NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
582775 |
2ruh   |
11569 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
# 4 PHE QD 79 ILE QG2 5.28 (#peak 2160 #SUP 0.96 #QF 0.82)
&rst
ixpk= 2160, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
igr1= 67, 75,
igr2=1271,1272,1273,
&end
#
# 4 PHE QD 80 MET QB 4.54 (#peak 2358 #SUP 0.74 #QF 0.74)
&rst
ixpk= 2358, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 67, 75,
igr2=1288,1289,
&end
#
# 4 PHE QD 80 MET QG 4.26 (#peak 2349)
&rst
ixpk= 2349, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 67, 75,
igr2=1291,1292,
&end
#
# 4 PHE QE 76 GLY HA2 4.52 (#peak 2351 #SUP 0.77 #QF 0.77)
&rst
ixpk= 2351, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 69, 73,
&end
#
# 4 PHE QE 79 ILE HB 4.39 (#peak 2353 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2353, nxpk= 0, iat= -1,1269, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 69, 73,
&end
#
# 4 PHE QE 79 ILE QD1 4.01 (#peak 2354 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2354, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 69, 73,
igr2=1278,1279,1280,
&end
#
# 4 PHE QE 79 ILE QG2 4.87 (#peak 2356 #SUP 1.00)
&rst
ixpk= 2356, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 69, 73,
igr2=1271,1272,1273,
&end
#
# 4 PHE QE 80 MET HN 4.81 (#peak 488 #SUP 0.87 #QF 0.87)
&rst
ixpk= 488, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 69, 73,
&end
#
# 4 PHE QE 80 MET QE 4.78 (#peak 1169 #SUP 0.76 #QF 0.27)
&rst
ixpk= 1169, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 69, 73,
igr2=1295,1296,1297,
&end
#
# 4 PHE QE 111 VAL QG2 5.50 (#peak 2357 #SUP 0.82 #QF 0.59)
&rst
ixpk= 2357, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 69, 73,
igr2=1790,1791,1792,
&end
#
# 5 TRP HA 5 TRP HE3 4.24 (#peak 2152 #SUP 1.00)
&rst
ixpk= 2152, nxpk= 0, iat= 81, 98, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 5 TRP HA 8 TRP HB2 4.55 (#peak 2334 #SUP 0.92 #QF 0.72)
&rst
ixpk= 2334, nxpk= 0, iat= 81, 143, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 5 TRP HA 8 TRP HB3 4.55 (#peak 2334 #SUP 0.92 #QF 0.72)
&rst
ixpk= 2334, nxpk= 0, iat= 81, 144, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 5 TRP HA 8 TRP HN 4.50 (#peak 2153 #SUP 0.73 #QF 0.73)
&rst
ixpk= 2153, nxpk= 0, iat= 81, 139, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 TRP HA 8 TRP QB 3.97 (#peak 2334)
&rst
ixpk= 2334, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 143, 144,
&end
#
# 5 TRP HA 80 MET QE 4.50 (#peak 1170 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1170, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1295,1296,1297,
&end
#
# 5 TRP HD1 9 LEU QD1 4.73 (#peak 60 #SUP 0.86 #QF 0.86)
&rst
ixpk= 60, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 172, 173, 174,
&end
#
# 5 TRP HD1 9 LEU QD2 4.20 (#peak 73 #SUP 0.99 #QF 0.99)
&rst
ixpk= 73, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 176, 177, 178,
&end
#
# 5 TRP HD1 80 MET QE 5.13 (#peak 1168 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1168, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1295,1296,1297,
&end
#
# 5 TRP HE1 9 LEU QD1 3.30 (#peak 51 #SUP 0.97 #QF 0.97)
&rst
ixpk= 51, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 172, 173, 174,
&end
#
# 5 TRP HE1 9 LEU QD2 3.58 (#peak 901 #SUP 1.00)
&rst
ixpk= 901, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 176, 177, 178,
&end
#
# 5 TRP HE3 80 MET QE 4.07 (#peak 1167 #SUP 0.90 #QF 0.43)
&rst
ixpk= 1167, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1295,1296,1297,
&end
#
# 5 TRP HH2 12 MET QE 3.93 (#peak 1944 #SUP 0.57 #QF 0.57)
&rst
ixpk= 1944, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 236, 237, 238,
&end
#
# 5 TRP HZ2 9 LEU QD1 3.78 (#peak 59 #SUP 0.97 #QF 0.97)
&rst
ixpk= 59, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 172, 173, 174,
&end
#
# 5 TRP HZ2 12 MET QE 4.29 (#peak 1943 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1943, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 236, 237, 238,
&end
#
# 5 TRP HZ2 73 PHE QD 4.33 (#peak 956 #SUP 0.92 #QF 0.92)
&rst
ixpk= 956, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1168,1176,
&end
#
# 5 TRP HZ3 80 MET QE 4.97 (#peak 1169 #SUP 0.76 #QF 0.27)
&rst
ixpk= 1169, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1295,1296,1297,
&end
#
# 5 TRP QB 80 MET QE 4.47 (#peak 1173)
&rst
ixpk= 1173, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 83, 84,
igr2=1295,1296,1297,
&end
#
# 6 GLU- HA 6 GLU- HG2 4.11 (#peak 133 #SUP 1.00)
&rst
ixpk= 133, nxpk= 0, iat= 105, 110, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 6 GLU- HA 6 GLU- HG3 4.11 (#peak 132 #SUP 0.94 #QF 0.94)
&rst
ixpk= 132, nxpk= 0, iat= 105, 111, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 6 GLU- HA 9 LEU HB2 4.35 (#peak 55 #SUP 0.92 #QF 0.92)
&rst
ixpk= 55, nxpk= 0, iat= 105, 167, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 6 GLU- HA 9 LEU HB3 4.35 (#peak 135 #SUP 0.89 #QF 0.89)
&rst
ixpk= 135, nxpk= 0, iat= 105, 168, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 6 GLU- HA 9 LEU HN 4.25 (#peak 25 #SUP 0.94 #QF 0.94)
&rst
ixpk= 25, nxpk= 0, iat= 105, 163, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 6 GLU- HA 9 LEU QD1 5.13 (#peak 2129 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2129, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 172, 173, 174,
&end
#
# 6 GLU- HA 9 LEU QD2 3.64 (#peak 74 #SUP 0.97 #QF 0.97)
&rst
ixpk= 74, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 176, 177, 178,
&end
#
# 6 GLU- HB2 7 TYR HN 4.19 (#peak 137 #SUP 0.95 #QF 0.95)
&rst
ixpk= 137, nxpk= 0, iat= 107, 118, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 6 GLU- HB3 7 TYR HN 4.19 (#peak 63 #SUP 0.93 #QF 0.93)
&rst
ixpk= 63, nxpk= 0, iat= 108, 118, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 6 GLU- HN 6 GLU- HB2 3.86 (#peak 69 #SUP 0.90 #QF 0.90)
&rst
ixpk= 69, nxpk= 0, iat= 103, 107, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 6 GLU- HN 6 GLU- HB3 3.86 (#peak 140 #SUP 1.00)
&rst
ixpk= 140, nxpk= 0, iat= 103, 108, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 6 GLU- HN 6 GLU- HG2 4.31 (#peak 68 #SUP 1.00 #QF 0.99)
&rst
ixpk= 68, nxpk= 0, iat= 103, 110, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 6 GLU- HN 6 GLU- HG3 4.31 (#peak 67 #SUP 0.99 #QF 0.99)
&rst
ixpk= 67, nxpk= 0, iat= 103, 111, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 6 GLU- HN 6 GLU- QG 3.66 (#peak 67)
&rst
ixpk= 67, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 110, 111,
&end
#
# 6 GLU- HN 7 TYR HA 5.50 (#peak 118 #SUP 0.95 #QF 0.85)
&rst
ixpk= 118, nxpk= 0, iat= 103, 120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 GLU- HN 7 TYR HN 3.50 (#peak 56 #SUP 0.97 #QF 0.97)
&rst
ixpk= 56, nxpk= 0, iat= 103, 118, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 GLU- HN 8 TRP HN 4.68 (#peak 34 #SUP 0.99 #QF 0.99)
&rst
ixpk= 34, nxpk= 0, iat= 103, 139, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 6 GLU- QB 7 TYR HN 3.57 (#peak 63)
&rst
ixpk= 63, nxpk= 0, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 107, 108,
&end
#
# 6 GLU- QG 7 TYR HN 5.34 (#peak 62)
&rst
ixpk= 62, nxpk= 0, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 110, 111,
&end
#
# 7 TYR HA 7 TYR QD 3.87 (#peak 117 #SUP 1.00)
&rst
ixpk= 117, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 126, 135,
&end
#
# 7 TYR HA 10 ARG+ HN 4.47 (#peak 906 #SUP 0.77 #QF 0.77)
&rst
ixpk= 906, nxpk= 0, iat= 120, 182, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 7 TYR HA 10 ARG+ QB 4.57 (#peak 114 #SUP 0.66 #QF 0.66)
&rst
ixpk= 114, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 186, 187,
&end
#
# 7 TYR HA 11 LEU HN 5.50 (#peak 118 #SUP 0.95 #QF 0.85)
&rst
ixpk= 118, nxpk= 0, iat= 120, 206, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 TYR HB2 8 TRP HN 4.68 (#peak 860 #SUP 1.00)
&rst
ixpk= 860, nxpk= 0, iat= 122, 139, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 7 TYR HB2 111 VAL QG1 4.02 (#peak 1720 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1720, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1786,1787,1788,
&end
#
# 7 TYR HB2 111 VAL QG2 4.69 (#peak 1738 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1738, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1790,1791,1792,
&end
#
# 7 TYR HB3 8 TRP HN 4.68 (#peak 859 #SUP 0.86 #QF 0.86)
&rst
ixpk= 859, nxpk= 0, iat= 123, 139, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 7 TYR HB3 111 VAL QG1 4.02 (#peak 1719 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1719, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1786,1787,1788,
&end
#
# 7 TYR HB3 111 VAL QG2 4.69 (#peak 1737 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1737, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1790,1791,1792,
&end
#
# 7 TYR HN 7 TYR HB2 4.12 (#peak 61 #SUP 0.99 #QF 0.99)
&rst
ixpk= 61, nxpk= 0, iat= 118, 122, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 7 TYR HN 7 TYR HB3 4.12 (#peak 60 #SUP 0.92 #QF 0.92)
&rst
ixpk= 60, nxpk= 0, iat= 118, 123, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 7 TYR HN 7 TYR QB 3.57 (#peak 60)
&rst
ixpk= 60, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 122, 123,
&end
#
# 7 TYR HN 7 TYR QD 3.91 (#peak 57 #SUP 0.91 #QF 0.91)
&rst
ixpk= 57, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 126, 135,
&end
#
# 7 TYR HN 8 TRP HN 3.75 (#peak 32 #SUP 1.00)
&rst
ixpk= 32, nxpk= 0, iat= 118, 139, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 7 TYR HN 8 TRP QB 5.34 (#peak 62)
&rst
ixpk= 62, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 143, 144,
&end
#
# 7 TYR HN 9 LEU HN 4.75 (#peak 55 #SUP 0.91 #QF 0.91)
&rst
ixpk= 55, nxpk= 0, iat= 118, 163, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 7 TYR QB 8 TRP HN 3.99 (#peak 859)
&rst
ixpk= 859, nxpk= 0, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 122, 123,
&end
#
# 7 TYR QB 111 VAL QG1 3.36 (#peak 1720)
&rst
ixpk= 1720, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 122, 123,
igr2=1786,1787,1788,
&end
#
# 7 TYR QB 111 VAL QG2 4.11 (#peak 1738)
&rst
ixpk= 1738, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 122, 123,
igr2=1790,1791,1792,
&end
#
# 7 TYR QD 8 TRP HN 4.79 (#peak 2145 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2145, nxpk= 0, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 126, 135,
&end
#
# 7 TYR QD 111 VAL QG1 4.34 (#peak 1716 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1716, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 126, 135,
igr2=1786,1787,1788,
&end
#
# 7 TYR QD 111 VAL QG2 5.44 (#peak 1730 #SUP 0.75 #QF 0.40)
&rst
ixpk= 1730, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 126, 135,
igr2=1790,1791,1792,
&end
#
# 7 TYR QD 112 LYS+ QE 4.53 (#peak 2103)
&rst
ixpk= 2103, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 126, 135,
igr2=1809,1810,
&end
#
# 7 TYR QE 111 VAL QG1 5.50 (#peak 1715 #SUP 0.99 #QF 0.49)
&rst
ixpk= 1715, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 128, 133,
igr2=1786,1787,1788,
&end
#
# 7 TYR QE 112 LYS+ HE2 4.53 (#peak 2104 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2104, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 128, 133,
&end
#
# 7 TYR QE 112 LYS+ HE3 4.53 (#peak 2102 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2102, nxpk= 0, iat= -1,1810, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 128, 133,
&end
#
# 7 TYR QE 112 LYS+ QD 5.34 (#peak 129)
&rst
ixpk= 129, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 128, 133,
