQG 68 PHE HZ 3.42 (#peak 2237)
&rst
ixpk= 2237, nxpk= 0, iat= 517,1004, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, /
#
# 35 VAL QQG 72 MET QE 5.15 (#peak 3102)
&rst
ixpk= 3102, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
igr2=1073,1074,1075,
/
#
# 36 MET HA 39 LEU QB 4.43 (#peak 1171)
&rst
ixpk= 1171, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 586, 587,
/
#
# 36 MET HA 39 LEU QQD 3.41 (#peak 2890)
&rst
ixpk= 2890, nxpk= 0, iat= 532, 588, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, /
#
# 36 MET HG2 48 LEU QQD 5.02 (#peak 4509)
&rst
ixpk= 4509, nxpk= 0, iat= 537, 713, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72, /
#
# 36 MET HG3 43 PRO QG 5.62 (#peak 2488)
&rst
ixpk= 2488, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2= 643, 644,
/
#
# 36 MET HG3 48 LEU QQD 4.16 (#peak 1128)
&rst
ixpk= 1128, nxpk= 0, iat= 538, 713, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, /
#
# 36 MET QE 48 LEU QQD 3.70 (#peak 4513)
&rst
ixpk= 4513, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 541, 542, 543,
/
#
# 36 MET QE 75 LYS QE 3.48 (#peak 3118)
&rst
ixpk= 3118, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 541, 542, 543,
igr2=1126,1127,
/
#
# 37 ARG HA 37 ARG QG 3.31 (#peak 2612)
&rst
ixpk= 2612, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 554, 555,
/
#
# 37 ARG HA 42 ASN QB 4.71 (#peak 1369)
&rst
ixpk= 1369, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 629, 630,
/
#
# 37 ARG HB2 37 ARG QD 3.31 (#peak 2547)
&rst
ixpk= 2547, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 557, 558,
/
#
# 37 ARG HB2 42 ASN QB 5.30 (#peak 1367)
&rst
ixpk= 1367, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 629, 630,
/
#
# 37 ARG QG 42 ASN HA 3.83 (#peak 3324)
&rst
ixpk= 3324, nxpk= 0, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 554, 555,
/
#
# 37 ARG QG 42 ASN QB 4.51 (#peak 1368)
&rst
ixpk= 1368, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 554, 555,
igr2= 629, 630,
/
#
# 37 ARG QG 43 PRO HD2 3.94 (#peak 2315)
&rst
ixpk= 2315, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 554, 555,
/
#
# 37 ARG QD 42 ASN HA 4.19 (#peak 882)
&rst
ixpk= 882, nxpk= 0, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 557, 558,
/
#
# 37 ARG QD 42 ASN QB 3.92 (#peak 1365)
&rst
ixpk= 1365, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 557, 558,
igr2= 629, 630,
/
#
# 38 SER HA 38 SER QB 2.52 (#peak 2160)
&rst
ixpk= 2160, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,
igr2= 575, 576,
/
#
# 39 LEU HA 39 LEU QQD 2.82 (#peak 3465)
&rst
ixpk= 3465, nxpk= 0, iat= 584, 588, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, /
#
# 39 LEU QB 68 PHE HZ 5.67 (#peak 1168)
&rst
ixpk= 1168, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 586, 587,
/
#
# 39 LEU QB 72 MET QE 3.27 (#peak 3105)
&rst
ixpk= 3105, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 586, 587,
igr2=1073,1074,1075,
/
#
# 39 LEU QQD 68 PHE HZ 3.32 (#peak 150)
&rst
ixpk= 150, nxpk= 0, iat= 588,1004, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, /
#
# 39 LEU QQD 72 MET QE 2.94 (#peak 3101)
&rst
ixpk= 3101, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1073,1074,1075,
/
#
# 41 GLN HA 41 GLN QG 3.38 (#peak 450)
&rst
ixpk= 450, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 615, 616,
/
#
# 41 GLN HA 42 ASN QB 4.29 (#peak 1371)
&rst
ixpk= 1371, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 629, 630,
/
#
# 41 GLN QB 42 ASN HA 5.21 (#peak 3325)
&rst
ixpk= 3325, nxpk= 0, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 612, 613,
/
#
# 41 GLN QB 42 ASN QB 6.04 (#peak 502)
&rst
ixpk= 502, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 612, 613,
igr2= 629, 630,
/
#
# 41 GLN QB 43 PRO HA 6.00 (#peak 4744)
&rst
ixpk= 4744, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 612, 613,
/
#
# 41 GLN QB 43 PRO HD2 5.24 (#peak 312)
&rst
ixpk= 312, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 612, 613,
/
#
# 41 GLN QB 43 PRO HD3 4.25 (#peak 311)
&rst
ixpk= 311, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 612, 613,
/
#
# 41 GLN QG 42 ASN HA 5.49 (#peak 3320)
&rst
ixpk= 3320, nxpk= 0, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 615, 616,
/
#
# 41 GLN QG 43 PRO HD2 5.57 (#peak 310)
&rst
ixpk= 310, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 615, 616,
/
#
# 41 GLN QG 43 PRO HD3 4.44 (#peak 303)
&rst
ixpk= 303, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 615, 616,
/
#
# 41 GLN QG 72 MET QE 4.20 (#peak 2897)
&rst
ixpk= 2897, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 615, 616,
igr2=1073,1074,1075,
/
#
# 42 ASN HA 43 PRO QB 5.42 (#peak 1500)
&rst
ixpk= 1500, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 646, 647,
/
#
# 42 ASN HA 43 PRO QG 4.12 (#peak 1496)
&rst
ixpk= 1496, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 643, 644,
/
#
# 42 ASN QB 43 PRO HD2 4.13 (#peak 1364)
&rst
ixpk= 1364, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 629, 630,
/
#
# 42 ASN QB 43 PRO HD3 5.31 (#peak 300)
&rst
ixpk= 300, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 629, 630,
/
#
# 43 PRO HA 47 GLU QB 4.18 (#peak 3333)
&rst
ixpk= 3333, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 696, 697,
/
#
# 43 PRO HA 48 LEU QQD 4.49 (#peak 4550)
&rst
ixpk= 4550, nxpk= 0, iat= 649, 713, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, /
#
# 43 PRO HA 75 LYS QE 5.07 (#peak 3336)
&rst
ixpk= 3336, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1126,1127,
/
#
# 43 PRO QB 48 LEU QQD 2.89 (#peak 4161)
&rst
ixpk= 4161, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 646, 647,
/
#
# 43 PRO HB3 48 LEU QD2 5.17 (#peak 4161)
&rst
ixpk= 4161, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 720, 721, 722,
/
#
# 43 PRO QG 48 LEU QQD 3.45 (#peak 4161)
&rst
ixpk= 4161, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 643, 644,
/
#
# 43 PRO HD2 48 LEU QQD 5.10 (#peak 313)
&rst
ixpk= 313, nxpk= 0, iat= 640, 713, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, /
#
# 43 PRO HD3 48 LEU QQD 4.47 (#peak 295)
&rst
ixpk= 295, nxpk= 0, iat= 641, 713, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, /
#
# 44 THR HA 48 LEU QQD 4.96 (#peak 4543)
&rst
ixpk= 4543, nxpk= 0, iat= 655, 713, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, /
#
# 44 THR HB 47 GLU QB 4.21 (#peak 1673)
&rst
ixpk= 1673, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 696, 697,
/
#
# 45 GLU HA 45 GLU QB 2.61 (#peak 4329)
&rst
ixpk= 4329, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
igr2= 671, 672,
/
#
# 45 GLU HA 48 LEU QQD 3.08 (#peak 4163)
&rst
ixpk= 4163, nxpk= 0, iat= 669, 713, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, /
#
# 47 GLU HA 47 GLU QG 3.16 (#peak 4802)
&rst
ixpk= 4802, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 699, 700,
/
#
# 47 GLU HA 50 ASP QB 3.44 (#peak 2528)
&rst
ixpk= 2528, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 747, 748,
/
#
# 48 LEU HA 48 LEU QQD 2.82 (#peak 4348)
&rst
ixpk= 4348, nxpk= 0, iat= 709, 713, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, /
#
# 48 LEU HA 51 MET QG 3.76 (#peak 362)
&rst
ixpk= 362, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 762, 763,
/
#
# 48 LEU QB 48 LEU QQD 2.49 (#peak 171)
&rst
ixpk= 171, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 711, 712,
/
#
# 48 LEU QB 51 MET QE 5.03 (#peak 3153)
&rst
ixpk= 3153, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 711, 712,
igr2= 766, 767, 768,
/
#
# 48 LEU QQD 51 MET HB2 4.25 (#peak 4508)
&rst
ixpk= 4508, nxpk= 0, iat= 713, 759, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, /
#
# 48 LEU QQD 51 MET QG 4.66 (#peak 3343)
&rst
ixpk= 3343, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr2= 762, 763,
/
#
# 48 LEU QQD 51 MET QE 3.00 (#peak 4511)
&rst
ixpk= 4511, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 766, 767, 768,
/
#
# 49 GLN HA 49 GLN QG 3.05 (#peak 4132)
&rst
ixpk= 4132, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 733, 734,
/
#
# 49 GLN HA 52 ILE QG1 5.28 (#peak 4651)
&rst
ixpk= 4651, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 782, 783,
/
#
# 49 GLN HA 53 ASN QB 5.60 (#peak 4072)
&rst
ixpk= 4072, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 795, 796,
/
#
# 49 GLN QG 50 ASP HA 4.38 (#peak 4356)
&rst
ixpk= 4356, nxpk= 0, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 733, 734,
/
#
# 49 GLN QG 52 ILE HB 4.35 (#peak 4056)
&rst
ixpk= 4056, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 733, 734,
/
#
# 49 GLN QG 53 ASN HA 5.52 (#peak 4737)
&rst
ixpk= 4737, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 733, 734,
/
#
# 51 MET HA 51 MET QG 3.01 (#peak 4331)
&rst
ixpk= 4331, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 762, 763,
/
#
# 51 MET QE 75 LYS QG 3.71 (#peak 1564)
&rst
ixpk= 1564, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 766, 767, 768,
igr2=1120,1121,
/
#
# 51 MET QE 75 LYS QD 5.42 (#peak 3153)
&rst
ixpk= 3153, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 766, 767, 768,
igr2=1123,1124,
/
#
# 51 MET QE 75 LYS QE 4.06 (#peak 3149)
&rst
ixpk= 3149, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 766, 767, 768,
igr2=1126,1127,
/
#
# 52 ILE HA 52 ILE QG1 3.18 (#peak 4258)
&rst
ixpk= 4258, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 782, 783,
/
#
# 52 ILE HB 53 ASN QB 5.14 (#peak 2139)
&rst
ixpk= 2139, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 795, 796,
/
#
# 52 ILE QG2 53 ASN QB 5.07 (#peak 2120)
&rst
ixpk= 2120, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 778, 779, 780,
igr2= 795, 796,
/
#
# 53 ASN QB 54 GLU HA 4.91 (#peak 2124)
&rst
ixpk= 2124, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 795, 796,
/
#
# 53 ASN QB 57 ALA QB 5.59 (#peak 3258)
&rst
ixpk= 3258, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 795, 796,
igr2= 852, 853, 854,
/
#
# 54 GLU HA 54 GLU QB 2.59 (#peak 1041)
&rst
ixpk= 1041, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
igr2= 809, 810,
/
#
# 54 GLU HA 54 GLU QG 2.83 (#peak 4079)
&rst
ixpk= 4079, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 812, 813,
/
#
# 55 VAL HA 55 VAL QQG 2.64 (#peak 3517)
&rst
ixpk= 3517, nxpk= 0, iat= 822, 823, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, /
#
# 55 VAL QQG 56 ASP HA 4.08 (#peak 4392)
&rst
ixpk= 4392, nxpk= 0, iat= 823, 838, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, /
#
# 55 VAL QQG 56 ASP HB2 3.59 (#peak 3951)
&rst
ixpk= 3951, nxpk= 0, iat= 823, 840, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, /
#
# 55 VAL QQG 56 ASP HB3 4.40 (#peak 4425)
&rst
ixpk= 4425, nxpk= 0, iat= 823, 841, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, /
#
# 55 VAL QQG 63 ILE HA 4.34 (#peak 221)
&rst
ixpk= 221, nxpk= 0, iat= 823, 914, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, /
#
# 55 VAL QQG 67 GLU HB3 4.64 (#peak 952)
&rst
ixpk= 952, nxpk= 0, iat= 823, 982, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34, /
#
# 55 VAL QQG 67 GLU HG3 3.55 (#peak 4225)
&rst
ixpk= 4225, nxpk= 0, iat= 823, 985, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, /
#
# 55 VAL QQG 70 THR HB 4.76 (#peak 4233)
&rst
ixpk= 4233, nxpk= 0, iat= 823,1035, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46, /
#
# 55 VAL QQG 71 MET QE 2.67 (#peak 1580)
&rst
ixpk= 1580, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1056,1057,1058,
/
#
# 56 ASP HA 61 GLY QA 6.27 (#peak 1551)
&rst
ixpk= 1551, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2= 893, 894,
/
#
# 57 ALA QB 58 ASP QB 4.49 (#peak 3257)
&rst
ixpk= 3257, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 852, 853, 854,
igr2= 862, 863,
/
#
# 60 ASN HA 60 ASN QB 2.60 (#peak 3527)
&rst
ixpk= 3527, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 881, 882,
/