igr2=1806,1807,
&end
#
# 7 TYR QE 112 LYS+ QE 3.82 (#peak 2102)
&rst
ixpk= 2102, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 128, 133,
igr2=1809,1810,
&end
#
# 8 TRP HA 8 TRP HE3 4.09 (#peak 98 #SUP 0.92 #QF 0.92)
&rst
ixpk= 98, nxpk= 0, iat= 141, 158, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 8 TRP HA 11 LEU HB2 3.91 (#peak 96 #SUP 0.94 #QF 0.94)
&rst
ixpk= 96, nxpk= 0, iat= 141, 210, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 8 TRP HA 11 LEU HB3 4.97 (#peak 34 #SUP 0.82 #QF 0.82)
&rst
ixpk= 34, nxpk= 0, iat= 141, 211, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 8 TRP HA 11 LEU HN 4.23 (#peak 97 #SUP 0.97 #QF 0.97)
&rst
ixpk= 97, nxpk= 0, iat= 141, 206, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 8 TRP HA 11 LEU QD1 4.19 (#peak 6 #SUP 1.00)
&rst
ixpk= 6, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 215, 216, 217,
&end
#
# 8 TRP HA 111 VAL QG1 3.57 (#peak 1718 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1718, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1786,1787,1788,
&end
#
# 8 TRP HA 111 VAL QG2 5.45 (#peak 1736 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1736, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=1790,1791,1792,
&end
#
# 8 TRP HD1 12 MET QE 3.23 (#peak 1946 #SUP 0.49 #QF 0.49)
&rst
ixpk= 1946, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 236, 237, 238,
&end
#
# 8 TRP HE1 11 LEU QD1 4.63 (#peak 49 #SUP 0.88 #QF 0.88)
&rst
ixpk= 49, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 215, 216, 217,
&end
#
# 8 TRP HE1 12 MET QE 4.39 (#peak 1937 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1937, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 236, 237, 238,
&end
#
# 8 TRP HE1 72 LEU HA 4.58 (#peak 43 #SUP 0.93 #QF 0.93)
&rst
ixpk= 43, nxpk= 0, iat= 149,1143, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 8 TRP HE1 72 LEU QB 4.20 (#peak 857)
&rst
ixpk= 857, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1145,1146,
&end
#
# 8 TRP HE1 72 LEU QD2 4.27 (#peak 48 #SUP 0.99 #QF 0.99)
&rst
ixpk= 48, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1154,1155,1156,
&end
#
# 8 TRP HE1 73 PHE HA 4.58 (#peak 42 #SUP 0.90 #QF 0.90)
&rst
ixpk= 42, nxpk= 0, iat= 149,1162, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 8 TRP HE1 75 LEU QB 4.14 (#peak 47)
&rst
ixpk= 47, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1205,1206,
&end
#
# 8 TRP HE1 76 GLY HA2 4.09 (#peak 45 #SUP 0.90 #QF 0.90)
&rst
ixpk= 45, nxpk= 0, iat= 149,1222, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 8 TRP HE1 76 GLY HA3 4.13 (#peak 44 #SUP 0.96 #QF 0.96)
&rst
ixpk= 44, nxpk= 0, iat= 149,1223, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 8 TRP HE1 76 GLY HN 3.73 (#peak 38 #SUP 0.98 #QF 0.98)
&rst
ixpk= 38, nxpk= 0, iat= 149,1220, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 8 TRP HE1 77 GLN HN 5.34 (#peak 50 #SUP 0.87 #QF 0.87)
&rst
ixpk= 50, nxpk= 0, iat= 149,1227, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 8 TRP HE3 11 LEU QD1 4.21 (#peak 14 #SUP 0.91 #QF 0.91)
&rst
ixpk= 14, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 215, 216, 217,
&end
#
# 8 TRP HE3 79 ILE QD1 4.81 (#peak 1117 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1117, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1278,1279,1280,
&end
#
# 8 TRP HE3 111 VAL QG1 3.51 (#peak 1711 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1711, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1786,1787,1788,
&end
#
# 8 TRP HE3 111 VAL QG2 3.43 (#peak 1728 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1728, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1790,1791,1792,
&end
#
# 8 TRP HH2 11 LEU QD1 4.17 (#peak 11 #SUP 0.98 #QF 0.98)
&rst
ixpk= 11, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 215, 216, 217,
&end
#
# 8 TRP HH2 72 LEU QD2 5.39 (#peak 910 #SUP 1.00 #QF 0.98)
&rst
ixpk= 910, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1154,1155,1156,
&end
#
# 8 TRP HH2 75 LEU HG 4.54 (#peak 111 #SUP 0.73 #QF 0.73)
&rst
ixpk= 111, nxpk= 0, iat= 154,1208, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 8 TRP HH2 75 LEU QD2 3.96 (#peak 112 #SUP 0.99 #QF 0.99)
&rst
ixpk= 112, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1214,1215,1216,
&end
#
# 8 TRP HH2 79 ILE QD1 3.66 (#peak 2335 #SUP 0.98 #QF 0.97)
&rst
ixpk= 2335, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1278,1279,1280,
&end
#
# 8 TRP HH2 93 VAL QQG 5.18 (#peak 2155)
&rst
ixpk= 2155, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 8 TRP HH2 111 VAL QG2 4.98 (#peak 2154 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2154, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1790,1791,1792,
&end
#
# 8 TRP HH2 117 ILE QD1 4.43 (#peak 2310 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2310, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1909,1910,1911,
&end
#
# 8 TRP HH2 117 ILE QG2 3.82 (#peak 1979 #SUP 0.89 #QF 0.73)
&rst
ixpk= 1979, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1902,1903,1904,
&end
#
# 8 TRP HN 8 TRP HB2 4.12 (#peak 567 #SUP 0.89 #QF 0.72)
&rst
ixpk= 567, nxpk= 0, iat= 139, 143, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 8 TRP HN 8 TRP HB3 4.12 (#peak 567 #SUP 0.89 #QF 0.72)
&rst
ixpk= 567, nxpk= 0, iat= 139, 144, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 8 TRP HN 8 TRP QB 3.42 (#peak 567)
&rst
ixpk= 567, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 143, 144,
&end
#
# 8 TRP HN 9 LEU HN 3.96 (#peak 853 #SUP 0.98 #QF 0.98)
&rst
ixpk= 853, nxpk= 0, iat= 139, 163, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 8 TRP HN 10 ARG+ HN 5.50 (#peak 33 #SUP 0.93 #QF 0.88)
&rst
ixpk= 33, nxpk= 0, iat= 139, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 TRP HN 111 VAL QG1 4.41 (#peak 1725 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1725, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1786,1787,1788,
&end
#
# 8 TRP HZ2 72 LEU HA 4.48 (#peak 88 #SUP 0.91 #QF 0.91)
&rst
ixpk= 88, nxpk= 0, iat= 152,1143, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 8 TRP HZ2 72 LEU QD2 3.44 (#peak 909 #SUP 0.88 #QF 0.88)
&rst
ixpk= 909, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1154,1155,1156,
&end
#
# 8 TRP HZ2 75 LEU HG 4.22 (#peak 86 #SUP 0.93 #QF 0.89)
&rst
ixpk= 86, nxpk= 0, iat= 152,1208, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 8 TRP HZ2 75 LEU QB 3.74 (#peak 887)
&rst
ixpk= 887, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1205,1206,
&end
#
# 8 TRP HZ2 75 LEU QD2 3.72 (#peak 1022 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1022, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1214,1215,1216,
&end
#
# 8 TRP HZ2 76 GLY HN 4.32 (#peak 445 #SUP 0.85 #QF 0.85)
&rst
ixpk= 445, nxpk= 0, iat= 152,1220, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 8 TRP HZ2 79 ILE QD1 4.45 (#peak 92 #SUP 1.00 #QF 0.97)
&rst
ixpk= 92, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1278,1279,1280,
&end
#
# 8 TRP HZ3 11 LEU QD1 4.02 (#peak 12 #SUP 0.98 #QF 0.98)
&rst
ixpk= 12, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 215, 216, 217,
&end
#
# 8 TRP HZ3 79 ILE QD1 3.87 (#peak 1106 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1106, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1278,1279,1280,
&end
#
# 8 TRP HZ3 93 VAL QQG 3.91 (#peak 1996)
&rst
ixpk= 1996, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 8 TRP HZ3 109 PHE HZ 4.02 (#peak 1693 #SUP 0.64 #QF 0.64)
&rst
ixpk= 1693, nxpk= 0, iat= 156,1761, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 8 TRP HZ3 111 VAL QG1 3.77 (#peak 1713 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1713, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1786,1787,1788,
&end
#
# 8 TRP HZ3 111 VAL QG2 3.29 (#peak 1729 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1729, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1790,1791,1792,
&end
#
# 8 TRP HZ3 117 ILE QD1 4.07 (#peak 1815 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1815, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1909,1910,1911,
&end
#
# 8 TRP QB 9 LEU HN 3.83 (#peak 26)
&rst
ixpk= 26, nxpk= 0, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 143, 144,
&end
#
# 8 TRP QB 111 VAL QG1 4.56 (#peak 84)
&rst
ixpk= 84, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 143, 144,
igr2=1786,1787,1788,
&end
#
# 9 LEU HA 9 LEU QD1 3.02 (#peak 61 #SUP 0.96 #QF 0.96)
&rst
ixpk= 61, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 172, 173, 174,
&end
#
# 9 LEU HA 9 LEU QD2 4.00 (#peak 75 #SUP 1.00)
&rst
ixpk= 75, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 176, 177, 178,
&end
#
# 9 LEU HA 12 MET HN 4.70 (#peak 66 #SUP 0.92 #QF 0.92)
&rst
ixpk= 66, nxpk= 0, iat= 165, 225, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 9 LEU HA 12 MET QE 3.26 (#peak 1949 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1949, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 236, 237, 238,
&end
#
# 9 LEU HA 12 MET QG 3.98 (#peak 68)
&rst
ixpk= 68, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 232, 233,
&end
#
# 9 LEU HB2 9 LEU QD1 3.56 (#peak 63 #SUP 0.98 #QF 0.98)
&rst
ixpk= 63, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 172, 173, 174,
&end
#
# 9 LEU HB2 9 LEU QD2 3.35 (#peak 76 #SUP 0.99 #QF 0.99)
&rst
ixpk= 76, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 176, 177, 178,
&end
#
# 9 LEU HB2 10 ARG+ HN 4.43 (#peak 20 #SUP 0.94 #QF 0.94)
&rst
ixpk= 20, nxpk= 0, iat= 167, 182, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 9 LEU HB3 9 LEU QD1 3.56 (#peak 52 #SUP 0.96 #QF 0.96)
&rst
ixpk= 52, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 172, 173, 174,
&end
#
# 9 LEU HB3 9 LEU QD2 3.35 (#peak 77 #SUP 0.79 #QF 0.79)
&rst
ixpk= 77, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 176, 177, 178,
&end
#
# 9 LEU HB3 10 ARG+ HN 4.43 (#peak 22 #SUP 0.67 #QF 0.67)
&rst
ixpk= 22, nxpk= 0, iat= 168, 182, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 9 LEU HN 9 LEU HB2 3.91 (#peak 27 #SUP 0.96 #QF 0.96)
&rst
ixpk= 27, nxpk= 0, iat= 163, 167, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 9 LEU HN 9 LEU HB3 3.91 (#peak 46 #SUP 0.99 #QF 0.99)
&rst
ixpk= 46, nxpk= 0, iat= 163, 168, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 9 LEU HN 9 LEU HG 4.60 (#peak 29 #SUP 0.96 #QF 0.96)
&rst
ixpk= 29, nxpk= 0, iat= 163, 170, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 9 LEU HN 9 LEU QB 3.34 (#peak 27)
&rst
ixpk= 27, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 167, 168,
&end
#
# 9 LEU HN 9 LEU QD1 3.97 (#peak 58 #SUP 1.00)
&rst
ixpk= 58, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 172, 173, 174,
&end
#
# 9 LEU HN 9 LEU QD2 4.46 (#peak 72 #SUP 1.00)
&rst
ixpk= 72, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 176, 177, 178,
&end
#
# 9 LEU HN 10 ARG+ HN 3.66 (#peak 854 #SUP 0.94 #QF 0.94)
&rst
ixpk= 854, nxpk= 0, iat= 163, 182, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 9 LEU QB 9 LEU QD1 3.01 (#peak 52)
&rst
ixpk= 52, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 167, 168,
igr2= 172, 173, 174,
&end
#
# 9 LEU QB 9 LEU QD2 2.85 (#peak 77)
&rst
ixpk= 77, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 167, 168,
igr2= 176, 177, 178,
&end
#
# 9 LEU QB 10 ARG+ HN 3.76 (#peak 20)
&rst
ixpk= 20, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 167, 168,
&end
#
# 9 LEU QD1 10 ARG+ HN 4.96 (#peak 23 #SUP 0.99 #QF 0.99)
&rst
ixpk= 23, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 172, 173, 174,
&end
#
# 9 LEU QD1 12 MET QE 2.75 (#peak 1953 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1953, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 172, 173, 174,
igr2= 236, 237, 238,
&end
#
# 10 ARG+ HA 10 ARG+ QD 3.56 (#peak 2171 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2171, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 192, 193,
&end
#
# 10 ARG+ HA 10 ARG+ QG 3.59 (#peak 42 #SUP 0.97 #QF 0.97)
&rst
ixpk= 42, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 189, 190,
&end
#
# 10 ARG+ HA 11 LEU HA 5.17 (#peak 21 #SUP 0.76 #QF 0.64)
&rst
ixpk= 21, nxpk= 0, iat= 184, 208, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 10 ARG+ HA 13 GLU- HB2 4.52 (#peak 41 #SUP 0.96 #QF 0.93)
&rst
ixpk= 41, nxpk= 0, iat= 184, 246, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 10 ARG+ HA 13 GLU- HB3 4.52 (#peak 155 #SUP 0.69 #QF 0.69)
&rst
ixpk= 155, nxpk= 0, iat= 184, 247, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 10 ARG+ HA 13 GLU- HN 4.11 (#peak 73 #SUP 0.54 #QF 0.54)
&rst
ixpk= 73, nxpk= 0, iat= 184, 242, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 10 ARG+ HA 13 GLU- QB 3.77 (#peak 41)
&rst
ixpk= 41, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 246, 247,
&end
#
# 10 ARG+ HA 114 HIS HE1 4.95 (#peak 2348 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2348, nxpk= 0, iat= 184,1843, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 10 ARG+ HN 10 ARG+ QB 3.55 (#peak 18 #SUP 0.83 #QF 0.83)
&rst
ixpk= 18, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 186, 187,
&end
#
# 10 ARG+ HN 10 ARG+ QD 4.56 (#peak 17 #SUP 0.98 #QF 0.98)
&rst
ixpk= 17, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 192, 193,
&end
#
# 10 ARG+ HN 10 ARG+ QG 4.00 (#peak 19 #SUP 0.99 #QF 0.99)
&rst
ixpk= 19, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 189, 190,
&end
#
# 10 ARG+ HN 11 LEU HB2 4.77 (#peak 21 #SUP 0.72 #QF 0.72)
&rst
ixpk= 21, nxpk= 0, iat= 182, 210, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 10 ARG+ HN 11 LEU HN 3.63 (#peak 14 #SUP 0.95 #QF 0.95)
&rst
ixpk= 14, nxpk= 0, iat= 182, 206, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 10 ARG+ HN 12 MET HN 4.92 (#peak 831 #SUP 0.96 #QF 0.96)
&rst
ixpk= 831, nxpk= 0, iat= 182, 225, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 10 ARG+ QB 11 LEU HN 4.03 (#peak 6 #SUP 0.91 #QF 0.91)
&rst
ixpk= 6, nxpk= 0, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 186, 187,
&end
#
# 10 ARG+ QB 114 HIS HE1 3.99 (#peak 2346 #SUP 0.68 #QF 0.68)
&rst
ixpk= 2346, nxpk= 0, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 186, 187,
&end
#
# 10 ARG+ QG 11 LEU HN 4.63 (#peak 5 #SUP 0.97 #QF 0.97)
&rst
ixpk= 5, nxpk= 0, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 189, 190,
&end
#
# 10 ARG+ QG 114 HIS HE1 4.29 (#peak 2345 #SUP 0.83 #QF 0.83)
&rst
ixpk= 2345, nxpk= 0, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 189, 190,
&end
#
# 11 LEU HA 11 LEU HG 3.99 (#peak 18 #SUP 0.92 #QF 0.92)
&rst
ixpk= 18, nxpk= 0, iat= 208, 213, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 11 LEU HA 11 LEU QD1 4.17 (#peak 5 #SUP 0.95 #QF 0.95)
&rst
ixpk= 5, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 215, 216, 217,
&end
#
# 11 LEU HA 11 LEU QD2 3.56 (#peak 2013 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2013, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 219, 220, 221,
&end
#
# 11 LEU HA 114 HIS HA 5.50 (#peak 21 #SUP 0.76 #QF 0.64)
&rst
ixpk= 21, nxpk= 0, iat= 208,1835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 LEU HA 114 HIS HE1 4.58 (#peak 2347 #SUP 0.39 #QF 0.39)
&rst
ixpk= 2347, nxpk= 0, iat= 208,1843, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 11 LEU HB2 11 LEU QD1 3.48 (#peak 4 #SUP 1.00)
&rst
ixpk= 4, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 215, 216, 217,
&end
#
# 11 LEU HB2 11 LEU QD2 3.93 (#peak 2015 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2015, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 219, 220, 221,
&end
#
# 11 LEU HB2 12 MET HN 3.95 (#peak 835 #SUP 0.98 #QF 0.98)
&rst
ixpk= 835, nxpk= 0, iat= 210, 225, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 11 LEU HB3 11 LEU QD1 3.63 (#peak 2 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 215, 216, 217,
&end
#
# 11 LEU HB3 11 LEU QD2 3.69 (#peak 2017 #SUP 1.00)
&rst
ixpk= 2017, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 219, 220, 221,
&end
#
# 11 LEU HB3 12 MET HN 4.29 (#peak 836 #SUP 0.84 #QF 0.84)
&rst
ixpk= 836, nxpk= 0, iat= 211, 225, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 11 LEU HB3 72 LEU QD2 4.71 (#peak 28 #SUP 0.99 #QF 0.98)
&rst
ixpk= 28, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1154,1155,1156,
&end
#
# 11 LEU HG 12 MET HN 5.08 (#peak 837 #SUP 1.00 #QF 0.99)
&rst
ixpk= 837, nxpk= 0, iat= 213, 225, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 11 LEU HG 118 TYR QE 5.41 (#peak 2301 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2301, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1925,1930,
&end
#
# 11 LEU HN 11 LEU HB2 3.61 (#peak 4 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4, nxpk= 0, iat= 206, 210, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 11 LEU HN 11 LEU HB3 3.72 (#peak 3 #SUP 1.00)
&rst
ixpk= 3, nxpk= 0, iat= 206, 211, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 11 LEU HN 11 LEU HG 4.24 (#peak 2 #SUP 0.65 #QF 0.65)
&rst
ixpk= 2, nxpk= 0, iat= 206, 213, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 11 LEU HN 11 LEU QD1 4.19 (#peak 13 #SUP 0.94 #QF 0.94)
&rst
ixpk= 13, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 215, 216, 217,
&end
#
# 11 LEU HN 11 LEU QD2 4.59 (#peak 1 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 219, 220, 221,
&end
#
# 11 LEU HN 12 MET HN 3.59 (#peak 830 #SUP 0.98 #QF 0.98)
&rst
ixpk= 830, nxpk= 0, iat= 206, 225, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 11 LEU QD1 12 MET HA 5.50 (#peak 1932 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1932, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 215, 216, 217,
&end
#
# 11 LEU QD1 12 MET HN 4.39 (#peak 838 #SUP 0.97 #QF 0.97)
&rst
ixpk= 838, nxpk= 0, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 215, 216, 217,
&end
#
# 11 LEU QD1 72 LEU QD1 4.05 (#peak 935 #SUP 0.97 #QF 0.97)
&rst
ixpk= 935, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 215, 216, 217,
igr2=1150,1151,1152,
&end
#
# 11 LEU QD1 72 LEU QD2 3.21 (#peak 920 #SUP 0.91 #QF 0.91)
&rst
ixpk= 920, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 215, 216, 217,
igr2=1154,1155,1156,
&end
#
# 11 LEU QD1 111 VAL HA 4.63 (#peak 1698 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1698, nxpk= 0, iat= -1,1782, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 215, 216, 217,
&end
#
# 11 LEU QD1 111 VAL QG1 3.36 (#peak 3 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 215, 216, 217,
igr2=1786,1787,1788,
&end
#
# 11 LEU QD1 111 VAL QG2 4.38 (#peak 1745 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1745, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 215, 216, 217,
igr2=1790,1791,1792,
&end
#
# 11 LEU QD1 114 HIS HA 4.30 (#peak 9 #SUP 0.99 #QF 0.99)
&rst
ixpk= 9, nxpk= 0, iat= -1,1835, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 215, 216, 217,
&end
#
# 11 LEU QD1 117 ILE QD1 3.25 (#peak 1825 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1825, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 215, 216, 217,
igr2=1909,1910,1911,
&end
#
# 11 LEU QD1 117 ILE QG2 3.02 (#peak 1992 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1992, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 215, 216, 217,
igr2=1902,1903,1904,
&end
#
# 11 LEU QD1 118 TYR QE 4.27 (#peak 10 #SUP 1.00)
&rst
ixpk= 10, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 215, 216, 217,
igr2=1925,1930,
&end
#
# 11 LEU QD2 111 VAL HA 5.01 (#peak 1699 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1699, nxpk= 0, iat= -1,1782, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 219, 220, 221,
&end
#
# 11 LEU QD2 111 VAL QG1 3.85 (#peak 1723 #SUP 1.00)
&rst
ixpk= 1723, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 219, 220, 221,
igr2=1786,1787,1788,
&end
#
# 11 LEU QD2 114 HIS HA 3.36 (#peak 2011 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2011, nxpk= 0, iat= -1,1835, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 219, 220, 221,
&end
#
# 11 LEU QD2 114 HIS HE1 4.72 (#peak 2008 #SUP 0.99 #QF 0.95)
&rst
ixpk= 2008, nxpk= 0, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 219, 220, 221,
&end
#
# 11 LEU QD2 114 HIS HN 4.66 (#peak 763 #SUP 0.98 #QF 0.98)
&rst
ixpk= 763, nxpk= 0, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 219, 220, 221,
&end
#
# 11 LEU QD2 114 HIS QB 3.97 (#peak 2012)
&rst
ixpk= 2012, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 219, 220, 221,
igr2=1837,1838,
&end
#
# 11 LEU QD2 117 ILE HB 3.60 (#peak 2014 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2014, nxpk= 0, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 219, 220, 221,
&end
#
# 11 LEU QD2 117 ILE HN 4.71 (#peak 2007 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2007, nxpk= 0, iat= -1,1896, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 219, 220, 221,
&end
#
# 11 LEU QD2 117 ILE QD1 3.12 (#peak 1824 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1824, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 219, 220, 221,
igr2=1909,1910,1911,
&end
#
# 11 LEU QD2 118 TYR HN 4.70 (#peak 793 #SUP 0.98 #QF 0.98)
&rst
ixpk= 793, nxpk= 0, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 219, 220, 221,
&end
#
# 11 LEU QD2 118 TYR QD 3.95 (#peak 2009 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2009, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 219, 220, 221,
igr2=1923,1932,
&end
#
# 11 LEU QD2 118 TYR QE 3.54 (#peak 1856 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1856, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 219, 220, 221,
igr2=1925,1930,
&end
#
# 12 MET HA 12 MET QG 3.62 (#peak 1928)
&rst
ixpk= 1928, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 232, 233,
&end
#
# 12 MET HA 14 GLY HN 5.39 (#peak 84 #SUP 0.82 #QF 0.34)
&rst
ixpk= 84, nxpk= 0, iat= 227, 257, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 12 MET HA 72 LEU QD1 3.78 (#peak 1931 #SUP 1.00)
&rst
ixpk= 1931, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1150,1151,1152,
&end
#
# 12 MET HA 72 LEU QD2 5.13 (#peak 1930 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1930, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1154,1155,1156,
&end
#
# 12 MET HA 118 TYR QE 4.54 (#peak 2241 #SUP 0.51 #QF 0.51)
&rst
ixpk= 2241, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1925,1930,
&end
#
# 12 MET HG2 72 LEU QD1 4.86 (#peak 2175 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2175, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1150,1151,1152,
&end
#
# 12 MET HG3 72 LEU QD1 4.86 (#peak 928 #SUP 0.99 #QF 0.99)
&rst
ixpk= 928, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1150,1151,1152,
&end
#
# 12 MET HN 12 MET HG2 4.02 (#peak 834 #SUP 0.98 #QF 0.96)
&rst
ixpk= 834, nxpk= 0, iat= 225, 232, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 12 MET HN 12 MET HG3 4.02 (#peak 833 #SUP 0.73 #QF 0.73)
&rst
ixpk= 833, nxpk= 0, iat= 225, 233, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 12 MET HN 12 MET QB 3.59 (#peak 834 #SUP 0.98 #QF 0.96)
&rst
ixpk= 834, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 229, 230,
&end