#
# 61 GLY QA 62 THR HA 4.83 (#peak 1337)
&rst
ixpk= 1337, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 893, 894,
/
#
# 61 GLY QA 62 THR QG2 4.38 (#peak 1556)
&rst
ixpk= 1556, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 893, 894,
igr2= 904, 905, 906,
/
#
# 65 PHE HB3 66 PRO QG 5.87 (#peak 4077)
&rst
ixpk= 4077, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 967, 968,
/
#
# 65 PHE QD 66 PRO QG 4.46 (#peak 3582)
&rst
ixpk= 3582, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 951, 959,
igr2= 967, 968,
/
#
# 65 PHE QD 69 LEU QQD 3.68 (#peak 807)
&rst
ixpk= 807, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 951, 959,
/
#
# 65 PHE QE 69 LEU QQD 3.14 (#peak 805)
&rst
ixpk= 805, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 953, 957,
/
#
# 65 PHE HZ 69 LEU QQD 3.50 (#peak 826)
&rst
ixpk= 826, nxpk= 0, iat= 955,1018, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, /
#
# 66 PRO HA 69 LEU QQD 3.34 (#peak 4022)
&rst
ixpk= 4022, nxpk= 0, iat= 973,1018, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, /
#
# 66 PRO HB2 69 LEU QQD 5.16 (#peak 1489)
&rst
ixpk= 1489, nxpk= 0, iat= 970,1018, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86, /
#
# 68 PHE HB2 69 LEU QQD 6.28 (#peak 4674)
&rst
ixpk= 4674, nxpk= 0, iat= 996,1018, r1= 1.30, r2= 1.80, r3= 8.48, r4= 8.98, /
#
# 68 PHE HB3 69 LEU QQD 4.78 (#peak 4673)
&rst
ixpk= 4673, nxpk= 0, iat= 997,1018, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, /
#
# 68 PHE QD 69 LEU QQD 3.64 (#peak 3388)
&rst
ixpk= 3388, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1000,1008,
/
#
# 68 PHE QD 72 MET QB 5.55 (#peak 1686)
&rst
ixpk= 1686, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1000,1008,
igr2=1066,1067,
/
#
# 68 PHE QE 69 LEU QQD 4.86 (#peak 4593)
&rst
ixpk= 4593, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr1=1002,1006,
/
#
# 68 PHE HZ 72 MET QB 5.33 (#peak 1682)
&rst
ixpk= 1682, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1066,1067,
/
#
# 69 LEU HA 69 LEU QQD 2.93 (#peak 4003)
&rst
ixpk= 4003, nxpk= 0, iat=1014,1018, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, /
#
# 69 LEU HA 72 MET QB 3.57 (#peak 2603)
&rst
ixpk= 2603, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1066,1067,
/
#
# 69 LEU HB2 69 LEU QQD 2.94 (#peak 4564)
&rst
ixpk= 4564, nxpk= 0, iat=1016,1018, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, /
#
# 69 LEU QQD 72 MET QE 5.46 (#peak 3102)
&rst
ixpk= 3102, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2=1073,1074,1075,
/
#
# 72 MET HA 75 LYS QB 3.31 (#peak 4170)
&rst
ixpk= 4170, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1117,1118,
/
#
# 72 MET HA 76 MET QG 4.42 (#peak 1774)
&rst
ixpk= 1774, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1142,1143,
/
#
# 72 MET QB 76 MET QE 4.53 (#peak 3116)
&rst
ixpk= 3116, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1066,1067,
igr2=1146,1147,1148,
/
#
# 72 MET QE 75 LYS QE 6.27 (#peak 4027)
&rst
ixpk= 4027, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95,
igr1=1073,1074,1075,
igr2=1126,1127,
/
#
# 72 MET QE 76 MET QG 3.83 (#peak 1783)
&rst
ixpk= 1783, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1073,1074,1075,
igr2=1142,1143,
/
#
# 73 ALA HA 76 MET QB 3.56 (#peak 2951)
&rst
ixpk= 2951, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1139,1140,
/
#
# 73 ALA HA 76 MET QG 4.00 (#peak 2949)
&rst
ixpk= 2949, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1142,1143,
/
#
# 73 ALA QB 74 ARG QD 5.56 (#peak 4798)
&rst
ixpk= 4798, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1=1083,1084,1085,
igr2=1099,1100,
/
#
# 73 ALA QB 76 MET QB 5.21 (#peak 1125)
&rst
ixpk= 1125, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1=1083,1084,1085,
igr2=1139,1140,
/
#
# 74 ARG HA 74 ARG QG 3.33 (#peak 3026)
&rst
ixpk= 3026, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2=1096,1097,
/
#
# 74 ARG HA 74 ARG QD 3.66 (#peak 3352)
&rst
ixpk= 3352, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1099,1100,
/
#
# 74 ARG QB 74 ARG QD 3.26 (#peak 4438)
&rst
ixpk= 4438, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1093,1094,
igr2=1099,1100,
/
#
# 75 LYS HA 75 LYS QG 3.57 (#peak 4008)
&rst
ixpk= 4008, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1120,1121,
/
#
# 75 LYS HA 75 LYS QE 5.19 (#peak 3481)
&rst
ixpk= 3481, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2=1126,1127,
/
#
# 75 LYS QG 75 LYS QE 3.11 (#peak 4507)
&rst
ixpk= 4507, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1120,1121,
igr2=1126,1127,
/
#
# 76 MET HA 76 MET QG 3.23 (#peak 3357)
&rst
ixpk= 3357, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1142,1143,
/
#
# 76 MET QB 76 MET QG 2.35 (#peak 1781)
&rst
ixpk= 1781, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
igr1=1139,1140,
igr2=1142,1143,
/
#
# 76 MET QG 76 MET QE 3.13 (#peak 1780)
&rst
ixpk= 1780, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1142,1143,
igr2=1146,1147,1148,
/
#
# 80 ASP HA 81 SER QB 4.87 (#peak 4733)
&rst
ixpk= 4733, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1216,1217,
/
#
# 80 ASP QB 81 SER QB 5.73 (#peak 4303)
&rst
ixpk= 4303, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1=1204,1205,
igr2=1216,1217,
/
#
# 80 ASP QB 85 ILE QD1 3.71 (#peak 2288)
&rst
ixpk= 2288, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1204,1205,
igr2=1281,1282,1283,
/
#
# 80 ASP QB 163 ILE QG2 4.93 (#peak 3177)
&rst
ixpk= 3177, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1=1204,1205,
igr2=2482,2483,2484,
/
#
# 81 SER HA 81 SER QB 2.61 (#peak 4299)
&rst
ixpk= 4299, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
igr2=1216,1217,
/
#
# 81 SER QB 84 GLU HB2 2.92 (#peak 2766)
&rst
ixpk= 2766, nxpk= 0, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1=1216,1217,
/
#
# 81 SER QB 84 GLU HB3 3.72 (#peak 4307)
&rst
ixpk= 4307, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1216,1217,
/
#
# 81 SER QB 84 GLU QG 4.37 (#peak 4308)
&rst
ixpk= 4308, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1216,1217,
igr2=1260,1261,
/
#
# 81 SER QB 85 ILE QD1 5.74 (#peak 4305)
&rst
ixpk= 4305, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
igr1=1216,1217,
igr2=1281,1282,1283,
/
#
# 81 SER QB 163 ILE QG2 5.91 (#peak 4305)
&rst
ixpk= 4305, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
igr1=1216,1217,
igr2=2482,2483,2484,
/
#
# 82 GLU HA 82 GLU QG 3.00 (#peak 2777)
&rst
ixpk= 2777, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1230,1231,
/
#
# 82 GLU HA 142 VAL QQG 3.20 (#peak 2784)
&rst
ixpk= 2784, nxpk= 0, iat=1225,2153, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, /
#
# 82 GLU QB 85 ILE QD1 4.83 (#peak 3070)
&rst
ixpk= 3070, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1227,1228,
igr2=1281,1282,1283,
/
#
# 82 GLU QB 146 THR HB 3.90 (#peak 4201)
&rst
ixpk= 4201, nxpk= 0, iat= -1,2221, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1227,1228,
/
#
# 82 GLU QB 146 THR QG2 3.13 (#peak 4576)
&rst
ixpk= 4576, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1227,1228,
igr2=2223,2224,2225,
/
#
# 82 GLU QG 85 ILE QG2 5.31 (#peak 3279)
&rst
ixpk= 3279, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1=1230,1231,
igr2=1274,1275,1276,
/
#
# 82 GLU QG 85 ILE QD1 3.91 (#peak 3069)
&rst
ixpk= 3069, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1230,1231,
igr2=1281,1282,1283,
/
#
# 82 GLU QG 142 VAL HA 5.26 (#peak 1231)
&rst
ixpk= 1231, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1230,1231,
/
#
# 82 GLU QG 142 VAL QQG 3.04 (#peak 894)
&rst
ixpk= 894, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1230,1231,
/
#
# 82 GLU QG 146 THR HB 4.16 (#peak 4200)
&rst
ixpk= 4200, nxpk= 0, iat= -1,2221, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1230,1231,
/
#
# 82 GLU QG 146 THR QG2 3.12 (#peak 4579)
&rst
ixpk= 4579, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1230,1231,
igr2=2223,2224,2225,
/
#
# 83 GLU HA 83 GLU QG 2.68 (#peak 4081)
&rst
ixpk= 4081, nxpk= 0, iat=1240, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2=1245,1246,
/
#
# 84 GLU QG 85 ILE HA 5.60 (#peak 4273)
&rst
ixpk= 4273, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1260,1261,
/
#
# 84 GLU QG 163 ILE QG2 3.35 (#peak 2522)
&rst
ixpk= 2522, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1260,1261,
igr2=2482,2483,2484,
/
#
# 84 GLU QG 163 ILE QD1 3.00 (#peak 3061)
&rst
ixpk= 3061, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1260,1261,
igr2=2489,2490,2491,
/
#
# 85 ILE HA 164 ILE QG1 5.12 (#peak 2296)
&rst
ixpk= 2296, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2505,2506,
/
#
# 85 ILE HB 142 VAL QQG 4.14 (#peak 4562)
&rst
ixpk= 4562, nxpk= 0, iat=1272,2153, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, /
#
# 85 ILE QG2 142 VAL QQG 3.42 (#peak 3277)
&rst
ixpk= 3277, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1274,1275,1276,
/
#
# 85 ILE QG2 145 MET QB 4.18 (#peak 3276)
&rst
ixpk= 3276, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1274,1275,1276,
igr2=2204,2205,
/
#
# 85 ILE QG2 164 ILE QG1 4.01 (#peak 702)
&rst
ixpk= 702, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1274,1275,1276,
igr2=2505,2506,
/
#
# 85 ILE QG1 142 VAL QQG 4.18 (#peak 2925)
&rst
ixpk= 2925, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=1278,1279,
/
#
# 85 ILE QG1 145 MET QE 4.53 (#peak 1595)
&rst
ixpk= 1595, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1278,1279,
igr2=2211,2212,2213,
/
#
# 85 ILE QG1 167 ALA QB 4.18 (#peak 4541)
&rst
ixpk= 4541, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1278,1279,
igr2=2559,2560,2561,
/
#
# 85 ILE QD1 145 MET QB 3.44 (#peak 3068)
&rst
ixpk= 3068, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1281,1282,1283,
igr2=2204,2205,
/
#
# 85 ILE QD1 164 ILE QG1 4.97 (#peak 1645)
&rst
ixpk= 1645, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=1281,1282,1283,
igr2=2505,2506,
/
#
# 86 ARG HA 86 ARG QG 2.87 (#peak 2796)
&rst
ixpk= 2796, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2=1294,1295,
/
#
# 86 ARG HA 86 ARG QD 4.06 (#peak 2554)
&rst
ixpk= 2554, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1297,1298,
/
#
# 86 ARG HA 142 VAL QQG 3.00 (#peak 4009)
&rst
ixpk= 4009, nxpk= 0, iat=1289,2153, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, /
#
# 86 ARG HA 164 ILE QG1 6.22 (#peak 1634)
&rst
ixpk= 1634, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2=2505,2506,
/
#
# 86 ARG QB 138 TYR QE 5.35 (#peak 1070)
&rst
ixpk= 1070, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1291,1292,
igr2=2089,2094,
/
#
# 86 ARG QB 142 VAL QQG 3.23 (#peak 4648)
&rst
ixpk= 4648, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1291,1292,
/
#
# 86 ARG QG 89 PHE QD 4.60 (#peak 3867)
&rst
ixpk= 3867, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1294,1295,
igr2=1344,1352,
/
#
# 86 ARG QG 138 TYR QD 3.79 (#peak 3878)
&rst
ixpk= 3878, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1294,1295,
igr2=2087,2096,
/
#
# 86 ARG QG 138 TYR QE 3.52 (#peak 3816)
&rst
ixpk= 3816, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1294,1295,
igr2=2089,2094,
/
#
# 86 ARG QG 142 VAL QQG 3.56 (#peak 4581)
&rst
ixpk= 4581, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1294,1295,
/
#
# 86 ARG QD 89 PHE QD 5.87 (#peak 167)
&rst
ixpk= 167, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1=1297,1298,
igr2=1344,1352,
/
#
# 86 ARG QD 138 TYR QD 5.54 (#peak 166)
&rst
ixpk= 166, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=1297,1298,
igr2=2087,2096,
/
#
# 86 ARG QD 138 TYR QE 4.61 (#peak 165)
&rst
ixpk= 165, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1297,1298,
igr2=2089,2094,
/
#
# 86 ARG QD 139 GLU QG 5.00 (#peak 999)
&rst
ixpk= 999, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1297,1298,