#
# 12 MET HN 12 MET QE 4.18 (#peak 1941 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1941, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 236, 237, 238,
&end
#
# 12 MET HN 12 MET QG 3.43 (#peak 833)
&rst
ixpk= 833, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 232, 233,
&end
#
# 12 MET HN 13 GLU- HN 3.66 (#peak 70 #SUP 0.96 #QF 0.96)
&rst
ixpk= 70, nxpk= 0, iat= 225, 242, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 12 MET HN 72 LEU QD1 4.66 (#peak 863 #SUP 1.00)
&rst
ixpk= 863, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1150,1151,1152,
&end
#
# 12 MET HN 72 LEU QD2 5.41 (#peak 837 #SUP 1.00 #QF 0.99)
&rst
ixpk= 837, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1154,1155,1156,
&end
#
# 12 MET QB 72 LEU QD1 3.64 (#peak 929 #SUP 0.90 #QF 0.90)
&rst
ixpk= 929, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 229, 230,
igr2=1150,1151,1152,
&end
#
# 12 MET QE 13 GLU- HN 4.98 (#peak 1942 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1942, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 236, 237, 238,
&end
#
# 12 MET QE 69 LYS+ HA 4.46 (#peak 1948 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1948, nxpk= 0, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 236, 237, 238,
&end
#
# 12 MET QE 69 LYS+ QD 4.09 (#peak 812 #SUP 0.96 #QF 0.96)
&rst
ixpk= 812, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 236, 237, 238,
igr2=1098,1099,
&end
#
# 12 MET QE 69 LYS+ QE 3.69 (#peak 1951 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1951, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 236, 237, 238,
igr2=1101,1102,
&end
#
# 12 MET QE 69 LYS+ QG 3.43 (#peak 1952 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1952, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 236, 237, 238,
igr2=1095,1096,
&end
#
# 12 MET QE 73 PHE HA 3.60 (#peak 1947 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1947, nxpk= 0, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 236, 237, 238,
&end
#
# 12 MET QE 73 PHE HN 3.59 (#peak 1938 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1938, nxpk= 0, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 236, 237, 238,
&end
#
# 12 MET QE 73 PHE QB 3.19 (#peak 1950 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1950, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 236, 237, 238,
igr2=1164,1165,
&end
#
# 12 MET QE 73 PHE QD 3.34 (#peak 1945 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1945, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 236, 237, 238,
igr2=1168,1176,
&end
#
# 12 MET QE 74 TYR HN 4.97 (#peak 1940 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1940, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 236, 237, 238,
&end
#
# 12 MET QG 13 GLU- HN 3.84 (#peak 77)
&rst
ixpk= 77, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 232, 233,
&end
#
# 12 MET QG 72 LEU QD1 4.08 (#peak 928)
&rst
ixpk= 928, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 232, 233,
igr2=1150,1151,1152,
&end
#
# 12 MET QG 72 LEU QD2 5.34 (#peak 2174)
&rst
ixpk= 2174, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 232, 233,
igr2=1154,1155,1156,
&end
#
# 13 GLU- HA 13 GLU- HG2 4.03 (#peak 149 #SUP 0.99 #QF 0.99)
&rst
ixpk= 149, nxpk= 0, iat= 244, 249, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 13 GLU- HA 13 GLU- HG3 4.03 (#peak 148 #SUP 1.00)
&rst
ixpk= 148, nxpk= 0, iat= 244, 250, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 13 GLU- HA 13 GLU- QG 3.37 (#peak 149)
&rst
ixpk= 149, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 249, 250,
&end
#
# 13 GLU- HB2 14 GLY HN 4.75 (#peak 86 #SUP 0.86 #QF 0.86)
&rst
ixpk= 86, nxpk= 0, iat= 246, 257, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 13 GLU- HB3 14 GLY HN 4.75 (#peak 85 #SUP 0.99 #QF 0.99)
&rst
ixpk= 85, nxpk= 0, iat= 247, 257, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 13 GLU- HN 13 GLU- HB2 3.72 (#peak 78 #SUP 0.98 #QF 0.98)
&rst
ixpk= 78, nxpk= 0, iat= 242, 246, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 13 GLU- HN 13 GLU- HB3 3.72 (#peak 153 #SUP 0.92 #QF 0.92)
&rst
ixpk= 153, nxpk= 0, iat= 242, 247, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 13 GLU- HN 13 GLU- HG2 4.56 (#peak 156 #SUP 0.96 #QF 0.96)
&rst
ixpk= 156, nxpk= 0, iat= 242, 249, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 13 GLU- HN 13 GLU- HG3 4.56 (#peak 1360 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1360, nxpk= 0, iat= 242, 250, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 13 GLU- HN 13 GLU- QB 3.17 (#peak 78)
&rst
ixpk= 78, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 246, 247,
&end
#
# 13 GLU- HN 13 GLU- QG 3.97 (#peak 1360)
&rst
ixpk= 1360, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 249, 250,
&end
#
# 13 GLU- HN 14 GLY HN 3.98 (#peak 80 #SUP 0.97 #QF 0.97)
&rst
ixpk= 80, nxpk= 0, iat= 242, 257, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 13 GLU- QB 14 GLY HN 4.15 (#peak 85)
&rst
ixpk= 85, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 246, 247,
&end
#
# 14 GLY HN 15 GLY HN 4.19 (#peak 87 #SUP 0.90 #QF 0.90)
&rst
ixpk= 87, nxpk= 0, iat= 257, 264, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 14 GLY HN 15 GLY QA 5.50 (#peak 84 #SUP 0.82 #QF 0.34)
&rst
ixpk= 84, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 266, 267,
&end
#
# 19 LEU HA 19 LEU HG 4.07 (#peak 166 #SUP 0.98 #QF 0.97)
&rst
ixpk= 166, nxpk= 0, iat= 309, 314, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 19 LEU HA 19 LEU QD1 3.96 (#peak 175 #SUP 0.84 #QF 0.84)
&rst
ixpk= 175, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 316, 317, 318,
&end
#
# 19 LEU HA 19 LEU QD2 3.96 (#peak 177 #SUP 0.99 #QF 0.99)
&rst
ixpk= 177, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 320, 321, 322,
&end
#
# 19 LEU HA 19 LEU QQD 2.89 (#peak 175)
&rst
ixpk= 175, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 316, 317, 318, 320, 321, 322,
&end
#
# 19 LEU HA 20 TYR HN 3.54 (#peak 99 #SUP 0.96 #QF 0.96)
&rst
ixpk= 99, nxpk= 0, iat= 309, 326, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 19 LEU HB2 20 TYR HN 4.91 (#peak 103 #SUP 1.00)
&rst
ixpk= 103, nxpk= 0, iat= 311, 326, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 19 LEU HB3 20 TYR HN 4.91 (#peak 102 #SUP 1.00)
&rst
ixpk= 102, nxpk= 0, iat= 312, 326, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 19 LEU HG 20 TYR HN 5.47 (#peak 183 #SUP 0.97 #QF 0.95)
&rst
ixpk= 183, nxpk= 0, iat= 314, 326, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 19 LEU HG 27 PRO HD2 5.25 (#peak 185 #SUP 0.86 #QF 0.86)
&rst
ixpk= 185, nxpk= 0, iat= 314, 436, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 19 LEU HN 19 LEU HG 4.95 (#peak 183 #SUP 0.97 #QF 0.95)
&rst
ixpk= 183, nxpk= 0, iat= 307, 314, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 19 LEU HN 19 LEU QB 3.43 (#peak 94)
&rst
ixpk= 94, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 311, 312,
&end
#
# 19 LEU HN 19 LEU QQD 4.57 (#peak 96)
&rst
ixpk= 96, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 316, 317, 318, 320, 321, 322,
&end
#
# 19 LEU QB 19 LEU QQD 2.70 (#peak 173)
&rst
ixpk= 173, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 311, 312,
igr2= 316, 317, 318, 320, 321, 322,
&end
#
# 19 LEU QB 20 TYR HN 4.08 (#peak 103)
&rst
ixpk= 103, nxpk= 0, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 311, 312,
&end
#
# 19 LEU QD1 27 PRO HD2 5.00 (#peak 174 #SUP 0.86 #QF 0.86)
&rst
ixpk= 174, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 316, 317, 318,
&end
#
# 19 LEU QD2 27 PRO HD2 5.00 (#peak 180 #SUP 0.93 #QF 0.93)
&rst
ixpk= 180, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 320, 321, 322,
&end
#
# 19 LEU QQD 20 TYR HN 5.35 (#peak 176)
&rst
ixpk= 176, nxpk= 0, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 316, 317, 318, 320, 321, 322,
&end
#
# 19 LEU QQD 27 PRO HD2 4.26 (#peak 174)
&rst
ixpk= 174, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 316, 317, 318, 320, 321, 322,
&end
#
# 19 LEU QQD 27 PRO QB 5.28 (#peak 2174)
&rst
ixpk= 2174, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 316, 317, 318, 320, 321, 322,
igr2= 442, 443,
&end
#
# 19 LEU QQD 118 TYR QD 4.57 (#peak 178)
&rst
ixpk= 178, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 316, 317, 318, 320, 321, 322,
igr2=1923,1932,
&end
#
# 19 LEU QQD 118 TYR QE 4.66 (#peak 179)
&rst
ixpk= 179, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 316, 317, 318, 320, 321, 322,
igr2=1925,1930,
&end
#
# 20 TYR HA 20 TYR QD 3.88 (#peak 197 #SUP 0.98 #QF 0.98)
&rst
ixpk= 197, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 334, 343,
&end
#
# 20 TYR HN 20 TYR HB2 4.10 (#peak 101 #SUP 0.94 #QF 0.94)
&rst
ixpk= 101, nxpk= 0, iat= 326, 330, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 20 TYR HN 20 TYR HB3 4.10 (#peak 100 #SUP 1.00)
&rst
ixpk= 100, nxpk= 0, iat= 326, 331, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 20 TYR HN 20 TYR QB 3.50 (#peak 101)
&rst
ixpk= 101, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 330, 331,
&end
#
# 20 TYR HN 20 TYR QD 4.27 (#peak 97 #SUP 0.96 #QF 0.96)
&rst
ixpk= 97, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 334, 343,
&end
#
# 21 PHE HA 21 PHE QD 4.39 (#peak 205 #SUP 1.00)
&rst
ixpk= 205, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 355, 363,
&end
#
# 21 PHE HN 22 GLN HN 4.72 (#peak 104 #SUP 0.98 #QF 0.98)
&rst
ixpk= 104, nxpk= 0, iat= 347, 367, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 22 GLN HA 22 GLN QG 3.59 (#peak 2318 #SUP 1.00)
&rst
ixpk= 2318, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 374, 375,
&end
#
# 25 SER HA 26 VAL HN 3.25 (#peak 111 #SUP 0.68 #QF 0.68)
&rst
ixpk= 111, nxpk= 0, iat= 410, 419, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 25 SER QB 26 VAL HB 4.21 (#peak 214 #SUP 0.89 #QF 0.89)
&rst
ixpk= 214, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 412, 413,
&end
#
# 25 SER QB 26 VAL HN 4.19 (#peak 112 #SUP 0.92 #QF 0.92)
&rst
ixpk= 112, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 412, 413,
&end
#
# 25 SER QB 26 VAL QG1 5.50 (#peak 217 #SUP 0.98 #QF 0.98)
&rst
ixpk= 217, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 412, 413,
igr2= 425, 426, 427,
&end
#
# 25 SER QB 26 VAL QG2 3.92 (#peak 1964 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1964, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 412, 413,
igr2= 429, 430, 431,
&end
#
# 26 VAL HA 26 VAL QG1 3.48 (#peak 216 #SUP 1.00)
&rst
ixpk= 216, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 425, 426, 427,
&end
#
# 26 VAL HA 26 VAL QG2 3.30 (#peak 1963 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1963, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 429, 430, 431,
&end
#
# 26 VAL HA 27 PRO HD2 2.95 (#peak 1975 #SUP 0.95 #QF 0.70)
&rst
ixpk= 1975, nxpk= 0, iat= 421, 436, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 26 VAL HA 27 PRO HD3 3.11 (#peak 1974 #SUP 0.84 #QF 0.60)
&rst
ixpk= 1974, nxpk= 0, iat= 421, 437, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 26 VAL HA 27 PRO QG 4.28 (#peak 257 #SUP 0.99 #QF 0.30)
&rst
ixpk= 257, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 439, 440,
&end
#
# 26 VAL HB 27 PRO HD2 4.19 (#peak 213 #SUP 0.97 #QF 0.97)
&rst
ixpk= 213, nxpk= 0, iat= 423, 436, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 26 VAL HN 26 VAL HB 3.96 (#peak 113 #SUP 0.99 #QF 0.99)
&rst
ixpk= 113, nxpk= 0, iat= 419, 423, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 26 VAL HN 26 VAL QG1 4.12 (#peak 114 #SUP 0.98 #QF 0.98)
&rst
ixpk= 114, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 425, 426, 427,
&end
#
# 26 VAL QG1 27 PRO HD2 3.53 (#peak 1968 #SUP 0.99 #QF 0.97)
&rst
ixpk= 1968, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 425, 426, 427,
&end
#
# 26 VAL QG1 27 PRO HD3 4.10 (#peak 1967 #SUP 0.95 #QF 0.85)
&rst
ixpk= 1967, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 425, 426, 427,
&end
#
# 26 VAL QG2 27 PRO HD2 3.81 (#peak 1965 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1965, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 429, 430, 431,
&end
#
# 28 THR HA 28 THR QG2 4.06 (#peak 596 #SUP 1.00)
&rst
ixpk= 596, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 455, 456, 457,
&end
#
# 28 THR QG2 29 ASP- HN 3.91 (#peak 2064 #SUP 0.98 #QF 0.24)
&rst
ixpk= 2064, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 455, 456, 457,
&end
#
# 31 ALA QB 32 VAL HN 4.54 (#peak 840 #SUP 0.99 #QF 0.99)
&rst
ixpk= 840, nxpk= 0, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 486, 487, 488,
&end
#
# 32 VAL HA 32 VAL QG1 3.76 (#peak 1959 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1959, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 498, 499, 500,
&end
#
# 32 VAL HA 32 VAL QG2 3.76 (#peak 1959 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1959, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 502, 503, 504,
&end
#
# 32 VAL HN 32 VAL QQG 4.37 (#peak 839)
&rst
ixpk= 839, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 498, 499, 500, 502, 503, 504,
&end
#
# 36 GLN HA 36 GLN QG 3.67 (#peak 2246 #SUP 0.83 #QF 0.83)
&rst
ixpk= 2246, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 554, 555,
&end
#
# 36 GLN HA 37 ILE HN 3.54 (#peak 119 #SUP 0.97 #QF 0.97)
&rst
ixpk= 119, nxpk= 0, iat= 549, 564, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 37 ILE HA 37 ILE QD1 4.39 (#peak 229 #SUP 1.00)
&rst
ixpk= 229, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 577, 578, 579,
&end
#
# 37 ILE HA 37 ILE QG1 3.60 (#peak 236)
&rst
ixpk= 236, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 574, 575,
&end
#
# 37 ILE HA 37 ILE QG2 3.21 (#peak 248 #SUP 1.00)
&rst
ixpk= 248, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 570, 571, 572,
&end
#
# 37 ILE HA 38 PRO HD2 3.27 (#peak 1975 #SUP 0.95 #QF 0.70)
&rst
ixpk= 1975, nxpk= 0, iat= 566, 584, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 37 ILE HA 38 PRO HD3 3.27 (#peak 2206 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2206, nxpk= 0, iat= 566, 585, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 37 ILE HB 37 ILE QD1 3.35 (#peak 232 #SUP 0.99 #QF 0.99)
&rst
ixpk= 232, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 577, 578, 579,
&end
#
# 37 ILE HB 38 PRO HD2 4.34 (#peak 224 #SUP 0.95 #QF 0.95)
&rst
ixpk= 224, nxpk= 0, iat= 568, 584, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 37 ILE HB 38 PRO HD3 4.34 (#peak 223 #SUP 0.83 #QF 0.83)
&rst
ixpk= 223, nxpk= 0, iat= 568, 585, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 37 ILE HB 38 PRO QD 3.80 (#peak 224)
&rst
ixpk= 224, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 584, 585,
&end
#
# 37 ILE HN 37 ILE HB 3.86 (#peak 118 #SUP 0.98 #QF 0.98)
&rst
ixpk= 118, nxpk= 0, iat= 564, 568, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 37 ILE HN 37 ILE HG12 4.30 (#peak 116 #SUP 0.98 #QF 0.98)
&rst
ixpk= 116, nxpk= 0, iat= 564, 574, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 37 ILE HN 37 ILE HG13 4.30 (#peak 117 #SUP 0.97 #QF 0.97)
&rst
ixpk= 117, nxpk= 0, iat= 564, 575, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 37 ILE HN 37 ILE QG2 4.72 (#peak 251 #SUP 1.00)
&rst
ixpk= 251, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 570, 571, 572,
&end
#
# 37 ILE QD1 38 PRO QD 4.35 (#peak 231)
&rst
ixpk= 231, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 577, 578, 579,
igr2= 584, 585,
&end
#
# 37 ILE QG2 37 ILE HG12 3.53 (#peak 254 #SUP 1.00)
&rst
ixpk= 254, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 570, 571, 572,
&end
#
# 37 ILE QG2 37 ILE HG13 3.53 (#peak 253 #SUP 0.96 #QF 0.96)
&rst
ixpk= 253, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 570, 571, 572,
&end
#
# 37 ILE QG2 37 ILE QG1 2.97 (#peak 254)
&rst
ixpk= 254, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 570, 571, 572,
igr2= 574, 575,
&end
#
# 37 ILE QG2 38 PRO HD2 3.87 (#peak 250 #SUP 0.89 #QF 0.89)
&rst
ixpk= 250, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 570, 571, 572,
&end
#
# 37 ILE QG2 38 PRO HD3 3.87 (#peak 249 #SUP 0.92 #QF 0.92)
&rst
ixpk= 249, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 570, 571, 572,
&end
#
# 37 ILE QG2 38 PRO QD 3.16 (#peak 250)
&rst
ixpk= 250, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 570, 571, 572,
igr2= 584, 585,
&end
#
# 39 ALA HN 39 ALA QB 3.77 (#peak 876 #SUP 1.00)
&rst
ixpk= 876, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 601, 602, 603,
&end
#
# 41 GLU- HA 41 GLU- QG 3.84 (#peak 2323 #SUP 0.76 #QF 0.76)
&rst
ixpk= 2323, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 625, 626,
&end
#
# 42 GLN QB 43 GLU- HN 4.38 (#peak 874)
&rst
ixpk= 874, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 637, 638,
&end
#
# 43 GLU- HA 43 GLU- QG 4.04 (#peak 2326 #SUP 0.66 #QF 0.66)
&rst
ixpk= 2326, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 657, 658,
&end
#
# 43 GLU- HA 67 THR QG2 4.67 (#peak 766 #SUP 0.83 #QF 0.83)
&rst
ixpk= 766, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1063,1064,1065,
&end
#
# 43 GLU- HN 43 GLU- QB 3.69 (#peak 873)
&rst
ixpk= 873, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 654, 655,
&end
#
# 43 GLU- QB 67 THR QG2 4.01 (#peak 769)
&rst
ixpk= 769, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 654, 655,
igr2=1063,1064,1065,
&end
#
# 44 THR HA 44 THR QG2 2.83 (#peak 2065 #SUP 0.46 #QF 0.46)
&rst
ixpk= 2065, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 671, 672, 673,
&end
#
# 44 THR HA 45 LEU HN 2.85 (#peak 129 #SUP 0.87 #QF 0.87)
&rst
ixpk= 129, nxpk= 0, iat= 667, 679, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 44 THR HB 45 LEU HN 3.81 (#peak 128 #SUP 0.98 #QF 0.98)
&rst
ixpk= 128, nxpk= 0, iat= 669, 679, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 44 THR HN 44 THR HB 3.95 (#peak 905 #SUP 0.99 #QF 0.99)
&rst
ixpk= 905, nxpk= 0, iat= 665, 669, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 44 THR QG2 45 LEU HN 3.54 (#peak 124 #SUP 0.97 #QF 0.97)
&rst
ixpk= 124, nxpk= 0, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 671, 672, 673,
&end
#
# 45 LEU HA 45 LEU QD2 3.47 (#peak 2082 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2082, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 692, 693, 694,
&end
#
# 45 LEU HA 46 VAL HN 3.30 (#peak 885 #SUP 0.97 #QF 0.97)
&rst
ixpk= 885, nxpk= 0, iat= 681, 698, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 45 LEU HA 66 TYR HN 4.68 (#peak 327 #SUP 0.90 #QF 0.90)
&rst
ixpk= 327, nxpk= 0, iat= 681,1036, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 45 LEU HA 67 THR QG2 4.91 (#peak 765 #SUP 0.76 #QF 0.76)
&rst
ixpk= 765, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1063,1064,1065,
&end
#
# 45 LEU HB2 45 LEU QD1 3.25 (#peak 2180 #SUP 1.00)
&rst
ixpk= 2180, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 688, 689, 690,
&end
#
# 45 LEU HB2 46 VAL HN 4.45 (#peak 135 #SUP 0.93 #QF 0.93)
&rst
ixpk= 135, nxpk= 0, iat= 683, 698, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 45 LEU HB2 65 THR HB 4.09 (#peak 733 #SUP 0.82 #QF 0.82)
&rst
ixpk= 733, nxpk= 0, iat= 683,1026, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 45 LEU HB3 45 LEU QD1 3.22 (#peak 2179 #SUP 1.00)
&rst
ixpk= 2179, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 688, 689, 690,
&end
#
# 45 LEU HB3 45 LEU QD2 2.71 (#peak 2085 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2085, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
igr2= 692, 693, 694,
&end
#
# 45 LEU HB3 46 VAL HN 4.03 (#peak 134 #SUP 0.99 #QF 0.99)
&rst
ixpk= 134, nxpk= 0, iat= 684, 698, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 45 LEU HB3 65 THR HB 3.79 (#peak 734 #SUP 0.98 #QF 0.98)
&rst
ixpk= 734, nxpk= 0, iat= 684,1026, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 45 LEU HN 45 LEU HB2 3.38 (#peak 127 #SUP 0.98 #QF 0.98)
&rst
ixpk= 127, nxpk= 0, iat= 679, 683, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 45 LEU HN 45 LEU HB3 3.76 (#peak 125 #SUP 1.00)
&rst
ixpk= 125, nxpk= 0, iat= 679, 684, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 45 LEU HN 45 LEU HG 3.35 (#peak 126 #SUP 0.96 #QF 0.96)
&rst
ixpk= 126, nxpk= 0, iat= 679, 686, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 45 LEU HN 45 LEU QD1 3.78 (#peak 123 #SUP 0.98 #QF 0.98)
&rst
ixpk= 123, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 688, 689, 690,
&end
#
# 45 LEU HN 45 LEU QD2 3.93 (#peak 2079 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2079, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 692, 693, 694,
&end
#
# 45 LEU QD1 65 THR HB 3.76 (#peak 736 #SUP 0.98 #QF 0.98)
&rst
ixpk= 736, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 688, 689, 690,
&end
#
# 45 LEU QD1 65 THR QG2 3.03 (#peak 703 #SUP 0.75 #QF 0.33)
&rst
ixpk= 703, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 688, 689, 690,
igr2=1028,1029,1030,
&end
#
# 45 LEU QD2 46 VAL HN 3.89 (#peak 131 #SUP 0.99 #QF 0.99)
&rst
ixpk= 131, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 692, 693, 694,
&end
#
# 45 LEU QD2 65 THR HB 4.06 (#peak 737 #SUP 1.00)
&rst
ixpk= 737, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 692, 693, 694,
&end
#
# 45 LEU QD2 66 TYR HA 4.46 (#peak 2081 #SUP 0.99 #QF 0.83)
&rst
ixpk= 2081, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 692, 693, 694,
&end
#
# 45 LEU QD2 66 TYR HN 4.18 (#peak 2078 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2078, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 692, 693, 694,
&end
#
# 45 LEU QD2 67 THR HA 4.98 (#peak 2080 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2080, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 692, 693, 694,
&end
#
# 45 LEU QD2 67 THR HN 4.40 (#peak 2077 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2077, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 692, 693, 694,
&end
#
# 45 LEU QD2 67 THR QG2 3.85 (#peak 770 #SUP 0.86 #QF 0.86)
&rst
ixpk= 770, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 692, 693, 694,
igr2=1063,1064,1065,
&end
#
# 46 VAL HA 46 VAL QG1 3.73 (#peak 303 #SUP 0.94 #QF 0.50)
&rst
ixpk= 303, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 704, 705, 706,
&end
#
# 46 VAL HA 46 VAL QG2 3.97 (#peak 1962 #SUP 0.78 #QF 0.28)
&rst
ixpk= 1962, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 708, 709, 710,
&end
#
# 46 VAL HA 47 ARG+ HN 3.53 (#peak 139 #SUP 0.90 #QF 0.90)
&rst
ixpk= 139, nxpk= 0, iat= 700, 714, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 46 VAL HB 47 ARG+ HN 4.19 (#peak 285 #SUP 1.00)
&rst
ixpk= 285, nxpk= 0, iat= 702, 714, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 46 VAL HB 125 THR HB 3.98 (#peak 705 #SUP 0.94 #QF 0.94)
&rst
ixpk= 705, nxpk= 0, iat= 702,2026, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 46 VAL HB 125 THR QG2 3.94 (#peak 2332 #SUP 0.74 #QF 0.48)
&rst
ixpk= 2332, nxpk= 0, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=2028,2029,2030,
&end
#
# 46 VAL HN 46 VAL HB 4.20 (#peak 136 #SUP 1.00)
&rst
ixpk= 136, nxpk= 0, iat= 698, 702, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 46 VAL HN 46 VAL QG1 3.83 (#peak 301 #SUP 1.00)
&rst