igr2=2107,2108,
/
#
# 86 ARG QD 142 VAL HB 5.51 (#peak 174)
&rst
ixpk= 174, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=1297,1298,
/
#
# 86 ARG QD 142 VAL QQG 4.40 (#peak 171)
&rst
ixpk= 171, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1297,1298,
/
#
# 87 GLU QG 91 VAL QQG 3.80 (#peak 4718)
&rst
ixpk= 4718, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1318,1319,
/
#
# 88 ALA HA 91 VAL QQG 3.00 (#peak 3989)
&rst
ixpk= 3989, nxpk= 0, iat=1328,1383, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, /
#
# 88 ALA HA 164 ILE QG1 6.27 (#peak 2968)
&rst
ixpk= 2968, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2=2505,2506,
/
#
# 88 ALA QB 91 VAL QQG 4.71 (#peak 3238)
&rst
ixpk= 3238, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1330,1331,1332,
/
#
# 88 ALA QB 164 ILE QG1 3.89 (#peak 1641)
&rst
ixpk= 1641, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1330,1331,1332,
igr2=2505,2506,
/
#
# 89 PHE HA 91 VAL QQG 5.30 (#peak 2218)
&rst
ixpk= 2218, nxpk= 0, iat=1338,1383, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, /
#
# 89 PHE HA 164 ILE QG1 5.42 (#peak 1633)
&rst
ixpk= 1633, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=2505,2506,
/
#
# 89 PHE HB2 142 VAL QQG 4.88 (#peak 1404)
&rst
ixpk= 1404, nxpk= 0, iat=1340,2153, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58, /
#
# 89 PHE HB3 142 VAL QQG 4.60 (#peak 1407)
&rst
ixpk= 1407, nxpk= 0, iat=1341,2153, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, /
#
# 89 PHE QD 91 VAL QQG 6.23 (#peak 733)
&rst
ixpk= 733, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr1=1344,1352,
/
#
# 89 PHE QD 142 VAL QQG 2.94 (#peak 3617)
&rst
ixpk= 3617, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1344,1352,
/
#
# 89 PHE QD 164 ILE QG1 4.55 (#peak 1628)
&rst
ixpk= 1628, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1344,1352,
igr2=2505,2506,
/
#
# 89 PHE QE 105 LEU QQD 2.95 (#peak 762)
&rst
ixpk= 762, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1346,1350,
/
#
# 89 PHE QE 141 PHE QB 5.37 (#peak 1863)
&rst
ixpk= 1863, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=1346,1350,
igr2=2134,2135,
/
#
# 89 PHE QE 142 VAL QQG 3.20 (#peak 811)
&rst
ixpk= 811, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1346,1350,
/
#
# 89 PHE QE 164 ILE QG1 4.39 (#peak 1629)
&rst
ixpk= 1629, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1346,1350,
igr2=2505,2506,
/
#
# 89 PHE HZ 105 LEU QQD 3.88 (#peak 3833)
&rst
ixpk= 3833, nxpk= 0, iat=1348,1582, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, /
#
# 89 PHE HZ 141 PHE QB 4.75 (#peak 3838)
&rst
ixpk= 3838, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2134,2135,
/
#
# 89 PHE HZ 142 VAL QQG 5.14 (#peak 3831)
&rst
ixpk= 3831, nxpk= 0, iat=1348,2153, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, /
#
# 89 PHE HZ 164 ILE QG1 4.85 (#peak 1630)
&rst
ixpk= 1630, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2505,2506,
/
#
# 90 ARG HA 90 ARG QG 3.40 (#peak 2657)
&rst
ixpk= 2657, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1363,1364,
/
#
# 90 ARG HA 90 ARG QD 3.82 (#peak 2546)
&rst
ixpk= 2546, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1366,1367,
/
#
# 90 ARG QB 90 ARG QD 2.97 (#peak 2666)
&rst
ixpk= 2666, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1=1360,1361,
igr2=1366,1367,
/
#
# 90 ARG QB 138 TYR QD 5.89 (#peak 1667)
&rst
ixpk= 1667, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92,
igr1=1360,1361,
igr2=2087,2096,
/
#
# 90 ARG QB 138 TYR QE 4.69 (#peak 1666)
&rst
ixpk= 1666, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1360,1361,
igr2=2089,2094,
/
#
# 90 ARG QG 90 ARG QD 2.21 (#peak 2548)
&rst
ixpk= 2548, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,
igr1=1363,1364,
igr2=1366,1367,
/
#
# 90 ARG QG 93 ASP HA 6.27 (#peak 2089)
&rst
ixpk= 2089, nxpk= 0, iat= -1,1418, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=1363,1364,
/
#
# 90 ARG QG 93 ASP QB 4.01 (#peak 4088)
&rst
ixpk= 4088, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1363,1364,
igr2=1420,1421,
/
#
# 90 ARG QG 138 TYR QD 5.74 (#peak 864)
&rst
ixpk= 864, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1=1363,1364,
igr2=2087,2096,
/
#
# 90 ARG QG 138 TYR QE 3.92 (#peak 3814)
&rst
ixpk= 3814, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1363,1364,
igr2=2089,2094,
/
#
# 90 ARG QD 93 ASP QB 5.02 (#peak 2550)
&rst
ixpk= 2550, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1366,1367,
igr2=1420,1421,
/
#
# 90 ARG QD 138 TYR QD 6.27 (#peak 1154)
&rst
ixpk= 1154, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1=1366,1367,
igr2=2087,2096,
/
#
# 90 ARG QD 138 TYR QE 4.50 (#peak 1153)
&rst
ixpk= 1153, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1366,1367,
igr2=2089,2094,
/
#
# 91 VAL HA 91 VAL QQG 2.53 (#peak 3993)
&rst
ixpk= 3993, nxpk= 0, iat=1382,1383, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, /
#
# 91 VAL QQG 92 PHE H 3.65 (#peak 53)
&rst
ixpk= 53, nxpk= 0, iat=1383,1396, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, /
#
# 91 VAL QQG 92 PHE HA 3.72 (#peak 54)
&rst
ixpk= 54, nxpk= 0, iat=1383,1398, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, /
#
# 91 VAL QQG 92 PHE HB2 4.96 (#peak 62)
&rst
ixpk= 62, nxpk= 0, iat=1383,1400, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, /
#
# 91 VAL QQG 92 PHE HB3 5.51 (#peak 489)
&rst
ixpk= 489, nxpk= 0, iat=1383,1401, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21, /
#
# 91 VAL QQG 92 PHE QD 3.57 (#peak 52)
&rst
ixpk= 52, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1404,1412,
/
#
# 91 VAL QQG 92 PHE QE 3.42 (#peak 51)
&rst
ixpk= 51, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1406,1410,
/
#
# 91 VAL QQG 92 PHE HZ 4.39 (#peak 3562)
&rst
ixpk= 3562, nxpk= 0, iat=1383,1408, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, /
#
# 91 VAL QQG 108 VAL QQG 4.67 (#peak 2427)
&rst
ixpk= 2427, nxpk= 0, iat=1383,1639, r1= 1.30, r2= 1.80, r3= 9.07, r4= 9.57, /
#
# 91 VAL QQG 156 GLN HA 5.64 (#peak 2714)
&rst
ixpk= 2714, nxpk= 0, iat=1383,2375, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34, /
#
# 91 VAL QQG 156 GLN QB 3.89 (#peak 3998)
&rst
ixpk= 3998, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=2377,2378,
/
#
# 91 VAL QQG 156 GLN QG 2.77 (#peak 3996)
&rst
ixpk= 3996, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=2380,2381,
/
#
# 91 VAL QG1 156 GLN HG3 5.03 (#peak 3996)
&rst
ixpk= 3996, nxpk= 0, iat= -1,2381, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1386,1387,1388,
/
#
# 91 VAL QG2 156 GLN HG3 5.03 (#peak 3996)
&rst
ixpk= 3996, nxpk= 0, iat= -1,2381, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1390,1391,1392,
/
#
# 91 VAL QQG 157 GLU HA 2.99 (#peak 59)
&rst
ixpk= 59, nxpk= 0, iat=1383,2392, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, /
#
# 91 VAL QQG 157 GLU HB2 4.31 (#peak 1619)
&rst
ixpk= 1619, nxpk= 0, iat=1383,2394, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, /
#
# 91 VAL QQG 157 GLU HG2 4.67 (#peak 983)
&rst
ixpk= 983, nxpk= 0, iat=1383,2397, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, /
#
# 91 VAL QQG 157 GLU HG3 3.70 (#peak 64)
&rst
ixpk= 64, nxpk= 0, iat=1383,2398, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, /
#
# 91 VAL QQG 160 SER HA 5.20 (#peak 3970)
&rst
ixpk= 3970, nxpk= 0, iat=1383,2438, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90, /
#
# 91 VAL QQG 160 SER HB2 3.49 (#peak 57)
&rst
ixpk= 57, nxpk= 0, iat=1383,2440, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, /
#
# 91 VAL QQG 160 SER HB3 3.44 (#peak 58)
&rst
ixpk= 58, nxpk= 0, iat=1383,2441, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, /
#
# 91 VAL QQG 164 ILE QD1 5.04 (#peak 50)
&rst
ixpk= 50, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
igr2=2508,2509,2510,
/
#
# 92 PHE HA 108 VAL QQG 4.72 (#peak 2402)
&rst
ixpk= 2402, nxpk= 0, iat=1398,1639, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, /
#
# 92 PHE HB2 105 LEU QQD 5.05 (#peak 498)
&rst
ixpk= 498, nxpk= 0, iat=1400,1582, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75, /
#
# 92 PHE HB2 108 VAL QQG 4.13 (#peak 3939)
&rst
ixpk= 3939, nxpk= 0, iat=1400,1639, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, /
#
# 92 PHE HB3 105 LEU QQD 6.40 (#peak 493)
&rst
ixpk= 493, nxpk= 0, iat=1401,1582, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10, /
#
# 92 PHE HB3 108 VAL QQG 5.07 (#peak 490)
&rst
ixpk= 490, nxpk= 0, iat=1401,1639, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, /
#
# 92 PHE QD 104 GLU QG 5.07 (#peak 1008)
&rst
ixpk= 1008, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1404,1412,
igr2=1568,1569,
/
#
# 92 PHE QD 105 LEU QQD 3.98 (#peak 3621)
&rst
ixpk= 3621, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1404,1412,
/
#
# 92 PHE QD 108 VAL QQG 3.21 (#peak 740)
&rst
ixpk= 740, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1404,1412,
/
#
# 92 PHE QD 112 LEU QQD 4.82 (#peak 824)
&rst
ixpk= 824, nxpk= 0, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1404,1412,
/
#
# 92 PHE QD 156 GLN QG 6.27 (#peak 1614)
&rst
ixpk= 1614, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1=1404,1412,
igr2=2380,2381,
/
#
# 92 PHE QD 164 ILE QG1 5.87 (#peak 1627)
&rst
ixpk= 1627, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1=1404,1412,
igr2=2505,2506,
/
#
# 92 PHE QE 105 LEU QQD 4.35 (#peak 3857)
&rst
ixpk= 3857, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1=1406,1410,
/
#
# 92 PHE QE 108 VAL QQG 3.31 (#peak 746)
&rst
ixpk= 746, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1406,1410,
/
#
# 92 PHE QE 112 LEU QQD 3.34 (#peak 825)
&rst
ixpk= 825, nxpk= 0, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1406,1410,
/
#
# 92 PHE QE 156 GLN QG 5.93 (#peak 1613)
&rst
ixpk= 1613, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=1406,1410,
igr2=2380,2381,
/
#
# 92 PHE QE 164 ILE QG1 6.27 (#peak 1650)
&rst
ixpk= 1650, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1=1406,1410,
igr2=2505,2506,
/
#
# 92 PHE HZ 108 VAL QQG 3.50 (#peak 743)
&rst
ixpk= 743, nxpk= 0, iat=1408,1639, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, /
#
# 92 PHE HZ 112 LEU QQD 3.61 (#peak 823)
&rst
ixpk= 823, nxpk= 0, iat=1408,1703, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, /
#
# 93 ASP HA 94 LYS QB 4.75 (#peak 2087)
&rst
ixpk= 2087, nxpk= 0, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1432,1433,
/
#
# 93 ASP HA 94 LYS QG 5.62 (#peak 2086)
&rst
ixpk= 2086, nxpk= 0, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2=1435,1436,
/
#
# 93 ASP QB 100 ILE HB 6.27 (#peak 3290)
&rst
ixpk= 3290, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=1420,1421,
/
#
# 93 ASP QB 100 ILE QG2 5.87 (#peak 4090)
&rst
ixpk= 4090, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr1=1420,1421,
igr2=1517,1518,1519,
/
#
# 93 ASP QB 100 ILE HG12 4.65 (#peak 4091)
&rst
ixpk= 4091, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1420,1421,
/
#
# 93 ASP QB 100 ILE HG13 5.24 (#peak 4422)
&rst
ixpk= 4422, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1420,1421,
/
#
# 93 ASP QB 100 ILE QD1 5.09 (#peak 4682)
&rst
ixpk= 4682, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=1420,1421,
igr2=1524,1525,1526,
/
#
# 93 ASP QB 138 TYR QD 5.03 (#peak 2159)
&rst
ixpk= 2159, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1420,1421,
igr2=2087,2096,
/
#
# 93 ASP QB 138 TYR QE 3.33 (#peak 3808)
&rst
ixpk= 3808, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1420,1421,
igr2=2089,2094,
/
#
# 94 LYS HA 94 LYS QG 3.54 (#peak 4212)
&rst
ixpk= 4212, nxpk= 0, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1435,1436,
/
#
# 94 LYS QB 94 LYS QE 3.74 (#peak 3008)
&rst
ixpk= 3008, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1432,1433,