ixpk= 301, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 704, 705, 706,
&end
#
# 46 VAL HN 46 VAL QG2 3.33 (#peak 287 #SUP 0.99 #QF 0.99)
&rst
ixpk= 287, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 708, 709, 710,
&end
#
# 46 VAL HN 47 ARG+ HN 4.81 (#peak 883 #SUP 1.00)
&rst
ixpk= 883, nxpk= 0, iat= 698, 714, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 46 VAL HN 65 THR HB 4.51 (#peak 732 #SUP 0.99 #QF 0.99)
&rst
ixpk= 732, nxpk= 0, iat= 698,1026, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 46 VAL HN 65 THR QG2 4.75 (#peak 725 #SUP 0.97 #QF 0.97)
&rst
ixpk= 725, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1028,1029,1030,
&end
#
# 46 VAL HN 66 TYR HN 3.77 (#peak 323 #SUP 0.98 #QF 0.98)
&rst
ixpk= 323, nxpk= 0, iat= 698,1036, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 46 VAL HN 67 THR HA 4.86 (#peak 137 #SUP 0.53 #QF 0.53)
&rst
ixpk= 137, nxpk= 0, iat= 698,1059, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 46 VAL QG1 47 ARG+ HA 5.50 (#peak 325 #SUP 0.29 #QF 0.29)
&rst
ixpk= 325, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 704, 705, 706,
&end
#
# 46 VAL QG1 47 ARG+ HN 3.88 (#peak 304 #SUP 0.99 #QF 0.99)
&rst
ixpk= 304, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 704, 705, 706,
&end
#
# 46 VAL QG1 48 PRO HD3 4.62 (#peak 306 #SUP 0.96 #QF 0.96)
&rst
ixpk= 306, nxpk= 0, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 704, 705, 706,
&end
#
# 46 VAL QG1 68 MET HG2 5.17 (#peak 308 #SUP 0.85 #QF 0.85)
&rst
ixpk= 308, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 704, 705, 706,
&end
#
# 46 VAL QG1 68 MET HG3 5.17 (#peak 307 #SUP 0.93 #QF 0.93)
&rst
ixpk= 307, nxpk= 0, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 704, 705, 706,
&end
#
# 46 VAL QG1 68 MET HN 4.84 (#peak 302 #SUP 0.80 #QF 0.80)
&rst
ixpk= 302, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 704, 705, 706,
&end
#
# 46 VAL QG1 68 MET QB 5.14 (#peak 778 #SUP 0.90 #QF 0.58)
&rst
ixpk= 778, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 704, 705, 706,
igr2=1075,1076,
&end
#
# 46 VAL QG1 68 MET QE 4.22 (#peak 310 #SUP 0.89 #QF 0.89)
&rst
ixpk= 310, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 704, 705, 706,
igr2=1082,1083,1084,
&end
#
# 46 VAL QG1 68 MET QG 4.31 (#peak 308)
&rst
ixpk= 308, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 704, 705, 706,
igr2=1078,1079,
&end
#
# 46 VAL QG1 125 THR HB 4.45 (#peak 305 #SUP 0.99 #QF 0.99)
&rst
ixpk= 305, nxpk= 0, iat= -1,2026, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 704, 705, 706,
&end
#
# 46 VAL QG2 47 ARG+ HN 4.33 (#peak 290 #SUP 1.00)
&rst
ixpk= 290, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 708, 709, 710,
&end
#
# 46 VAL QG2 48 PRO HB3 3.45 (#peak 300 #SUP 0.63 #QF 0.63)
&rst
ixpk= 300, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 708, 709, 710,
&end
#
# 46 VAL QG2 48 PRO HD2 3.85 (#peak 1622 #SUP 0.96 #QF 0.35)
&rst
ixpk= 1622, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 708, 709, 710,
&end
#
# 46 VAL QG2 48 PRO HD3 4.13 (#peak 296 #SUP 0.98 #QF 0.98)
&rst
ixpk= 296, nxpk= 0, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 708, 709, 710,
&end
#
# 46 VAL QG2 49 LYS+ HN 5.50 (#peak 292 #SUP 0.81 #QF 0.51)
&rst
ixpk= 292, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 708, 709, 710,
&end
#
# 46 VAL QG2 66 TYR HN 3.90 (#peak 333 #SUP 0.94 #QF 0.94)
&rst
ixpk= 333, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 708, 709, 710,
&end
#
# 46 VAL QG2 66 TYR QD 5.32 (#peak 293 #SUP 0.89 #QF 0.89)
&rst
ixpk= 293, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 708, 709, 710,
igr2=1044,1053,
&end
#
# 46 VAL QG2 67 THR HN 4.94 (#peak 289 #SUP 0.93 #QF 0.93)
&rst
ixpk= 289, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 708, 709, 710,
&end
#
# 46 VAL QG2 68 MET HA 4.78 (#peak 294 #SUP 0.97 #QF 0.97)
&rst
ixpk= 294, nxpk= 0, iat= -1,1073, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 708, 709, 710,
&end
#
# 46 VAL QG2 68 MET HN 4.54 (#peak 288 #SUP 0.71 #QF 0.71)
&rst
ixpk= 288, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 708, 709, 710,
&end
#
# 46 VAL QG2 68 MET QG 4.38 (#peak 298)
&rst
ixpk= 298, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 708, 709, 710,
igr2=1078,1079,
&end
#
# 46 VAL QG2 71 VAL HN 5.50 (#peak 292 #SUP 0.81 #QF 0.51)
&rst
ixpk= 292, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 708, 709, 710,
&end
#
# 46 VAL QG2 125 THR HB 3.74 (#peak 707 #SUP 0.87 #QF 0.87)
&rst
ixpk= 707, nxpk= 0, iat= -1,2026, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 708, 709, 710,
&end
#
# 46 VAL QG2 125 THR QG2 3.17 (#peak 703 #SUP 0.75 #QF 0.33)
&rst
ixpk= 703, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 708, 709, 710,
igr2=2028,2029,2030,
&end
#
# 47 ARG+ HA 47 ARG+ HD2 5.09 (#peak 318 #SUP 0.89 #QF 0.89)
&rst
ixpk= 318, nxpk= 0, iat= 716, 724, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 47 ARG+ HA 47 ARG+ HD3 5.09 (#peak 319 #SUP 0.98 #QF 0.98)
&rst
ixpk= 319, nxpk= 0, iat= 716, 725, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 47 ARG+ HA 47 ARG+ QD 4.39 (#peak 318)
&rst
ixpk= 318, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 724, 725,
&end
#
# 47 ARG+ HA 48 PRO HD2 3.61 (#peak 330 #SUP 0.95 #QF 0.95)
&rst
ixpk= 330, nxpk= 0, iat= 716, 739, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 47 ARG+ HA 48 PRO HD3 3.65 (#peak 328 #SUP 0.95 #QF 0.95)
&rst
ixpk= 328, nxpk= 0, iat= 716, 740, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 47 ARG+ HA 65 THR QG2 3.88 (#peak 723 #SUP 0.91 #QF 0.91)
&rst
ixpk= 723, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1028,1029,1030,
&end
#
# 47 ARG+ HA 66 TYR HN 4.94 (#peak 325 #SUP 0.83 #QF 0.83)
&rst
ixpk= 325, nxpk= 0, iat= 716,1036, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 47 ARG+ HN 47 ARG+ QB 3.53 (#peak 884)
&rst
ixpk= 884, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 718, 719,
&end
#
# 47 ARG+ HN 47 ARG+ QG 4.50 (#peak 315)
&rst
ixpk= 315, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 721, 722,
&end
#
# 47 ARG+ HN 65 THR QG2 4.52 (#peak 726 #SUP 0.84 #QF 0.84)
&rst
ixpk= 726, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1028,1029,1030,
&end
#
# 47 ARG+ QD 65 THR QG2 4.21 (#peak 728)
&rst
ixpk= 728, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 724, 725,
igr2=1028,1029,1030,
&end
#
# 48 PRO HA 49 LYS+ HN 3.17 (#peak 852 #SUP 0.93 #QF 0.79)
&rst
ixpk= 852, nxpk= 0, iat= 748, 752, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 48 PRO HA 52 LEU QD2 4.47 (#peak 2249 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2249, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 820, 821, 822,
&end
#
# 48 PRO HA 125 THR QG2 3.62 (#peak 701 #SUP 0.91 #QF 0.91)
&rst
ixpk= 701, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=2028,2029,2030,
&end
#
# 48 PRO HB2 52 LEU QD2 3.67 (#peak 354 #SUP 0.87 #QF 0.87)
&rst
ixpk= 354, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 820, 821, 822,
&end
#
# 48 PRO HB2 56 LEU QD1 4.96 (#peak 352 #SUP 0.88 #QF 0.88)
&rst
ixpk= 352, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 895, 896, 897,
&end
#
# 48 PRO HB3 49 LYS+ HN 4.02 (#peak 850 #SUP 1.00)
&rst
ixpk= 850, nxpk= 0, iat= 746, 752, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 48 PRO HB3 52 LEU QD2 3.09 (#peak 2302 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2302, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 820, 821, 822,
&end
#
# 48 PRO HB3 56 LEU QD1 5.50 (#peak 353 #SUP 0.99 #QF 0.99)
&rst
ixpk= 353, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 895, 896, 897,
&end
#
# 48 PRO HB3 71 VAL QG2 3.98 (#peak 863 #SUP 0.66 #QF 0.53)
&rst
ixpk= 863, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1135,1136,1137,
&end
#
# 48 PRO HB3 125 THR QG2 3.43 (#peak 2331 #SUP 1.00 #QF 0.77)
&rst
ixpk= 2331, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=2028,2029,2030,
&end
#
# 48 PRO HD2 65 THR QG2 4.24 (#peak 336 #SUP 0.83 #QF 0.83)
&rst
ixpk= 336, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1028,1029,1030,
&end
#
# 48 PRO HD2 66 TYR QD 4.34 (#peak 329 #SUP 0.96 #QF 0.96)
&rst
ixpk= 329, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1044,1053,
&end
#
# 48 PRO HD3 65 THR QG2 5.23 (#peak 332 #SUP 0.96 #QF 0.77)
&rst
ixpk= 332, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1028,1029,1030,
&end
#
# 48 PRO HD3 66 TYR HN 4.53 (#peak 328 #SUP 0.58 #QF 0.58)
&rst
ixpk= 328, nxpk= 0, iat= 740,1036, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 48 PRO HD3 66 TYR QD 4.66 (#peak 327 #SUP 0.93 #QF 0.93)
&rst
ixpk= 327, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1044,1053,
&end
#
# 48 PRO HD3 125 THR QG2 5.45 (#peak 332 #SUP 0.96 #QF 0.77)
&rst
ixpk= 332, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=2028,2029,2030,
&end
#
# 48 PRO HG2 52 LEU QD2 4.48 (#peak 340 #SUP 0.99 #QF 0.98)
&rst
ixpk= 340, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 820, 821, 822,
&end
#
# 48 PRO HG2 53 LEU QD1 4.76 (#peak 341 #SUP 0.92 #QF 0.82)
&rst
ixpk= 341, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 835, 836, 837,
&end
#
# 48 PRO HG2 56 LEU QD1 4.28 (#peak 539 #SUP 1.00)
&rst
ixpk= 539, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 895, 896, 897,
&end
#
# 48 PRO HG2 66 TYR QD 4.71 (#peak 349 #SUP 0.90 #QF 0.90)
&rst
ixpk= 349, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1044,1053,
&end
#
# 48 PRO HG2 66 TYR QE 5.22 (#peak 350 #SUP 0.94 #QF 0.94)
&rst
ixpk= 350, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1046,1051,
&end
#
# 48 PRO HG2 71 VAL QG2 4.97 (#peak 340 #SUP 0.99 #QF 0.98)
&rst
ixpk= 340, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1135,1136,1137,
&end
#
# 48 PRO HG2 125 THR QG2 5.28 (#peak 341 #SUP 0.92 #QF 0.82)
&rst
ixpk= 341, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=2028,2029,2030,
&end
#
# 48 PRO HG3 52 LEU QD2 4.07 (#peak 343 #SUP 0.94 #QF 0.77)
&rst
ixpk= 343, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 820, 821, 822,
&end
#
# 48 PRO HG3 56 LEU QD1 4.10 (#peak 536 #SUP 1.00)
&rst
ixpk= 536, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 895, 896, 897,
&end
#
# 48 PRO HG3 66 TYR QD 4.79 (#peak 351 #SUP 0.86 #QF 0.86)
&rst
ixpk= 351, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1044,1053,
&end
#
# 48 PRO HG3 71 VAL QG2 3.88 (#peak 864 #SUP 0.80 #QF 0.80)
&rst
ixpk= 864, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1135,1136,1137,
&end
#
# 48 PRO HG3 125 THR QG2 4.15 (#peak 344 #SUP 0.79 #QF 0.79)
&rst
ixpk= 344, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=2028,2029,2030,
&end
#
# 49 LYS+ HA 50 PRO HD2 3.72 (#peak 2183 #SUP 1.00 #QF 0.98)
&rst
ixpk= 2183, nxpk= 0, iat= 754, 775, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 49 LYS+ HA 50 PRO HD3 3.72 (#peak 2184 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2184, nxpk= 0, iat= 754, 776, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 49 LYS+ HG2 49 LYS+ QE 4.07 (#peak 2061 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2061, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 765, 766,
&end
#
# 49 LYS+ HG3 49 LYS+ QE 4.07 (#peak 2060 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2060, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 765, 766,
&end
#
# 49 LYS+ HN 49 LYS+ HB2 3.86 (#peak 849 #SUP 0.97 #QF 0.97)
&rst
ixpk= 849, nxpk= 0, iat= 752, 756, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 49 LYS+ HN 49 LYS+ HB3 3.86 (#peak 851 #SUP 0.97 #QF 0.97)
&rst