igr2=1441,1442,
/
#
# 96 GLY QA 97 ASN HA 4.66 (#peak 1558)
&rst
ixpk= 1558, nxpk= 0, iat= -1,1471, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1464,1465,
/
#
# 96 GLY QA 99 TYR QD 6.18 (#peak 1938)
&rst
ixpk= 1938, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1=1464,1465,
igr2=1498,1507,
/
#
# 97 ASN QB 99 TYR QD 3.50 (#peak 3644)
&rst
ixpk= 3644, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1473,1474,
igr2=1498,1507,
/
#
# 97 ASN QB 99 TYR QE 3.13 (#peak 3651)
&rst
ixpk= 3651, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1473,1474,
igr2=1500,1505,
/
#
# 98 GLY QA 99 TYR HA 4.25 (#peak 2008)
&rst
ixpk= 2008, nxpk= 0, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1485,1486,
/
#
# 98 GLY QA 99 TYR QD 5.01 (#peak 1132)
&rst
ixpk= 1132, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1485,1486,
igr2=1498,1507,
/
#
# 98 GLY QA 138 TYR QD 4.96 (#peak 1133)
&rst
ixpk= 1133, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=1485,1486,
igr2=2087,2096,
/
#
# 98 GLY QA 138 TYR QE 3.42 (#peak 3395)
&rst
ixpk= 3395, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1485,1486,
igr2=2089,2094,
/
#
# 98 GLY QA 139 GLU QG 5.15 (#peak 4645)
&rst
ixpk= 4645, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1485,1486,
igr2=2107,2108,
/
#
# 99 TYR HA 105 LEU QQD 6.40 (#peak 2019)
&rst
ixpk= 2019, nxpk= 0, iat=1492,1582, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10, /
#
# 99 TYR HA 136 VAL QQG 5.28 (#peak 724)
&rst
ixpk= 724, nxpk= 0, iat=1492,2052, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, /
#
# 99 TYR HA 137 ASN QB 4.76 (#peak 2010)
&rst
ixpk= 2010, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=2069,2070,
/
#
# 99 TYR QB 100 ILE HB 5.80 (#peak 3289)
&rst
ixpk= 3289, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1494,1495,
/
#
# 99 TYR QB 137 ASN HA 4.03 (#peak 1945)
&rst
ixpk= 1945, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1494,1495,
/
#
# 99 TYR QB 138 TYR QD 4.71 (#peak 3886)
&rst
ixpk= 3886, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1494,1495,
igr2=2087,2096,
/
#
# 99 TYR QD 101 SER QB 6.27 (#peak 1273)
&rst
ixpk= 1273, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1=1498,1507,
igr2=1534,1535,
/
#
# 99 TYR QD 135 GLN QB 3.54 (#peak 3649)
&rst
ixpk= 3649, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1498,1507,
igr2=2036,2037,
/
#
# 99 TYR QE 101 SER QB 5.47 (#peak 1274)
&rst
ixpk= 1274, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=1500,1505,
igr2=1534,1535,
/
#
# 99 TYR QE 136 VAL QQG 4.89 (#peak 3823)
&rst
ixpk= 3823, nxpk= 0, iat= -1,2052, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1=1500,1505,
/
#
# 100 ILE HA 105 LEU QQD 5.93 (#peak 4483)
&rst
ixpk= 4483, nxpk= 0, iat=1513,1582, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63, /
#
# 100 ILE HA 136 VAL QQG 5.11 (#peak 734)
&rst
ixpk= 734, nxpk= 0, iat=1513,2052, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81, /
#
# 100 ILE HB 105 LEU QQD 4.30 (#peak 4412)
&rst
ixpk= 4412, nxpk= 0, iat=1515,1582, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 100 ILE HB 136 VAL QQG 4.49 (#peak 3288)
&rst
ixpk= 3288, nxpk= 0, iat=1515,2052, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, /
#
# 100 ILE QG2 101 SER QB 4.74 (#peak 3148)
&rst
ixpk= 3148, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1517,1518,1519,
igr2=1534,1535,
/
#
# 100 ILE QG2 104 GLU QB 4.29 (#peak 3135)
&rst
ixpk= 3135, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1517,1518,1519,
igr2=1565,1566,
/
#
# 100 ILE QG2 104 GLU QG 3.69 (#peak 3139)
&rst
ixpk= 3139, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1517,1518,1519,
igr2=1568,1569,
/
#
# 100 ILE QG2 105 LEU QQD 2.92 (#peak 3127)
&rst
ixpk= 3127, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1517,1518,1519,
/
#
# 100 ILE QG2 109 MET QG 6.27 (#peak 2868)
&rst
ixpk= 2868, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95,
igr1=1517,1518,1519,
igr2=1659,1660,
/
#
# 100 ILE QG2 136 VAL QQG 3.30 (#peak 3127)
&rst
ixpk= 3127, nxpk= 0, iat= -1,2052, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1517,1518,1519,
/
#
# 100 ILE HG12 105 LEU QQD 5.66 (#peak 4788)
&rst
ixpk= 4788, nxpk= 0, iat=1521,1582, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, /
#
# 100 ILE HG13 105 LEU QQD 5.79 (#peak 4471)
&rst
ixpk= 4471, nxpk= 0, iat=1522,1582, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49, /
#
# 100 ILE HG13 136 VAL QQG 5.62 (#peak 4470)
&rst
ixpk= 4470, nxpk= 0, iat=1522,2052, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32, /
#
# 100 ILE QD1 105 LEU QQD 3.54 (#peak 3084)
&rst
ixpk= 3084, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1524,1525,1526,
/
#
# 101 SER HA 101 SER QB 2.61 (#peak 1276)
&rst
ixpk= 1276, nxpk= 0, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
igr2=1534,1535,
/
#
# 101 SER HA 135 GLN QB 4.66 (#peak 2593)
&rst
ixpk= 2593, nxpk= 0, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=2036,2037,
/
#
# 101 SER HA 136 VAL QQG 4.56 (#peak 2596)
&rst
ixpk= 2596, nxpk= 0, iat=1532,2052, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26, /
#
# 101 SER QB 102 ALA QB 4.47 (#peak 3962)
&rst
ixpk= 3962, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1534,1535,
igr2=1545,1546,1547,
/
#
# 101 SER QB 104 GLU QB 3.13 (#peak 2354)
&rst
ixpk= 2354, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1534,1535,
igr2=1565,1566,
/
#
# 101 SER QB 135 GLN HA 4.72 (#peak 1074)
&rst
ixpk= 1074, nxpk= 0, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1534,1535,
/
#
# 102 ALA HA 136 VAL QQG 3.09 (#peak 2961)
&rst
ixpk= 2961, nxpk= 0, iat=1543,2052, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, /
#
# 102 ALA QB 129 ASP QB 4.29 (#peak 3503)
&rst
ixpk= 3503, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1545,1546,1547,
igr2=1967,1968,
/
#
# 102 ALA QB 136 VAL QQG 2.82 (#peak 2983)
&rst
ixpk= 2983, nxpk= 0, iat= -1,2052, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1545,1546,1547,
/
#
# 103 ALA HA 106 ARG QB 3.20 (#peak 4740)
&rst
ixpk= 4740, nxpk= 0, iat=1553, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1599,1600,
/
#
# 103 ALA HA 106 ARG QD 4.03 (#peak 2436)
&rst
ixpk= 2436, nxpk= 0, iat=1553, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1605,1606,
/
#
# 103 ALA QB 106 ARG QD 4.88 (#peak 4799)
&rst
ixpk= 4799, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1555,1556,1557,
igr2=1605,1606,
/
#
# 104 GLU HA 104 GLU QB 2.57 (#peak 4459)
&rst
ixpk= 4459, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2=1565,1566,
/
#
# 104 GLU HA 104 GLU QG 3.11 (#peak 2521)
&rst
ixpk= 2521, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1568,1569,
/
#
# 104 GLU HA 108 VAL QQG 4.65 (#peak 1009)
&rst
ixpk= 1009, nxpk= 0, iat=1563,1639, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, /
#
# 104 GLU QB 107 HIS HB2 6.08 (#peak 112)
&rst
ixpk= 112, nxpk= 0, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=1565,1566,
/
#
# 104 GLU QB 107 HIS HB3 5.10 (#peak 114)
&rst
ixpk= 114, nxpk= 0, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1565,1566,
/
#
# 104 GLU QB 107 HIS HD2 6.27 (#peak 3423)
&rst
ixpk= 3423, nxpk= 0, iat= -1,1632, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=1565,1566,
/
#
# 104 GLU QG 107 HIS HB2 5.93 (#peak 111)
&rst
ixpk= 111, nxpk= 0, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1568,1569,
/
#
# 104 GLU QG 107 HIS HB3 4.67 (#peak 115)
&rst
ixpk= 115, nxpk= 0, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1568,1569,
/
#
# 104 GLU QG 107 HIS HD2 4.84 (#peak 3421)
&rst
ixpk= 3421, nxpk= 0, iat= -1,1632, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1568,1569,
/
#
# 104 GLU QG 108 VAL QQG 3.33 (#peak 1040)
&rst
ixpk= 1040, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1568,1569,
/
#
# 105 LEU HA 105 LEU QQD 2.86 (#peak 3986)
&rst
ixpk= 3986, nxpk= 0, iat=1578,1582, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, /
#
# 105 LEU HA 108 VAL QQG 3.15 (#peak 3934)
&rst
ixpk= 3934, nxpk= 0, iat=1578,1639, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, /
#
# 105 LEU HB2 105 LEU QQD 2.88 (#peak 4481)
&rst
ixpk= 4481, nxpk= 0, iat=1580,1582, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, /
#
# 105 LEU HB2 108 VAL QQG 4.70 (#peak 180)
&rst
ixpk= 180, nxpk= 0, iat=1580,1639, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, /
#
# 105 LEU HB3 105 LEU QQD 2.88 (#peak 4480)
&rst
ixpk= 4480, nxpk= 0, iat=1581,1582, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, /
#
# 105 LEU HB3 109 MET QG 4.82 (#peak 2859)
&rst
ixpk= 2859, nxpk= 0, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1659,1660,
/
#
# 105 LEU HG 108 VAL QQG 4.84 (#peak 3307)
&rst
ixpk= 3307, nxpk= 0, iat=1583,1639, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54, /
#
# 105 LEU HG 109 MET QG 4.36 (#peak 3303)
&rst
ixpk= 3303, nxpk= 0, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1659,1660,
/
#
# 105 LEU QQD 108 VAL QQG 4.32 (#peak 2424)
&rst
ixpk= 2424, nxpk= 0, iat=1582,1639, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22, /
#
# 105 LEU QQD 109 MET HA 5.44 (#peak 4505)
&rst
ixpk= 4505, nxpk= 0, iat=1582,1654, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, /
#
# 105 LEU QQD 109 MET QG 3.03 (#peak 2866)
&rst
ixpk= 2866, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1659,1660,
/
#
# 105 LEU QQD 109 MET QE 3.05 (#peak 3978)
&rst
ixpk= 3978, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1663,1664,1665,
/
#
# 105 LEU QQD 124 MET HG2 3.69 (#peak 4563)
&rst
ixpk= 4563, nxpk= 0, iat=1582,1885, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, /
#
# 105 LEU QQD 124 MET HG3 3.76 (#peak 4158)
&rst
ixpk= 4158, nxpk= 0, iat=1582,1886, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, /
#
# 105 LEU QQD 124 MET QE 3.56 (#peak 3979)
&rst
ixpk= 3979, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr2=1889,1890,1891,
/
#
# 105 LEU QQD 125 ILE HA 4.72 (#peak 4479)
&rst
ixpk= 4479, nxpk= 0, iat=1582,1897, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, /
#
# 105 LEU QQD 136 VAL HB 3.90 (#peak 4155)
&rst
ixpk= 4155, nxpk= 0, iat=1582,2053, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, /
#
# 105 LEU QQD 137 ASN HA 6.40 (#peak 1949)
&rst
ixpk= 1949, nxpk= 0, iat=1582,2067, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10, /
#
# 105 LEU QQD 138 TYR QD 5.06 (#peak 3871)
&rst
ixpk= 3871, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
igr2=2087,2096,
/
#
# 105 LEU QQD 161 ALA HA 5.16 (#peak 2330)
&rst
ixpk= 2330, nxpk= 0, iat=1582,2449, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86, /
#
# 105 LEU QQD 164 ILE QG2 3.31 (#peak 668)
&rst
ixpk= 668, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=2501,2502,2503,
/
#
# 105 LEU QQD 164 ILE QD1 3.70 (#peak 45)
&rst
ixpk= 45, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2=2508,2509,2510,
/
#
# 106 ARG HA 106 ARG QG 3.22 (#peak 2533)
&rst
ixpk= 2533, nxpk= 0, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1602,1603,
/
#
# 106 ARG HA 106 ARG QD 4.17 (#peak 2537)
&rst
ixpk= 2537, nxpk= 0, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1605,1606,
/
#
# 106 ARG HA 108 VAL QQG 5.11 (#peak 3936)
&rst
ixpk= 3936, nxpk= 0, iat=1597,1639, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81, /
#
# 106 ARG HA 109 MET QG 4.14 (#peak 2814)
&rst
ixpk= 2814, nxpk= 0, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1659,1660,
/
#
# 106 ARG HA 116 LEU QQD 5.31 (#peak 3912)
&rst
ixpk= 3912, nxpk= 0, iat=1597,1766, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01, /
#
# 106 ARG HA 121 VAL QQG 3.01 (#peak 4012)
&rst
ixpk= 4012, nxpk= 0, iat=1597,1838, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, /
#
# 106 ARG QB 106 ARG QD 2.85 (#peak 175)
&rst
ixpk= 175, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1599,1600,
igr2=1605,1606,
/
#
# 106 ARG QB 125 ILE QD1 4.02 (#peak 4710)
&rst
ixpk= 4710, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1599,1600,
igr2=1908,1909,1910,
/
#
# 106 ARG QG 109 MET HB2 5.48 (#peak 4801)
&rst
ixpk= 4801, nxpk= 0, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1602,1603,
/
#
# 106 ARG QG 121 VAL QQG 2.77 (#peak 4205)
&rst
ixpk= 4205, nxpk= 0, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1602,1603,
/
#
# 106 ARG HG3 121 VAL QG1 5.14 (#peak 4205)
&rst
ixpk= 4205, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1841,1842,1843,
/
#
# 106 ARG HG3 121 VAL QG2 5.14 (#peak 4205)
&rst
ixpk= 4205, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1845,1846,1847,
/
#
# 106 ARG QD 110 THR QG2 4.50 (#peak 172)
&rst
ixpk= 172, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1605,1606,
igr2=1675,1676,1677,
/
#
# 106 ARG QD 121 VAL QQG 3.34 (#peak 3521)
&rst
ixpk= 3521, nxpk= 0, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1605,1606,
/
#
# 106 ARG QD 125 ILE QG2 5.66 (#peak 4114)
&rst
ixpk= 4114, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1=1605,1606,
igr2=1901,1902,1903,
/
#
# 106 ARG QD 125 ILE QD1 4.24 (#peak 528)
&rst
ixpk= 528, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1605,1606,
igr2=1908,1909,1910,
/
#
# 107 HIS HB2 108 VAL QQG 5.15 (#peak 106)
&rst
ixpk= 106, nxpk= 0, iat=1623,1639, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85, /
#
# 107 HIS HB3 108 VAL QQG 4.46 (#peak 108)
&rst
ixpk= 108, nxpk= 0, iat=1624,1639, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, /
#
# 107 HIS HD2 108 VAL QQG 3.51 (#peak 3415)
&rst
ixpk= 3415, nxpk= 0, iat=1632,1639, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, /
#
# 107 HIS HD2 112 LEU QQD 4.34 (#peak 3417)
&rst
ixpk= 3417, nxpk= 0, iat=1632,1703, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, /
#
# 107 HIS HE1 108 VAL QQG 6.40 (#peak 750)
&rst
ixpk= 750, nxpk= 0, iat=1628,1639, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10, /
#
# 108 VAL HA 108 VAL QQG 2.77 (#peak 2409)
&rst
ixpk= 2409, nxpk= 0, iat=1638,1639, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, /
#
# 108 VAL HA 112 LEU QQD 3.17 (#peak 4049)
&rst
ixpk= 4049, nxpk= 0, iat=1638,1703, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, /
#
# 108 VAL HB 112 LEU QQD 3.85 (#peak 2832)
&rst
ixpk= 2832, nxpk= 0, iat=1640,1703, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, /
#
# 108 VAL QQG 109 MET HA 4.09 (#peak 749)
&rst
ixpk= 749, nxpk= 0, iat=1639,1654, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, /
#
# 108 VAL QQG 109 MET QG 3.63 (#peak 3943)
&rst
ixpk= 3943, nxpk= 0, iat=1639, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1659,1660,
/
#
# 108 VAL QQG 109 MET QE 3.03 (#peak 2419)
&rst
ixpk= 2419, nxpk= 0, iat=1639, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1663,1664,1665,
/
#
# 108 VAL QQG 112 LEU HA 5.60 (#peak 2401)
&rst
ixpk= 2401, nxpk= 0, iat=1639,1699, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30, /
#
# 108 VAL QQG 112 LEU HB2 4.17 (#peak 4401)
&rst
ixpk= 4401, nxpk= 0, iat=1639,1701, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, /
#
# 108 VAL QQG 112 LEU HB3 5.16 (#peak 4402)
&rst
ixpk= 4402, nxpk= 0, iat=1639,1702, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86, /
#
# 108 VAL QQG 112 LEU HG 3.55 (#peak 2421)
&rst
ixpk= 2421, nxpk= 0, iat=1639,1704, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, /
#
# 108 VAL QQG 112 LEU QQD 2.87 (#peak 2423)
&rst
ixpk= 2423, nxpk= 0, iat=1639,1703, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, /
#
# 108 VAL QQG 157 GLU HA 4.67 (#peak 2407)
&rst
ixpk= 2407, nxpk= 0, iat=1639,2392, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, /
#
# 108 VAL QQG 157 GLU HG2 4.05 (#peak 2416)
&rst
ixpk= 2416, nxpk= 0, iat=1639,2397, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, /
#
# 108 VAL QQG 157 GLU HG3 4.17 (#peak 2418)
&rst
ixpk= 2418, nxpk= 0, iat=1639,2398, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, /
#
# 108 VAL QQG 158 GLU HA 4.36 (#peak 2405)
&rst
ixpk= 2405, nxpk= 0, iat=1639,2407, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, /
#
# 108 VAL QQG 159 VAL H 6.40 (#peak 750)
&rst
ixpk= 750, nxpk= 0, iat=1639,2420, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10, /
#
# 108 VAL QQG 160 SER HB2 4.99 (#peak 2404)
&rst
ixpk= 2404, nxpk= 0, iat=1639,2440, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, /
#
# 108 VAL QQG 161 ALA HA 3.76 (#peak 2408)
&rst
ixpk= 2408, nxpk= 0, iat=1639,2449, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, /
#
# 108 VAL QQG 161 ALA QB 2.90 (#peak 2422)
&rst
ixpk= 2422, nxpk= 0, iat=1639, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2451,2452,2453,
/
#
# 108 VAL QQG 164 ILE QD1 4.22 (#peak 2428)
&rst
ixpk= 2428, nxpk= 0, iat=1639, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=2508,2509,2510,
/
#
# 109 MET HA 109 MET QG 3.48 (#peak 3479)
&rst
ixpk= 3479, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1659,1660,
/
#
# 109 MET HA 112 LEU QQD 5.64 (#peak 189)
&rst
ixpk= 189, nxpk= 0, iat=1654,1703, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34, /
#
# 109 MET HA 116 LEU QQD 4.45 (#peak 3468)
&rst
ixpk= 3468, nxpk= 0, iat=1654,1766, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15, /
#
# 109 MET HA 121 VAL QQG 5.68 (#peak 3472)
&rst
ixpk= 3472, nxpk= 0, iat=1654,1838, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38, /
#
# 109 MET HA 165 GLN QG 4.51 (#peak 2507)
&rst
ixpk= 2507, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=2521,2522,
/
#
# 109 MET HB2 116 LEU QB 5.36 (#peak 4670)
&rst
ixpk= 4670, nxpk= 0, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1764,1765,
/
#
# 109 MET HB2 116 LEU QQD 4.07 (#peak 3917)
&rst
ixpk= 3917, nxpk= 0, iat=1656,1766, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, /
#
# 109 MET HB2 121 VAL QQG 3.36 (#peak 4019)
&rst
ixpk= 4019, nxpk= 0, iat=1656,1838, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, /
#
# 109 MET HB3 116 LEU QQD 4.14 (#peak 926)
&rst
ixpk= 926, nxpk= 0, iat=1657,1766, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, /
#
# 109 MET HB3 121 VAL QQG 3.81 (#peak 925)
&rst
ixpk= 925, nxpk= 0, iat=1657,1838, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, /
#
# 109 MET HB3 165 GLN QG 5.25 (#peak 4113)
&rst
ixpk= 4113, nxpk= 0, iat=1657, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=2521,2522,
/
#
# 109 MET QG 109 MET QE 2.86 (#peak 81)
&rst
ixpk= 81, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=1659,1660,
igr2=1663,1664,1665,
/
#
# 109 MET QG 110 THR QG2 5.00 (#peak 3494)
&rst
ixpk= 3494, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1659,1660,
igr2=1675,1676,1677,
/
#
# 109 MET QG 116 LEU QQD 4.26 (#peak 4034)
&rst
ixpk= 4034, nxpk= 0, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=1659,1660,
/
#
# 109 MET QG 121 VAL QQG 3.48 (#peak 4017)
&rst
ixpk= 4017, nxpk= 0, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1659,1660,
/
#
# 109 MET QG 124 MET QE 3.89 (#peak 2863)
&rst
ixpk= 2863, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1659,1660,
igr2=1889,1890,1891,
/
#
# 109 MET QG 125 ILE QD1 4.53 (#peak 3046)
&rst
ixpk= 3046, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1659,1660,
igr2=1908,1909,1910,
/
#
# 109 MET QG 161 ALA HA 5.88 (#peak 2339)
&rst
ixpk= 2339, nxpk= 0, iat= -1,2449, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1659,1660,
/
#
# 109 MET QG 161 ALA QB 4.52 (#peak 3198)
&rst
ixpk= 3198, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1659,1660,
igr2=2451,2452,2453,
/
#
# 109 MET QG 164 ILE QD1 5.45 (#peak 35)
&rst
ixpk= 35, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1=1659,1660,
igr2=2508,2509,2510,
/
#
# 109 MET QE 112 LEU QQD 4.54 (#peak 89)
&rst
ixpk= 89, nxpk= 0, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,
igr1=1663,1664,1665,
/
#
# 109 MET QE 164 ILE QG1 4.47 (#peak 94)
&rst
ixpk= 94, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1663,1664,1665,
igr2=2505,2506,
/
#
# 109 MET QE 165 GLN QG 3.09 (#peak 82)
&rst
ixpk= 82, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1663,1664,1665,
igr2=2521,2522,
/
#
# 110 THR HA 115 LYS QB 3.89 (#peak 3693)
&rst
ixpk= 3693, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1742,1743,
/
#
# 110 THR HA 115 LYS QG 4.48 (#peak 3697)
&rst
ixpk= 3697, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1745,1746,
/
#
# 110 THR HA 115 LYS QD 4.18 (#peak 3698)
&rst
ixpk= 3698, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1748,1749,
/
#
# 110 THR HA 116 LEU QB 5.50 (#peak 3695)
&rst
ixpk= 3695, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1764,1765,
/
#
# 110 THR HA 121 VAL QQG 4.24 (#peak 3696)
&rst
ixpk= 3696, nxpk= 0, iat=1671,1838, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, /
#
# 110 THR HB 115 LYS QB 4.22 (#peak 4184)
&rst
ixpk= 4184, nxpk= 0, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1742,1743,
/
#
# 110 THR HB 115 LYS QG 5.22 (#peak 4186)
&rst
ixpk= 4186, nxpk= 0, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1745,1746,
/
#
# 110 THR HB 115 LYS QD 4.30 (#peak 4185)
&rst
ixpk= 4185, nxpk= 0, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1748,1749,
/
#
# 110 THR HB 121 VAL QQG 4.10 (#peak 4830)
&rst
ixpk= 4830, nxpk= 0, iat=1673,1838, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, /
#
# 110 THR QG2 115 LYS QB 4.57 (#peak 462)
&rst
ixpk= 462, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1675,1676,1677,
igr2=1742,1743,
/
#
# 111 ASN HA 112 LEU QQD 4.57 (#peak 4551)
&rst
ixpk= 4551, nxpk= 0, iat=1685,1703, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, /
#
# 111 ASN HA 115 LYS QB 6.02 (#peak 2381)
&rst
ixpk= 2381, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2=1742,1743,
/
#
# 111 ASN HA 115 LYS QG 4.68 (#peak 458)
&rst
ixpk= 458, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1745,1746,
/
#
# 111 ASN HA 115 LYS QD 3.46 (#peak 4696)
&rst
ixpk= 4696, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1748,1749,
/
#
# 111 ASN HA 115 LYS QE 4.47 (#peak 2376)
&rst
ixpk= 2376, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1751,1752,
/
#
# 111 ASN HB2 112 LEU QQD 4.64 (#peak 1878)
&rst
ixpk= 1878, nxpk= 0, iat=1687,1703, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34, /
#
# 111 ASN HB3 112 LEU QQD 3.35 (#peak 4553)
&rst
ixpk= 4553, nxpk= 0, iat=1688,1703, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, /
#
# 112 LEU HA 112 LEU QQD 3.27 (#peak 186)
&rst
ixpk= 186, nxpk= 0, iat=1699,1703, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, /
#
# 112 LEU HA 158 GLU QG 5.18 (#peak 2938)
&rst
ixpk= 2938, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=2412,2413,
/
#
# 112 LEU HB2 112 LEU QQD 2.93 (#peak 4039)
&rst
ixpk= 4039, nxpk= 0, iat=1701,1703, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, /
#
# 112 LEU HB2 158 GLU QG 4.59 (#peak 4400)
&rst
ixpk= 4400, nxpk= 0, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2412,2413,
/
#
# 112 LEU HB3 158 GLU QB 4.02 (#peak 2768)
&rst
ixpk= 2768, nxpk= 0, iat=1702, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=2409,2410,
/
#
# 112 LEU HB3 158 GLU QG 3.51 (#peak 2517)
&rst
ixpk= 2517, nxpk= 0, iat=1702, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=2412,2413,
/
#
# 112 LEU QQD 154 ARG HA 6.28 (#peak 189)
&rst
ixpk= 189, nxpk= 0, iat=1703,2329, r1= 1.30, r2= 1.80, r3= 8.48, r4= 8.98, /
#
# 112 LEU QQD 154 ARG QD 3.90 (#peak 4552)
&rst
ixpk= 4552, nxpk= 0, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=2337,2338,
/
#
# 112 LEU QQD 157 GLU HA 4.62 (#peak 2192)
&rst
ixpk= 2192, nxpk= 0, iat=1703,2392, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, /
#
# 112 LEU QQD 157 GLU HB3 3.45 (#peak 2785)
&rst