ixpk= 851, nxpk= 0, iat= 752, 757, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 49 LYS+ HN 49 LYS+ HG2 4.17 (#peak 2056 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2056, nxpk= 0, iat= 752, 759, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 49 LYS+ HN 49 LYS+ HG3 4.17 (#peak 848 #SUP 0.87 #QF 0.87)
&rst
ixpk= 848, nxpk= 0, iat= 752, 760, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 49 LYS+ HN 49 LYS+ QB 3.27 (#peak 849)
&rst
ixpk= 849, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 756, 757,
&end
#
# 49 LYS+ HN 49 LYS+ QE 4.55 (#peak 2187 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2187, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 765, 766,
&end
#
# 49 LYS+ HN 49 LYS+ QG 3.53 (#peak 848)
&rst
ixpk= 848, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 759, 760,
&end
#
# 49 LYS+ HN 52 LEU QB 4.79 (#peak 847)
&rst
ixpk= 847, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 811, 812,
&end
#
# 49 LYS+ HN 52 LEU QD2 4.04 (#peak 2211 #SUP 1.00)
&rst
ixpk= 2211, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 820, 821, 822,
&end
#
# 49 LYS+ HN 125 THR QG2 3.97 (#peak 698 #SUP 0.97 #QF 0.97)
&rst
ixpk= 698, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=2028,2029,2030,
&end
#
# 49 LYS+ QB 50 PRO QD 3.52 (#peak 2185)
&rst
ixpk= 2185, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 756, 757,
igr2= 775, 776,
&end
#
# 49 LYS+ QB 52 LEU HN 4.21 (#peak 868)
&rst
ixpk= 868, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 756, 757,
&end
#
# 49 LYS+ QB 103 LEU QQD 4.33 (#peak 1555)
&rst
ixpk= 1555, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 756, 757,
igr2=1671,1672,1673,1675,1676,1677,
&end
#
# 49 LYS+ QE 103 LEU QQD 3.96 (#peak 2188)
&rst
ixpk= 2188, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 765, 766,
igr2=1671,1672,1673,1675,1676,1677,
&end
#
# 49 LYS+ QE 124 MET QE 4.75 (#peak 693 #SUP 0.47 #QF 0.47)
&rst
ixpk= 693, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 765, 766,
igr2=2016,2017,2018,
&end
#
# 50 PRO HA 53 LEU HB2 4.16 (#peak 2115 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2115, nxpk= 0, iat= 784, 830, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 50 PRO HA 53 LEU HB3 4.16 (#peak 2113 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2113, nxpk= 0, iat= 784, 831, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 50 PRO HA 53 LEU HN 4.29 (#peak 151 #SUP 1.00 #QF 0.97)
&rst
ixpk= 151, nxpk= 0, iat= 784, 826, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 50 PRO HA 53 LEU QB 3.49 (#peak 2113)
&rst
ixpk= 2113, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 830, 831,
&end
#
# 50 PRO HA 53 LEU QD1 5.36 (#peak 2114 #SUP 1.00)
&rst
ixpk= 2114, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 835, 836, 837,
&end
#
# 50 PRO HA 53 LEU QD2 4.49 (#peak 2189 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2189, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 839, 840, 841,
&end
#
# 51 LEU HA 51 LEU HG 3.93 (#peak 2229 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2229, nxpk= 0, iat= 790, 795, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 51 LEU HA 51 LEU QD1 3.93 (#peak 365 #SUP 0.90 #QF 0.90)
&rst
ixpk= 365, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 797, 798, 799,
&end
#
# 51 LEU HA 51 LEU QD2 3.93 (#peak 2198 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2198, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 801, 802, 803,
&end
#
# 51 LEU HA 51 LEU QQD 2.92 (#peak 365)
&rst
ixpk= 365, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 51 LEU HA 54 LYS+ HB2 4.05 (#peak 2194 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2194, nxpk= 0, iat= 790, 849, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 51 LEU HA 54 LYS+ HB3 4.05 (#peak 2193 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2193, nxpk= 0, iat= 790, 850, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 51 LEU HA 54 LYS+ HN 3.88 (#peak 163 #SUP 0.92 #QF 0.92)
&rst
ixpk= 163, nxpk= 0, iat= 790, 845, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 51 LEU HA 54 LYS+ QD 4.77 (#peak 443 #SUP 0.99 #QF 0.99)
&rst
ixpk= 443, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 855, 856,
&end
#
# 51 LEU HA 54 LYS+ QE 4.21 (#peak 2317)
&rst
ixpk= 2317, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 858, 859,
&end
#
# 51 LEU HB2 51 LEU QD1 3.53 (#peak 362 #SUP 1.00)
&rst
ixpk= 362, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 797, 798, 799,
&end
#
# 51 LEU HB2 51 LEU QD2 3.53 (#peak 363 #SUP 0.99 #QF 0.99)
&rst
ixpk= 363, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 801, 802, 803,
&end
#
# 51 LEU HB2 52 LEU HN 4.32 (#peak 869 #SUP 0.75 #QF 0.75)
&rst
ixpk= 869, nxpk= 0, iat= 792, 807, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 51 LEU HB3 51 LEU QD1 3.53 (#peak 359 #SUP 1.00)
&rst
ixpk= 359, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 797, 798, 799,
&end
#
# 51 LEU HB3 51 LEU QD2 3.53 (#peak 360 #SUP 1.00)
&rst
ixpk= 360, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 801, 802, 803,
&end
#
# 51 LEU HB3 52 LEU HN 4.32 (#peak 2191 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2191, nxpk= 0, iat= 793, 807, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 51 LEU HN 51 LEU QQD 4.91 (#peak 148)
&rst
ixpk= 148, nxpk= 0, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 51 LEU HN 52 LEU HN 4.39 (#peak 864 #SUP 0.94 #QF 0.94)
&rst
ixpk= 864, nxpk= 0, iat= 788, 807, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 51 LEU QB 51 LEU QQD 2.73 (#peak 360)
&rst
ixpk= 360, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 792, 793,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 51 LEU QB 103 LEU QQD 3.13 (#peak 1557)
&rst
ixpk= 1557, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 792, 793,
igr2=1671,1672,1673,1675,1676,1677,
&end
#
# 51 LEU QQD 52 LEU HN 4.58 (#peak 366)
&rst
ixpk= 366, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 51 LEU QQD 54 LYS+ HN 5.44 (#peak 173)
&rst
ixpk= 173, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 51 LEU QQD 54 LYS+ QD 4.62 (#peak 449)
&rst
ixpk= 449, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 797, 798, 799, 801, 802, 803,
igr2= 855, 856,
&end
#
# 51 LEU QQD 54 LYS+ QE 3.79 (#peak 2097)
&rst
ixpk= 2097, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 797, 798, 799, 801, 802, 803,
igr2= 858, 859,
&end
#
# 51 LEU QQD 102 ASP- HA 4.97 (#peak 2088)
&rst
ixpk= 2088, nxpk= 0, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 51 LEU QQD 102 ASP- HN 4.96 (#peak 662)
&rst
ixpk= 662, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 51 LEU QQD 102 ASP- QB 3.22 (#peak 2092)
&rst
ixpk= 2092, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 797, 798, 799, 801, 802, 803,
igr2=1654,1655,
&end
#
# 51 LEU QQD 103 LEU HA 3.87 (#peak 1571)
&rst
ixpk= 1571, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 51 LEU QQD 103 LEU HN 4.08 (#peak 2087)
&rst
ixpk= 2087, nxpk= 0, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 52 LEU HA 52 LEU QD1 3.03 (#peak 2072 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2072, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 816, 817, 818,
&end
#
# 52 LEU HA 52 LEU QD2 4.23 (#peak 2209 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2209, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 820, 821, 822,
&end
#
# 52 LEU HA 55 LEU HB2 4.28 (#peak 455 #SUP 0.91 #QF 0.91)
&rst
ixpk= 455, nxpk= 0, iat= 809, 871, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 52 LEU HA 55 LEU HB3 4.28 (#peak 381 #SUP 1.00)
&rst
ixpk= 381, nxpk= 0, iat= 809, 872, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 52 LEU HA 55 LEU HN 4.08 (#peak 176 #SUP 0.91 #QF 0.91)
&rst
ixpk= 176, nxpk= 0, iat= 809, 867, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 52 LEU HA 55 LEU QQD 4.47 (#peak 471)
&rst
ixpk= 471, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 876, 877, 878, 880, 881, 882,
&end
#
# 52 LEU HA 103 LEU QD1 4.15 (#peak 2225 #SUP 1.00 #QF 0.96)
&rst
ixpk= 2225, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1671,1672,1673,
&end
#
# 52 LEU HA 103 LEU QD2 4.15 (#peak 1549 #SUP 0.97 #QF 0.54)
&rst
ixpk= 1549, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1675,1676,1677,
&end
#
# 52 LEU HA 103 LEU QQD 3.23 (#peak 1549)
&rst
ixpk= 1549, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1671,1672,1673,1675,1676,1677,
&end
#
# 52 LEU HB2 52 LEU QD1 3.87 (#peak 2071 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2071, nxpk= 0, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 816, 817, 818,
&end
#
# 52 LEU HB2 53 LEU HN 3.84 (#peak 159 #SUP 0.61 #QF 0.61)
&rst
ixpk= 159, nxpk= 0, iat= 811, 826, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 52 LEU HB3 52 LEU QD1 3.87 (#peak 2219 #SUP 0.98 #QF 0.76)
&rst
ixpk= 2219, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 816, 817, 818,
&end
#
# 52 LEU HB3 53 LEU HN 3.84 (#peak 155 #SUP 0.99 #QF 0.43)
&rst
ixpk= 155, nxpk= 0, iat= 812, 826, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 52 LEU HG 56 LEU QD1 3.77 (#peak 535 #SUP 0.98 #QF 0.98)
&rst
ixpk= 535, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 895, 896, 897,
&end
#
# 52 LEU HG 56 LEU QD2 3.92 (#peak 561 #SUP 0.97 #QF 0.97)
&rst
ixpk= 561, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 899, 900, 901,
&end
#
# 52 LEU HN 52 LEU HB2 3.57 (#peak 867 #SUP 0.91 #QF 0.91)
&rst
ixpk= 867, nxpk= 0, iat= 807, 811, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 52 LEU HN 52 LEU HB3 3.57 (#peak 870 #SUP 0.99 #QF 0.99)
&rst
ixpk= 870, nxpk= 0, iat= 807, 812, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 52 LEU HN 52 LEU QB 3.11 (#peak 870)
&rst
ixpk= 870, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 811, 812,
&end
#
# 52 LEU HN 52 LEU QD1 4.20 (#peak 2073 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2073, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 816, 817, 818,
&end
#
# 52 LEU HN 52 LEU QD2 4.33 (#peak 2210 #SUP 1.00)
&rst
ixpk= 2210, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 820, 821, 822,
&end
#
# 52 LEU HN 53 LEU HN 3.39 (#peak 150 #SUP 0.99 #QF 0.99)
&rst
ixpk= 150, nxpk= 0, iat= 807, 826, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 52 LEU HN 54 LYS+ HN 4.53 (#peak 162 #SUP 0.90 #QF 0.90)
&rst
ixpk= 162, nxpk= 0, iat= 807, 845, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 52 LEU HN 103 LEU QQD 3.90 (#peak 1548)
&rst
ixpk= 1548, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1671,1672,1673,1675,1676,1677,
&end
#
# 52 LEU QB 52 LEU QD1 3.24 (#peak 2071)
&rst
ixpk= 2071, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 811, 812,
igr2= 816, 817, 818,
&end
#
# 52 LEU QB 52 LEU QD2 3.34 (#peak 2226)
&rst
ixpk= 2226, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 811, 812,
igr2= 820, 821, 822,
&end
#
# 52 LEU QB 103 LEU QQD 3.64 (#peak 1554)
&rst
ixpk= 1554, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 811, 812,
igr2=1671,1672,1673,1675,1676,1677,
&end
#
# 52 LEU QD1 53 LEU HN 4.84 (#peak 157 #SUP 0.98 #QF 0.78)
&rst
ixpk= 157, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 816, 817, 818,
&end
#
# 52 LEU QD1 54 LYS+ HN 5.50 (#peak 173 #SUP 0.96 #QF 0.57)
&rst
ixpk= 173, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 816, 817, 818,
&end
#
# 52 LEU QD1 55 LEU HN 4.34 (#peak 2074 #SUP 1.00)
&rst
ixpk= 2074, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 816, 817, 818,
&end