ixpk= 2785, nxpk= 0, iat=1703,2395, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, /
#
# 112 LEU QQD 157 GLU HG2 3.30 (#peak 4042)
&rst
ixpk= 4042, nxpk= 0, iat=1703,2397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 112 LEU QQD 157 GLU HG3 4.18 (#peak 985)
&rst
ixpk= 985, nxpk= 0, iat=1703,2398, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, /
#
# 112 LEU QQD 158 GLU HA 3.06 (#peak 2773)
&rst
ixpk= 2773, nxpk= 0, iat=1703,2407, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, /
#
# 112 LEU QQD 158 GLU QG 2.78 (#peak 2516)
&rst
ixpk= 2516, nxpk= 0, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2412,2413,
/
#
# 112 LEU QQD 159 VAL H 5.36 (#peak 833)
&rst
ixpk= 833, nxpk= 0, iat=1703,2420, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, /
#
# 112 LEU QQD 161 ALA HA 4.69 (#peak 2329)
&rst
ixpk= 2329, nxpk= 0, iat=1703,2449, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, /
#
# 112 LEU QQD 161 ALA QB 2.76 (#peak 4036)
&rst
ixpk= 4036, nxpk= 0, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2451,2452,2453,
/
#
# 113 GLY HA2 114 GLU QG 5.03 (#peak 1535)
&rst
ixpk= 1535, nxpk= 0, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1730,1731,
/
#
# 113 GLY HA2 165 GLN QG 4.87 (#peak 1533)
&rst
ixpk= 1533, nxpk= 0, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=2521,2522,
/
#
# 113 GLY HA3 114 GLU QG 5.02 (#peak 1534)
&rst
ixpk= 1534, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1730,1731,
/
#
# 113 GLY HA3 162 ILE QG1 3.91 (#peak 2907)
&rst
ixpk= 2907, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=2467,2468,
/
#
# 113 GLY HA3 165 GLN QG 4.52 (#peak 1532)
&rst
ixpk= 1532, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=2521,2522,
/
#
# 114 GLU HA 114 GLU QG 2.91 (#peak 2692)
&rst
ixpk= 2692, nxpk= 0, iat=1725, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2=1730,1731,
/
#
# 114 GLU QG 162 ILE HA 4.29 (#peak 4286)
&rst
ixpk= 4286, nxpk= 0, iat= -1,2459, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1730,1731,
/
#
# 114 GLU QG 162 ILE QG2 3.43 (#peak 3095)
&rst
ixpk= 3095, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1730,1731,
igr2=2463,2464,2465,
/
#
# 114 GLU QG 162 ILE QG1 4.63 (#peak 2908)
&rst
ixpk= 2908, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1730,1731,
igr2=2467,2468,
/
#
# 114 GLU QG 162 ILE QD1 3.65 (#peak 4719)
&rst
ixpk= 4719, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1730,1731,
igr2=2470,2471,2472,
/
#
# 115 LYS HA 115 LYS QG 3.11 (#peak 3499)
&rst
ixpk= 3499, nxpk= 0, iat=1740, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1745,1746,
/
#
# 115 LYS QB 115 LYS QE 3.91 (#peak 459)
&rst
ixpk= 459, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1742,1743,
igr2=1751,1752,
/
#
# 115 LYS QG 115 LYS QE 2.92 (#peak 2979)
&rst
ixpk= 2979, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1=1745,1746,
igr2=1751,1752,
/
#
# 116 LEU HA 116 LEU QQD 2.82 (#peak 4224)
&rst
ixpk= 4224, nxpk= 0, iat=1762,1766, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, /
#
# 116 LEU QB 116 LEU QQD 2.80 (#peak 3920)
&rst
ixpk= 3920, nxpk= 0, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1764,1765,
/
#
# 116 LEU QB 120 GLU HG2 4.25 (#peak 1046)
&rst
ixpk= 1046, nxpk= 0, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1764,1765,
/
#
# 116 LEU QB 120 GLU HG3 5.66 (#peak 1047)
&rst
ixpk= 1047, nxpk= 0, iat= -1,1828, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1764,1765,
/
#
# 116 LEU QB 121 VAL QQG 4.18 (#peak 3656)
&rst
ixpk= 3656, nxpk= 0, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=1764,1765,
/
#
# 116 LEU QB 168 TYR QD 5.14 (#peak 3867)
&rst
ixpk= 3867, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1764,1765,
igr2=2573,2582,
/
#
# 116 LEU QB 168 TYR QE 5.72 (#peak 156)
&rst
ixpk= 156, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1764,1765,
igr2=2575,2580,
/
#
# 116 LEU QQD 120 GLU HA 4.86 (#peak 3910)
&rst
ixpk= 3910, nxpk= 0, iat=1766,1822, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, /
#
# 116 LEU QQD 120 GLU HB3 3.74 (#peak 3915)
&rst
ixpk= 3915, nxpk= 0, iat=1766,1825, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, /
#
# 116 LEU QQD 120 GLU HG2 3.24 (#peak 3916)
&rst
ixpk= 3916, nxpk= 0, iat=1766,1827, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, /
#
# 116 LEU QQD 120 GLU HG3 5.36 (#peak 1049)
&rst
ixpk= 1049, nxpk= 0, iat=1766,1828, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, /
#
# 116 LEU QQD 121 VAL HA 3.25 (#peak 3911)
&rst
ixpk= 3911, nxpk= 0, iat=1766,1837, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, /
#
# 116 LEU QQD 121 VAL HB 3.55 (#peak 2913)
&rst
ixpk= 2913, nxpk= 0, iat=1766,1839, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, /
#
# 116 LEU QQD 124 MET QE 3.65 (#peak 3921)
&rst
ixpk= 3921, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=1889,1890,1891,
/
#
# 116 LEU QQD 165 GLN HB2 4.90 (#peak 1019)
&rst
ixpk= 1019, nxpk= 0, iat=1766,2518, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60, /
#
# 116 LEU QQD 165 GLN QG 4.66 (#peak 1022)
&rst
ixpk= 1022, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr2=2521,2522,
/
#
# 116 LEU QQD 168 TYR HA 6.40 (#peak 3685)
&rst
ixpk= 3685, nxpk= 0, iat=1766,2567, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10, /
#
# 116 LEU QQD 168 TYR HB2 4.24 (#peak 3914)
&rst
ixpk= 3914, nxpk= 0, iat=1766,2569, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, /
#
# 116 LEU QQD 168 TYR HB3 3.73 (#peak 4568)
&rst
ixpk= 4568, nxpk= 0, iat=1766,2570, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, /
#
# 116 LEU QQD 168 TYR QD 3.09 (#peak 3799)
&rst
ixpk= 3799, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2573,2582,
/
#
# 116 LEU QQD 168 TYR QE 3.61 (#peak 194)
&rst
ixpk= 194, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2=2575,2580,
/
#
# 116 LEU QQD 169 ARG HA 5.69 (#peak 2633)
&rst
ixpk= 2633, nxpk= 0, iat=1766,2588, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39, /
#
# 116 LEU QQD 169 ARG QD 4.71 (#peak 2433)
&rst
ixpk= 2433, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr2=2596,2597,
/
#
# 117 THR HB 118 ASP QB 4.45 (#peak 1203)
&rst
ixpk= 1203, nxpk= 0, iat=1783, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1797,1798,
/
#
# 117 THR QG2 118 ASP QB 5.45 (#peak 4422)
&rst
ixpk= 4422, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1=1785,1786,1787,
igr2=1797,1798,
/
#
# 118 ASP HA 121 VAL QQG 3.45 (#peak 4349)
&rst
ixpk= 4349, nxpk= 0, iat=1795,1838, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, /
#
# 118 ASP QB 121 VAL QQG 5.31 (#peak 3659)
&rst
ixpk= 3659, nxpk= 0, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
igr1=1797,1798,
/
#
# 119 GLU HA 119 GLU QG 2.72 (#peak 2514)
&rst
ixpk= 2514, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr2=1812,1813,
/
#
# 119 GLU HA 122 ASP QB 3.04 (#peak 2622)
&rst
ixpk= 2622, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2=1855,1856,
/
#
# 120 GLU HA 121 VAL QQG 5.14 (#peak 4149)
&rst
ixpk= 4149, nxpk= 0, iat=1822,1838, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, /
#
# 120 GLU HA 172 LEU QQD 3.75 (#peak 4164)
&rst
ixpk= 4164, nxpk= 0, iat=1822,2661, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, /
#
# 120 GLU HB3 121 VAL QQG 4.14 (#peak 4207)
&rst
ixpk= 4207, nxpk= 0, iat=1825,1838, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, /
#
# 120 GLU HG2 172 LEU QQD 4.10 (#peak 1050)
&rst
ixpk= 1050, nxpk= 0, iat=1827,2661, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, /
#
# 120 GLU HG3 172 LEU QQD 3.51 (#peak 4160)
&rst
ixpk= 4160, nxpk= 0, iat=1828,2661, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, /
#
# 121 VAL HA 121 VAL QQG 2.77 (#peak 4011)
&rst
ixpk= 4011, nxpk= 0, iat=1837,1838, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, /
#
# 121 VAL QQG 122 ASP QB 3.66 (#peak 1408)
&rst
ixpk= 1408, nxpk= 0, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2=1855,1856,
/
#
# 121 VAL QQG 125 ILE QD1 3.73 (#peak 4020)
&rst
ixpk= 4020, nxpk= 0, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2=1908,1909,1910,
/
#
# 122 ASP HA 125 ILE QG1 4.34 (#peak 4700)
&rst
ixpk= 4700, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1905,1906,
/
#
# 122 ASP QB 125 ILE HB 6.07 (#peak 3511)
&rst
ixpk= 3511, nxpk= 0, iat= -1,1899, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1855,1856,
/
#
# 123 GLU HA 126 ARG QB 3.54 (#peak 2793)
&rst
ixpk= 2793, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1918,1919,
/
#
# 123 GLU HA 126 ARG QD 3.95 (#peak 4407)
&rst
ixpk= 4407, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1924,1925,
/
#
# 123 GLU HB2 172 LEU QQD 5.05 (#peak 3985)
&rst
ixpk= 3985, nxpk= 0, iat=1867,2661, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75, /
#
# 123 GLU HB3 123 GLU QG 2.45 (#peak 2501)
&rst
ixpk= 2501, nxpk= 0, iat=1868, -1, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,
igr2=1870,1871,
/
#
# 123 GLU HB3 172 LEU QQD 3.41 (#peak 3984)
&rst
ixpk= 3984, nxpk= 0, iat=1868,2661, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, /
#
# 123 GLU QG 124 MET HA 4.17 (#peak 2506)
&rst
ixpk= 2506, nxpk= 0, iat= -1,1880, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1870,1871,
/
#
# 123 GLU QG 124 MET HB2 5.85 (#peak 4113)
&rst
ixpk= 4113, nxpk= 0, iat= -1,1882, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=1870,1871,
/
#
# 123 GLU QG 168 TYR QE 3.88 (#peak 3443)
&rst
ixpk= 3443, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1870,1871,
igr2=2575,2580,
/
#
# 123 GLU QG 171 TYR QD 5.49 (#peak 3407)
&rst
ixpk= 3407, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1870,1871,
igr2=2642,2651,
/
#
# 123 GLU QG 171 TYR QE 5.17 (#peak 1791)
&rst
ixpk= 1791, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1870,1871,
igr2=2644,2649,
/
#
# 123 GLU QG 172 LEU HA 5.55 (#peak 3667)
&rst
ixpk= 3667, nxpk= 0, iat= -1,2657, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1870,1871,
/
#
# 123 GLU QG 172 LEU HG 5.13 (#peak 887)
&rst
ixpk= 887, nxpk= 0, iat= -1,2662, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1870,1871,
/
#
# 123 GLU QG 172 LEU QQD 3.55 (#peak 3983)
&rst
ixpk= 3983, nxpk= 0, iat= -1,2661, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=1870,1871,
/
#
# 124 MET HA 127 GLU QG 4.47 (#peak 1053)
&rst
ixpk= 1053, nxpk= 0, iat=1880, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1945,1946,
/
#
# 124 MET HB2 127 GLU QG 5.29 (#peak 4646)
&rst
ixpk= 4646, nxpk= 0, iat=1882, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1945,1946,
/
#
# 125 ILE HA 136 VAL QQG 4.01 (#peak 2323)
&rst
ixpk= 2323, nxpk= 0, iat=1897,2052, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, /
#
# 125 ILE HB 129 ASP QB 6.27 (#peak 3511)
&rst
ixpk= 3511, nxpk= 0, iat=1899, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2=1967,1968,
/
#
# 125 ILE HB 136 VAL QQG 5.24 (#peak 4073)
&rst
ixpk= 4073, nxpk= 0, iat=1899,2052, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94, /
#
# 125 ILE QG2 125 ILE QG1 2.74 (#peak 3205)
&rst
ixpk= 3205, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1=1901,1902,1903,
igr2=1905,1906,
/
#
# 125 ILE QG2 129 ASP QB 3.44 (#peak 2985)
&rst
ixpk= 2985, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1901,1902,1903,
igr2=1967,1968,
/
#
# 125 ILE QD1 129 ASP QB 5.30 (#peak 3507)
&rst
ixpk= 3507, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1908,1909,1910,
igr2=1967,1968,
/
#
# 126 ARG HA 126 ARG QG 3.41 (#peak 3026)
&rst
ixpk= 3026, nxpk= 0, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1921,1922,
/
#
# 126 ARG QB 126 ARG QD 3.03 (#peak 2666)
&rst
ixpk= 2666, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1918,1919,
igr2=1924,1925,
/
#
# 127 GLU HA 127 GLU QB 2.60 (#peak 4371)
&rst
ixpk= 4371, nxpk= 0, iat=1940, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2=1942,1943,
/
#
# 127 GLU HA 127 GLU QG 3.46 (#peak 4370)
&rst
ixpk= 4370, nxpk= 0, iat=1940, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1945,1946,
/
#
# 127 GLU QB 128 ALA HA 5.14 (#peak 4726)
&rst
ixpk= 4726, nxpk= 0, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1942,1943,
/
#
# 127 GLU QB 141 PHE QE 4.55 (#peak 1669)
&rst
ixpk= 1669, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1942,1943,
igr2=2140,2144,
/
#
# 127 GLU QB 144 MET QE 2.78 (#peak 2818)
&rst
ixpk= 2818, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1942,1943,
igr2=2194,2195,2196,
/
#
# 127 GLU QB 168 TYR QE 5.78 (#peak 1672)
&rst
ixpk= 1672, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1942,1943,
igr2=2575,2580,
/
#
# 127 GLU QB 171 TYR QE 4.67 (#peak 1671)
&rst
ixpk= 1671, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1942,1943,
igr2=2644,2649,
/
#
# 127 GLU QG 128 ALA HA 4.91 (#peak 4647)
&rst
ixpk= 4647, nxpk= 0, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1945,1946,
/
#
# 127 GLU QG 141 PHE QD 4.61 (#peak 1808)
&rst
ixpk= 1808, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1945,1946,
igr2=2138,2146,
/
#
# 127 GLU QG 144 MET QE 3.32 (#peak 3120)
&rst
ixpk= 3120, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1945,1946,
igr2=2194,2195,2196,
/
#
# 127 GLU QG 171 TYR QD 5.22 (#peak 3405)
&rst
ixpk= 3405, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1945,1946,
igr2=2642,2651,
/
#
# 127 GLU QG 171 TYR QE 4.48 (#peak 1809)
&rst
ixpk= 1809, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1945,1946,
igr2=2644,2649,
/
#
# 127 GLU QG 172 LEU QQD 5.79 (#peak 1812)
&rst
ixpk= 1812, nxpk= 0, iat= -1,2661, r1= 1.30, r2= 1.80, r3= 8.70, r4= 9.20,
igr1=1945,1946,
/
#
# 128 ALA HA 136 VAL QQG 4.43 (#peak 726)
&rst
ixpk= 726, nxpk= 0, iat=1955,2052, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, /
#
# 128 ALA HA 141 PHE QB 4.48 (#peak 1967)
&rst
ixpk= 1967, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=2134,2135,
/
#
# 128 ALA QB 129 ASP QB 5.33 (#peak 4725)
&rst
ixpk= 4725, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1=1957,1958,1959,
igr2=1967,1968,
/
#
# 128 ALA QB 136 VAL QQG 3.33 (#peak 2163)
&rst
ixpk= 2163, nxpk= 0, iat= -1,2052, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1957,1958,1959,
/
#
# 128 ALA QB 141 PHE QB 5.32 (#peak 4724)
&rst
ixpk= 4724, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1=1957,1958,1959,
igr2=2134,2135,
/
#
# 129 ASP HA 130 ILE QG1 6.27 (#peak 2276)
&rst
ixpk= 2276, nxpk= 0, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2=1985,1986,
/
#
# 129 ASP HA 136 VAL QQG 4.03 (#peak 738)
&rst
ixpk= 738, nxpk= 0, iat=1965,2052, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, /
#
# 129 ASP QB 136 VAL QQG 3.78 (#peak 3506)
&rst
ixpk= 3506, nxpk= 0, iat= -1,2052, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1967,1968,
/
#
# 130 ILE HA 130 ILE QG1 3.70 (#peak 2267)
&rst
ixpk= 2267, nxpk= 0, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1985,1986,
/
#
# 130 ILE QG2 130 ILE QG1 3.04 (#peak 3157)
&rst
ixpk= 3157, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1981,1982,1983,
igr2=1985,1986,
/
#
# 134 GLY HA2 136 VAL QQG 5.62 (#peak 1520)
&rst
ixpk= 1520, nxpk= 0, iat=2027,2052, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32, /
#
# 134 GLY HA3 136 VAL QQG 5.96 (#peak 1523)
&rst
ixpk= 1523, nxpk= 0, iat=2028,2052, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66, /
#
# 135 GLN HA 136 VAL QQG 5.39 (#peak 1075)
&rst
ixpk= 1075, nxpk= 0, iat=2034,2052, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09, /
#
# 135 GLN QB 135 GLN HG2 2.55 (#peak 1122)
&rst
ixpk= 1122, nxpk= 0, iat= -1,2039, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,
igr1=2036,2037,
/
#
# 135 GLN QB 137 ASN HA 5.69 (#peak 1948)
&rst
ixpk= 1948, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=2036,2037,
/
#
# 136 VAL QQG 137 ASN HA 4.37 (#peak 729)
&rst
ixpk= 729, nxpk= 0, iat=2052,2067, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, /
#
# 136 VAL QQG 137 ASN QB 5.27 (#peak 1061)
&rst
ixpk= 1061, nxpk= 0, iat=2052, -1, r1= 1.30, r2= 1.80, r3= 8.12, r4= 8.62,
igr2=2069,2070,
/
#
# 136 VAL QQG 138 TYR HA 3.43 (#peak 727)
&rst
ixpk= 727, nxpk= 0, iat=2052,2081, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, /
#
# 136 VAL QQG 138 TYR HB3 3.73 (#peak 4588)
&rst
ixpk= 4588, nxpk= 0, iat=2052,2084, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, /
#
# 136 VAL QQG 138 TYR QD 4.92 (#peak 3872)
&rst
ixpk= 3872, nxpk= 0, iat=2052, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr2=2087,2096,
/
#
# 136 VAL QQG 141 PHE HA 6.24 (#peak 725)
&rst
ixpk= 725, nxpk= 0, iat=2052,2132, r1= 1.30, r2= 1.80, r3= 8.44, r4= 8.94, /
#
# 136 VAL QQG 141 PHE QB 4.02 (#peak 732)
&rst
ixpk= 732, nxpk= 0, iat=2052, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2=2134,2135,
/
#
# 136 VAL QQG 141 PHE QD 3.58 (#peak 721)
&rst
ixpk= 721, nxpk= 0, iat=2052, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=2138,2146,
/
#
# 136 VAL QQG 141 PHE QE 4.77 (#peak 720)
&rst
ixpk= 720, nxpk= 0, iat=2052, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr2=2140,2144,
/
#
# 137 ASN QB 138 TYR HA 5.38 (#peak 4685)
&rst
ixpk= 4685, nxpk= 0, iat= -1,2081, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=2069,2070,
/
#
# 138 TYR HA 141 PHE QB 3.29 (#peak 2526)
&rst
ixpk= 2526, nxpk= 0, iat=2081, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=2134,2135,
/
#
# 138 TYR HB3 142 VAL QQG 5.21 (#peak 3294)
&rst
ixpk= 3294, nxpk= 0, iat=2084,2153, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, /
#
# 138 TYR QD 139 GLU QB 5.57 (#peak 863)
&rst
ixpk= 863, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1=2087,2096,
igr2=2104,2105,
/
#
# 138 TYR QD 139 GLU QG 4.56 (#peak 4626)
&rst
ixpk= 4626, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=2087,2096,
igr2=2107,2108,
/
#
# 138 TYR QD 141 PHE QB 4.73 (#peak 3883)
&rst
ixpk= 3883, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=2087,2096,
igr2=2134,2135,
/
#
# 138 TYR QD 142 VAL QQG 3.20 (#peak 3874)
&rst
ixpk= 3874, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=2087,2096,
/
#
# 138 TYR QE 139 GLU QB 5.96 (#peak 861)
&rst
ixpk= 861, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
igr1=2089,2094,
igr2=2104,2105,
/
#
# 138 TYR QE 139 GLU QG 4.36 (#peak 996)
&rst
ixpk= 996, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=2089,2094,
igr2=2107,2108,
/
#
# 138 TYR QE 142 VAL QQG 3.67 (#peak 3820)
&rst
ixpk= 3820, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=2089,2094,
/
#
# 139 GLU HA 139 GLU QG 3.39 (#peak 998)
&rst
ixpk= 998, nxpk= 0, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=2107,2108,
/
#
# 139 GLU HA 142 VAL QQG 3.35 (#peak 4340)
&rst
ixpk= 4340, nxpk= 0, iat=2102,2153, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, /
#
# 141 PHE HA 145 MET QB 5.61 (#peak 1764)
&rst
ixpk= 1764, nxpk= 0, iat=2132, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=2204,2205,
/
#
# 141 PHE QB 142 VAL HA 5.84 (#peak 1229)
&rst
ixpk= 1229, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=2134,2135,
/
#
# 141 PHE QB 142 VAL QQG 4.30 (#peak 4484)
&rst
ixpk= 4484, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr1=2134,2135,
/
#
# 141 PHE QB 144 MET QE 4.63 (#peak 2452)
&rst
ixpk= 2452, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=2134,2135,
igr2=2194,2195,2196,
/
#
# 141 PHE QB 145 MET QE 4.59 (#peak 2451)
&rst
ixpk= 2451, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=2134,2135,
igr2=2211,2212,2213,
/
#
# 141 PHE QE 164 ILE QG1 6.27 (#peak 1631)
&rst
ixpk= 1631, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1=2140,2144,
igr2=2505,2506,
/
#
# 142 VAL HA 142 VAL QQG 2.73 (#peak 4492)
&rst
ixpk= 4492, nxpk= 0, iat=2152,2153, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, /
#
# 142 VAL HA 145 MET QB 3.78 (#peak 1233)
&rst
ixpk= 1233, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=2204,2205,
/
#
# 142 VAL HA 145 MET QG 6.21 (#peak 1232)
&rst
ixpk= 1232, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2207,2208,
/
#
# 142 VAL QQG 143 GLN HA 3.49 (#peak 4342)
&rst
ixpk= 4342, nxpk= 0, iat=2153,2168, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, /
#
# 142 VAL QQG 143 GLN QB 4.74 (#peak 4486)
&rst
ixpk= 4486, nxpk= 0, iat=2153, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr2=2170,2171,
/
#
# 142 VAL QQG 143 GLN QG 5.70 (#peak 2868)
&rst
ixpk= 2868, nxpk= 0, iat=2153, -1, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10,
igr2=2173,2174,
/
#
# 142 VAL QQG 145 MET QE 4.72 (#peak 4562)
&rst
ixpk= 4562, nxpk= 0, iat=2153, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr2=2211,2212,2213,
/
#
# 142 VAL QQG 146 THR HB 4.96 (#peak 4196)
&rst
ixpk= 4196, nxpk= 0, iat=2153,2221, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, /
#
# 142 VAL QQG 164 ILE QG1 5.74 (#peak 1643)
&rst
ixpk= 1643, nxpk= 0, iat=2153, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr2=2505,2506,
/
#
# 142 VAL QQG 164 ILE QD1 5.93 (#peak 4820)
&rst
ixpk= 4820, nxpk= 0, iat=2153, -1, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82,
igr2=2508,2509,2510,
/
#
# 143 GLN HA 143 GLN QG 3.44 (#peak 1082)
&rst
ixpk= 1082, nxpk= 0, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=2173,2174,
/
#
# 145 MET QB 146 THR HA 5.14 (#peak 1766)
&rst
ixpk= 1766, nxpk= 0, iat= -1,2219, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=2204,2205,
/
#
# 145 MET QB 146 THR QG2 3.52 (#peak 4577)
&rst
ixpk= 4577, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=2204,2205,
igr2=2223,2224,2225,
/
#
# 145 MET QB 167 ALA QB 3.54 (#peak 3240)
&rst
ixpk= 3240, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=2204,2205,
igr2=2559,2560,2561,
/
#
# 145 MET QB 171 TYR HB2 4.50 (#peak 2129)
&rst
ixpk= 2129, nxpk= 0, iat= -1,2638, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2204,2205,
/
#
# 145 MET QB 171 TYR HB3 5.08 (#peak 2127)
&rst
ixpk= 2127, nxpk= 0, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=2204,2205,
/
#
# 145 MET QB 171 TYR QD 4.41 (#peak 1749)
&rst
ixpk= 1749, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2204,2205,
igr2=2642,2651,
/
#
# 145 MET QG 168 TYR QD 4.88 (#peak 1727)
&rst
ixpk= 1727, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=2207,2208,
igr2=2573,2582,
/
#
# 145 MET QG 171 TYR HB2 4.82 (#peak 2130)
&rst
ixpk= 2130, nxpk= 0, iat= -1,2638, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=2207,2208,
/
#
# 145 MET QG 171 TYR HB3 5.15 (#peak 2128)
&rst
ixpk= 2128, nxpk= 0, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=2207,2208,
/
#
# 145 MET QG 171 TYR QD 4.19 (#peak 3400)
&rst
ixpk= 3400, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=2207,2208,
igr2=2642,2651,
/
#
# 145 MET QE 164 ILE QG1 4.76 (#peak 1639)
&rst
ixpk= 1639, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=2211,2212,2213,
igr2=2505,2506,
/
#
# 152 SER HA 153 LYS QB 4.67 (#peak 4775)
&rst
ixpk= 4775, nxpk= 0, iat=2296, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2309,2310,
/
#
# 152 SER QB 153 LYS QB 4.51 (#peak 4315)
&rst
ixpk= 4315, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=2298,2299,
igr2=2309,2310,
/
#
# 153 LYS HA 153 LYS QE 5.49 (#peak 4781)
&rst
ixpk= 4781, nxpk= 0, iat=2307, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=2318,2319,
/
#
# 154 ARG HA 154 ARG QG 3.13 (#peak 994)
&rst
ixpk= 994, nxpk= 0, iat=2329, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=2334,2335,
/
#
# 154 ARG HA 154 ARG QD 3.11 (#peak 883)
&rst
ixpk= 883, nxpk= 0, iat=2329, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=2337,2338,
/
#
# 154 ARG QB 154 ARG QD 3.01 (#peak 2685)
&rst
ixpk= 2685, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1=2331,2332,
igr2=2337,2338,
/
#
# 154 ARG QG 154 ARG QD 2.28 (#peak 2684)
&rst
ixpk= 2684, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,
igr1=2334,2335,
igr2=2337,2338,
/
#
# 155 LYS HA 155 LYS QB 2.62 (#peak 4778)
&rst
ixpk= 4778, nxpk= 0, iat=2353, -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
igr2=2355,2356,
/
#
# 155 LYS HA 155 LYS QE 5.78 (#peak 4781)
&rst
ixpk= 4781, nxpk= 0, iat=2353, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=2364,2365,
/
#
# 156 GLN HA 159 VAL QQG 2.68 (#peak 3928)
&rst
ixpk= 3928, nxpk= 0, iat=2375,2423, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, /
#
# 156 GLN QB 156 GLN QG 2.30 (#peak 2763)
&rst
ixpk= 2763, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr1=2377,2378,
igr2=2380,2381,
/
#
# 156 GLN QG 157 GLU HA 4.17 (#peak 1610)
&rst
ixpk= 1610, nxpk= 0, iat= -1,2392, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=2380,2381,
/
#
# 156 GLN QG 159 VAL QQG 4.31 (#peak 4172)
&rst
ixpk= 4172, nxpk= 0, iat= -1,2423, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=2380,2381,
/
#
# 158 GLU HA 158 GLU QG 2.85 (#peak 2515)
&rst
ixpk= 2515, nxpk= 0, iat=2407, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2=2412,2413,
/
#
# 158 GLU QB 159 VAL HA 4.60 (#peak 2739)
&rst
ixpk= 2739, nxpk= 0, iat= -1,2422, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=2409,2410,
/
#
# 158 GLU QB 159 VAL QQG 4.25 (#peak 2770)
&rst
ixpk= 2770, nxpk= 0, iat= -1,2423, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=2409,2410,
/
#
# 159 VAL HA 159 VAL QQG 2.63 (#peak 2730)
&rst
ixpk= 2730, nxpk= 0, iat=2422,2423, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, /
#
# 159 VAL HA 162 ILE QG1 5.26 (#peak 4650)
&rst
ixpk= 4650, nxpk= 0, iat=2422, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2467,2468,
/
#
# 161 ALA HA 164 ILE QG1 5.16 (#peak 2328)
&rst
ixpk= 2328, nxpk= 0, iat=2449, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=2505,2506,
/
#
# 161 ALA HA 165 GLN QG 4.74 (#peak 2340)
&rst
ixpk= 2340, nxpk= 0, iat=2449, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2521,2522,
/
#
# 161 ALA QB 162 ILE QG1 4.12 (#peak 3191)
&rst
ixpk= 3191, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=2451,2452,2453,
igr2=2467,2468,
/
#
# 161 ALA QB 165 GLN QG 4.73 (#peak 3198)
&rst
ixpk= 3198, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=2451,2452,2453,
igr2=2521,2522,
/
#
# 162 ILE HA 162 ILE QG1 3.46 (#peak 4287)
&rst
ixpk= 4287, nxpk= 0, iat=2459, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=2467,2468,
/
#
# 162 ILE HA 165 GLN QG 3.76 (#peak 4285)
&rst
ixpk= 4285, nxpk= 0, iat=2459, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=2521,2522,
/
#
# 162 ILE HA 166 ARG QG 4.49 (#peak 4284)
&rst
ixpk= 4284, nxpk= 0, iat=2459, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=2538,2539,
/
#
# 162 ILE HA 166 ARG QD 4.95 (#peak 4292)
&rst
ixpk= 4292, nxpk= 0, iat=2459, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=2541,2542,
/
#
# 162 ILE HB 165 GLN QG 5.05 (#peak 4064)
&rst
ixpk= 4064, nxpk= 0, iat=2461, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2521,2522,
/
#
# 162 ILE HB 166 ARG QD 5.60 (#peak 4066)
&rst
ixpk= 4066, nxpk= 0, iat=2461, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=2541,2542,
/
#
# 162 ILE QG2 162 ILE QG1 3.05 (#peak 3096)
&rst
ixpk= 3096, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=2463,2464,2465,
igr2=2467,2468,
/
#
# 162 ILE QG2 165 GLN QG 3.90 (#peak 3012)
&rst
ixpk= 3012, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=2463,2464,2465,
igr2=2521,2522,
/
#
# 162 ILE QG2 166 ARG QG 3.29 (#peak 3099)
&rst
ixpk= 3099, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=2463,2464,2465,
igr2=2538,2539,
/
#
# 162 ILE QG2 166 ARG QD 3.02 (#peak 3088)
&rst
ixpk= 3088, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=2463,2464,2465,
igr2=2541,2542,
/
#
# 162 ILE QG1 165 GLN HB2 5.52 (#peak 4824)
&rst
ixpk= 4824, nxpk= 0, iat= -1,2518, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=2467,2468,
/
#
# 163 ILE HA 166 ARG QD 4.66 (#peak 2724)
&rst
ixpk= 2724, nxpk= 0, iat=2478, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=2541,2542,
/
#
# 163 ILE HB 164 ILE QG1 5.12 (#peak 4063)
&rst
ixpk= 4063, nxpk= 0, iat=2480, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2505,2506,
/
#
# 163 ILE QG2 163 ILE QG1 2.83 (#peak 3173)
&rst
ixpk= 3173, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=2482,2483,2484,
igr2=2486,2487,
/
#
# 164 ILE HA 164 ILE QG1 3.49 (#peak 2740)
&rst
ixpk= 2740, nxpk= 0, iat=2497, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=2505,2506,
/
#
# 164 ILE HB 165 GLN QG 5.40 (#peak 262)
&rst
ixpk= 262, nxpk= 0, iat=2499, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=2521,2522,
/
#
# 164 ILE QG2 164 ILE QG1 3.24 (#peak 671)
&rst
ixpk= 671, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=2501,2502,2503,
igr2=2505,2506,
/
#
# 164 ILE QG2 165 GLN QG 4.68 (#peak 661)
&rst
ixpk= 661, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=2501,2502,2503,
igr2=2521,2522,
/
#
# 164 ILE QD1 165 GLN QG 6.01 (#peak 35)
&rst
ixpk= 35, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60,
igr1=2508,2509,2510,
igr2=2521,2522,
/
#
# 165 GLN HA 165 GLN QG 3.61 (#peak 1036)
&rst
ixpk= 1036, nxpk= 0, iat=2516, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=2521,2522,
/
#
# 165 GLN HB2 166 ARG QG 4.75 (#peak 4549)
&rst
ixpk= 4549, nxpk= 0, iat=2518, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2538,2539,
/
#
# 166 ARG HA 166 ARG QD 4.18 (#peak 1149)
&rst
ixpk= 1149, nxpk= 0, iat=2533, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=2541,2542,
/
#
# 166 ARG HB2 166 ARG QD 3.58 (#peak 1140)
&rst
ixpk= 1140, nxpk= 0, iat=2535, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=2541,2542,
/
#
# 167 ALA HA 170 ARG QG 4.55 (#peak 4529)
&rst
ixpk= 4529, nxpk= 0, iat=2557, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=2617,2618,
/
#
# 168 TYR HB2 172 LEU QQD 5.62 (#peak 2138)
&rst
ixpk= 2138, nxpk= 0, iat=2569,2661, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32, /
#
# 168 TYR HB3 169 ARG QB 5.37 (#peak 2139)
&rst
ixpk= 2139, nxpk= 0, iat=2570, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=2590,2591,
/
#
# 168 TYR HB3 172 LEU QQD 5.59 (#peak 2116)
&rst
ixpk= 2116, nxpk= 0, iat=2570,2661, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29, /
#
# 168 TYR QD 169 ARG QG 5.33 (#peak 2639)
&rst
ixpk= 2639, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1=2573,2582,
igr2=2593,2594,
/
#
# 168 TYR QD 172 LEU QQD 3.26 (#peak 829)
&rst
ixpk= 829, nxpk= 0, iat= -1,2661, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=2573,2582,
/
#
# 168 TYR QE 169 ARG QG 6.27 (#peak 1679)
&rst
ixpk= 1679, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1=2575,2580,
igr2=2593,2594,
/
#
# 169 ARG HA 169 ARG QG 3.22 (#peak 2638)
&rst
ixpk= 2638, nxpk= 0, iat=2588, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=2593,2594,
/
#
# 169 ARG HA 172 LEU QQD 3.39 (#peak 2630)
&rst
ixpk= 2630, nxpk= 0, iat=2588,2661, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, /
#
# 169 ARG QG 172 LEU QQD 4.70 (#peak 2654)
&rst
ixpk= 2654, nxpk= 0, iat= -1,2661, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr1=2593,2594,
/
#
# 169 ARG QD 172 LEU QQD 3.83 (#peak 4478)
&rst
ixpk= 4478, nxpk= 0, iat= -1,2661, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=2596,2597,
/
#
# 170 ARG HA 170 ARG QG 3.12 (#peak 3019)
&rst
ixpk= 3019, nxpk= 0, iat=2612, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2=2617,2618,
/
#
# 170 ARG HA 170 ARG QD 3.09 (#peak 4410)
&rst
ixpk= 4410, nxpk= 0, iat=2612, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=2620,2621,
/
#
# 170 ARG HA 173 LEU QQD 3.60 (#peak 4147)
&rst
ixpk= 4147, nxpk= 0, iat=2612,2680, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, /
#
# 170 ARG HB3 170 ARG QD 3.45 (#peak 4717)
&rst
ixpk= 4717, nxpk= 0, iat=2615, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=2620,2621,
/
#
# 170 ARG QG 171 TYR HA 4.37 (#peak 4528)
&rst
ixpk= 4528, nxpk= 0, iat= -1,2636, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=2617,2618,
/
#
# 170 ARG QD 173 LEU QQD 4.25 (#peak 3037)
&rst
ixpk= 3037, nxpk= 0, iat= -1,2680, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=2620,2621,
/
#
# 171 TYR HA 172 LEU QQD 5.82 (#peak 4336)
&rst
ixpk= 4336, nxpk= 0, iat=2636,2661, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52, /
#
# 171 TYR HA 174 LYS QB 3.44 (#peak 2205)
&rst
ixpk= 2205, nxpk= 0, iat=2636, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=2697,2698,
/
#
# 171 TYR HA 174 LYS QD 4.02 (#peak 2206)
&rst
ixpk= 2206, nxpk= 0, iat=2636, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=2703,2704,
/
#
# 171 TYR HA 174 LYS QE 4.62 (#peak 2203)
&rst
ixpk= 2203, nxpk= 0, iat=2636, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2706,2707,
/
#
# 171 TYR HB2 172 LEU QQD 6.40 (#peak 2111)
&rst
ixpk= 2111, nxpk= 0, iat=2638,2661, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10, /
#
# 171 TYR HB3 172 LEU QQD 5.14 (#peak 2112)
&rst
ixpk= 2112, nxpk= 0, iat=2639,2661, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, /
#
# 171 TYR QD 172 LEU QQD 3.26 (#peak 2108)
&rst
ixpk= 2108, nxpk= 0, iat= -1,2661, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=2642,2651,
/
#
# 171 TYR QD 174 LYS QB 4.29 (#peak 1725)
&rst
ixpk= 1725, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=2642,2651,
igr2=2697,2698,
/
#
# 171 TYR QD 174 LYS QG 5.84 (#peak 3403)
&rst
ixpk= 3403, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1=2642,2651,
igr2=2700,2701,
/
#
# 171 TYR QD 174 LYS QD 4.03 (#peak 1659)
&rst
ixpk= 1659, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=2642,2651,
igr2=2703,2704,
/
#
# 171 TYR QD 174 LYS QE 4.56 (#peak 3412)
&rst
ixpk= 3412, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=2642,2651,
igr2=2706,2707,
/
#
# 171 TYR QD 175 GLN QG 4.15 (#peak 1127)
&rst
ixpk= 1127, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=2642,2651,
igr2=2722,2723,
/
#
# 171 TYR QE 174 LYS QD 4.62 (#peak 1660)
&rst
ixpk= 1660, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=2644,2649,
igr2=2703,2704,
/
#
# 171 TYR QE 175 GLN QG 3.65 (#peak 1126)
&rst
ixpk= 1126, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=2644,2649,
igr2=2722,2723,
/
#
# 172 LEU HA 172 LEU QQD 2.64 (#peak 2048)
&rst
ixpk= 2048, nxpk= 0, iat=2657,2661, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, /
#
# 172 LEU HA 175 GLN QB 4.29 (#peak 2045)
&rst
ixpk= 2045, nxpk= 0, iat=2657, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=2719,2720,
/
#
# 172 LEU HA 175 GLN QG 3.39 (#peak 1120)
&rst
ixpk= 1120, nxpk= 0, iat=2657, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=2722,2723,
/
#
# 172 LEU HB3 172 LEU QQD 3.12 (#peak 3980)
&rst
ixpk= 3980, nxpk= 0, iat=2660,2661, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, /
#
# 172 LEU HG 175 GLN QG 5.77 (#peak 4123)
&rst
ixpk= 4123, nxpk= 0, iat=2662, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr2=2722,2723,
/
#
# 172 LEU QQD 175 GLN QG 3.79 (#peak 1123)
&rst
ixpk= 1123, nxpk= 0, iat=2661, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=2722,2723,
/
#
# 173 LEU HA 173 LEU QQD 2.63 (#peak 3995)
&rst
ixpk= 3995, nxpk= 0, iat=2676,2680, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, /
#
# 173 LEU QB 173 LEU QQD 2.50 (#peak 173)
&rst
ixpk= 173, nxpk= 0, iat= -1,2680, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=2678,2679,
/
#
# 174 LYS HA 174 LYS QG 2.76 (#peak 4007)
&rst
ixpk= 4007, nxpk= 0, iat=2695, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr2=2700,2701,
/
Contact the webmaster for help, if required. Thursday, May 2, 2024 12:30:39 PM GMT (wattos1)