#
# 52 LEU QD1 55 LEU QD1 4.26 (#peak 2067 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2067, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 816, 817, 818,
igr2= 876, 877, 878,
&end
#
# 52 LEU QD1 55 LEU QD2 4.26 (#peak 2068 #SUP 1.00 #QF 0.76)
&rst
ixpk= 2068, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 816, 817, 818,
igr2= 880, 881, 882,
&end
#
# 52 LEU QD1 55 LEU QQD 3.63 (#peak 2068)
&rst
ixpk= 2068, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 816, 817, 818,
igr2= 876, 877, 878, 880, 881, 882,
&end
#
# 52 LEU QD1 56 LEU HG 3.60 (#peak 2070 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2070, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 816, 817, 818,
&end
#
# 52 LEU QD1 56 LEU HN 4.14 (#peak 202 #SUP 0.93 #QF 0.93)
&rst
ixpk= 202, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 816, 817, 818,
&end
#
# 52 LEU QD1 56 LEU QD1 4.25 (#peak 2068 #SUP 1.00 #QF 0.76)
&rst
ixpk= 2068, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 816, 817, 818,
igr2= 895, 896, 897,
&end
#
# 52 LEU QD1 56 LEU QD2 3.05 (#peak 547 #SUP 0.89 #QF 0.79)
&rst
ixpk= 547, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 816, 817, 818,
igr2= 899, 900, 901,
&end
#
# 52 LEU QD1 103 LEU HG 4.22 (#peak 241 #SUP 0.98 #QF 0.97)
&rst
ixpk= 241, nxpk= 0, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 816, 817, 818,
&end
#
# 52 LEU QD2 53 LEU HN 5.18 (#peak 157 #SUP 0.98 #QF 0.78)
&rst
ixpk= 157, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 820, 821, 822,
&end
#
# 52 LEU QD2 56 LEU QD1 3.91 (#peak 2306 #SUP 0.96 #QF 0.95)
&rst
ixpk= 2306, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 820, 821, 822,
igr2= 895, 896, 897,
&end
#
# 52 LEU QD2 124 MET HB2 3.89 (#peak 2303 #SUP 0.70 #QF 0.22)
&rst
ixpk= 2303, nxpk= 0, iat= -1,2009, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 820, 821, 822,
&end
#
# 52 LEU QD2 124 MET HB3 3.89 (#peak 2304 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2304, nxpk= 0, iat= -1,2010, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 820, 821, 822,
&end
#
# 52 LEU QD2 124 MET QG 3.91 (#peak 681 #SUP 0.98 #QF 0.98)
&rst
ixpk= 681, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 820, 821, 822,
igr2=2012,2013,
&end
#
# 52 LEU QD2 125 THR HN 5.46 (#peak 296 #SUP 0.96 #QF 0.96)
&rst
ixpk= 296, nxpk= 0, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 820, 821, 822,
&end
#
# 53 LEU HA 53 LEU HG 4.10 (#peak 371 #SUP 0.98 #QF 0.98)
&rst
ixpk= 371, nxpk= 0, iat= 828, 833, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 53 LEU HA 53 LEU QD1 3.01 (#peak 395 #SUP 0.98 #QF 0.98)
&rst
ixpk= 395, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 835, 836, 837,
&end
#
# 53 LEU HA 53 LEU QD2 4.06 (#peak 405 #SUP 1.00)
&rst
ixpk= 405, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 839, 840, 841,
&end
#
# 53 LEU HA 56 LEU HG 4.17 (#peak 370 #SUP 0.99 #QF 0.89)
&rst
ixpk= 370, nxpk= 0, iat= 828, 893, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 53 LEU HA 56 LEU HN 4.02 (#peak 193 #SUP 0.99 #QF 0.99)
&rst
ixpk= 193, nxpk= 0, iat= 828, 886, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 53 LEU HA 56 LEU QB 4.10 (#peak 519)
&rst
ixpk= 519, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 890, 891,
&end
#
# 53 LEU HA 56 LEU QD1 3.81 (#peak 529 #SUP 0.97 #QF 0.97)
&rst
ixpk= 529, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 895, 896, 897,
&end
#
# 53 LEU HA 56 LEU QD2 4.84 (#peak 558 #SUP 0.99 #QF 0.99)
&rst
ixpk= 558, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 899, 900, 901,
&end
#
# 53 LEU HA 57 LYS+ HN 4.69 (#peak 367 #SUP 0.99 #QF 0.99)
&rst
ixpk= 367, nxpk= 0, iat= 828, 905, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 53 LEU HB2 53 LEU QD1 3.27 (#peak 399 #SUP 0.99 #QF 0.99)
&rst
ixpk= 399, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 835, 836, 837,
&end
#
# 53 LEU HB2 53 LEU QD2 3.68 (#peak 384 #SUP 1.00)
&rst
ixpk= 384, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 839, 840, 841,
&end
#
# 53 LEU HB2 54 LYS+ HN 4.01 (#peak 170 #SUP 1.00)
&rst
ixpk= 170, nxpk= 0, iat= 830, 845, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 53 LEU HB3 53 LEU QD1 3.27 (#peak 401 #SUP 1.00)
&rst
ixpk= 401, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 835, 836, 837,
&end
#
# 53 LEU HB3 53 LEU QD2 3.68 (#peak 408 #SUP 0.99 #QF 0.99)
&rst
ixpk= 408, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 839, 840, 841,
&end
#
# 53 LEU HB3 54 LYS+ HN 4.01 (#peak 166 #SUP 0.98 #QF 0.98)
&rst
ixpk= 166, nxpk= 0, iat= 831, 845, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 53 LEU HG 54 LYS+ HN 3.99 (#peak 168 #SUP 0.77 #QF 0.64)
&rst
ixpk= 168, nxpk= 0, iat= 833, 845, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 53 LEU HG 57 LYS+ QE 4.58 (#peak 414 #SUP 0.96 #QF 0.96)
&rst
ixpk= 414, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 918, 919,
&end
#
# 53 LEU HN 53 LEU HB2 3.66 (#peak 375 #SUP 1.00)
&rst
ixpk= 375, nxpk= 0, iat= 826, 830, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 53 LEU HN 53 LEU HB3 3.66 (#peak 153 #SUP 0.97 #QF 0.97)
&rst
ixpk= 153, nxpk= 0, iat= 826, 831, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 53 LEU HN 53 LEU HG 4.40 (#peak 411 #SUP 0.99 #QF 0.99)
&rst
ixpk= 411, nxpk= 0, iat= 826, 833, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 53 LEU HN 53 LEU QB 3.15 (#peak 153)
&rst
ixpk= 153, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 830, 831,
&end
#
# 53 LEU HN 53 LEU QD1 4.30 (#peak 156 #SUP 1.00)
&rst
ixpk= 156, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 835, 836, 837,
&end
#
# 53 LEU HN 53 LEU QD2 4.29 (#peak 158 #SUP 0.99 #QF 0.99)
&rst
ixpk= 158, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 839, 840, 841,
&end
#
# 53 LEU HN 54 LYS+ HN 3.53 (#peak 160 #SUP 0.99 #QF 0.99)
&rst
ixpk= 160, nxpk= 0, iat= 826, 845, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 53 LEU HN 103 LEU QQD 4.74 (#peak 2025)
&rst
ixpk= 2025, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1671,1672,1673,1675,1676,1677,
&end
#
# 53 LEU QB 53 LEU QD1 2.85 (#peak 399)
&rst
ixpk= 399, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 830, 831,
igr2= 835, 836, 837,
&end
#
# 53 LEU QB 53 LEU QD2 2.95 (#peak 408)
&rst
ixpk= 408, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 830, 831,
igr2= 839, 840, 841,
&end
#
# 53 LEU QB 54 LYS+ HN 3.31 (#peak 166)
&rst
ixpk= 166, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 830, 831,
&end
#
# 53 LEU QD1 54 LYS+ HN 4.56 (#peak 391 #SUP 0.99 #QF 0.99)
&rst
ixpk= 391, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 835, 836, 837,
&end
#
# 53 LEU QD1 56 LEU HN 4.43 (#peak 200 #SUP 0.96 #QF 0.96)
&rst
ixpk= 200, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 835, 836, 837,
&end
#
# 53 LEU QD1 56 LEU QD1 3.49 (#peak 398 #SUP 0.98 #QF 0.98)
&rst
ixpk= 398, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 835, 836, 837,
igr2= 895, 896, 897,
&end
#
# 53 LEU QD1 57 LYS+ HN 4.28 (#peak 389 #SUP 0.96 #QF 0.96)
&rst
ixpk= 389, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 835, 836, 837,
&end
#
# 53 LEU QD1 57 LYS+ QD 3.63 (#peak 400 #SUP 1.00 #QF 0.99)
&rst
ixpk= 400, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 835, 836, 837,
igr2= 915, 916,
&end
#
# 53 LEU QD1 57 LYS+ QE 3.51 (#peak 593 #SUP 0.96 #QF 0.96)
&rst
ixpk= 593, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 835, 836, 837,
igr2= 918, 919,
&end
#
# 53 LEU QD1 57 LYS+ QG 3.58 (#peak 400)
&rst
ixpk= 400, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 835, 836, 837,
igr2= 912, 913,
&end
#
# 53 LEU QD1 61 ALA HN 5.50 (#peak 261 #SUP 0.54 #QF 0.54)
&rst
ixpk= 261, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 835, 836, 837,
&end
#
# 53 LEU QD1 64 ASP- HA 4.23 (#peak 394 #SUP 0.63 #QF 0.63)
&rst
ixpk= 394, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 835, 836, 837,
&end
#
# 53 LEU QD1 64 ASP- QB 5.11 (#peak 397 #SUP 0.89 #QF 0.89)
&rst
ixpk= 397, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 835, 836, 837,
igr2=1014,1015,
&end
#
# 53 LEU QD1 66 TYR QD 4.64 (#peak 392 #SUP 0.98 #QF 0.98)
&rst
ixpk= 392, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 835, 836, 837,
igr2=1044,1053,
&end
#
# 53 LEU QD1 66 TYR QE 3.49 (#peak 393 #SUP 0.96 #QF 0.96)
&rst
ixpk= 393, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 835, 836, 837,
igr2=1046,1051,
&end
#
# 53 LEU QD2 54 LYS+ HN 4.37 (#peak 172 #SUP 1.00)
&rst
ixpk= 172, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 839, 840, 841,
&end
#
# 53 LEU QD2 56 LEU QD1 5.23 (#peak 410 #SUP 0.97 #QF 0.97)
&rst
ixpk= 410, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 839, 840, 841,
igr2= 895, 896, 897,
&end
#
# 53 LEU QD2 64 ASP- QB 4.40 (#peak 407 #SUP 0.76 #QF 0.76)
&rst
ixpk= 407, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 839, 840, 841,
igr2=1014,1015,
&end
#
# 53 LEU QD2 66 TYR QE 4.63 (#peak 404 #SUP 0.98 #QF 0.98)
&rst
ixpk= 404, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 839, 840, 841,
igr2=1046,1051,
&end
#
# 54 LYS+ HA 54 LYS+ HG2 3.95 (#peak 428 #SUP 0.99 #QF 0.99)
&rst
ixpk= 428, nxpk= 0, iat= 847, 852, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 54 LYS+ HA 54 LYS+ HG3 3.95 (#peak 429 #SUP 0.99 #QF 0.99)
&rst
ixpk= 429, nxpk= 0, iat= 847, 853, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 54 LYS+ HA 54 LYS+ QD 4.41 (#peak 442 #SUP 0.99 #QF 0.99)
&rst
ixpk= 442, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 855, 856,
&end
#
# 54 LYS+ HA 54 LYS+ QE 5.02 (#peak 441)
&rst
ixpk= 441, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 858, 859,
&end
#
# 54 LYS+ HA 54 LYS+ QG 3.42 (#peak 429)
&rst
ixpk= 429, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 852, 853,
&end
#
# 54 LYS+ HA 57 LYS+ HN 3.95 (#peak 210 #SUP 0.83 #QF 0.83)
&rst
ixpk= 210, nxpk= 0, iat= 847, 905, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 54 LYS+ HA 57 LYS+ QD 3.95 (#peak 585 #SUP 0.80 #QF 0.80)
&rst
ixpk= 585, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 915, 916,
&end
#
# 54 LYS+ HA 57 LYS+ QE 4.68 (#peak 440 #SUP 0.47 #QF 0.47)
&rst
ixpk= 440, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 918, 919,
&end
#
# 54 LYS+ HA 57 LYS+ QG 4.67 (#peak 579)
&rst
ixpk= 579, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 912, 913,
&end
#
# 54 LYS+ HB2 54 LYS+ QD 3.38 (#peak 447 #SUP 0.98 #QF 0.98)
&rst
ixpk= 447, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 855, 856,
&end
#
# 54 LYS+ HB2 55 LEU HN 3.99 (#peak 182 #SUP 0.98 #QF 0.98)
&rst
ixpk= 182, nxpk= 0, iat= 849, 867, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 54 LYS+ HB3 54 LYS+ QD 3.38 (#peak 446 #SUP 0.95 #QF 0.95)
&rst
ixpk= 446, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 855, 856,
&end
#
# 54 LYS+ HB3 55 LEU HN 3.99 (#peak 181 #SUP 0.98 #QF 0.98)
&rst
ixpk= 181, nxpk= 0, iat= 850, 867, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 54 LYS+ HN 54 LYS+ HB2 3.29 (#peak 167 #SUP 0.99 #QF 0.99)
&rst
ixpk= 167, nxpk= 0, iat= 845, 849, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 54 LYS+ HN 54 LYS+ HB3 3.29 (#peak 165 #SUP 0.99 #QF 0.99)
&rst
ixpk= 165, nxpk= 0, iat= 845, 850, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 54 LYS+ HN 54 LYS+ HG2 4.61 (#peak 431 #SUP 0.90 #QF 0.90)
&rst
ixpk= 431, nxpk= 0, iat= 845, 852, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 54 LYS+ HN 54 LYS+ HG3 4.61 (#peak 169 #SUP 1.00)
&rst
ixpk= 169, nxpk= 0, iat= 845, 853, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 54 LYS+ HN 54 LYS+ QD 4.65 (#peak 444 #SUP 1.00)
&rst
ixpk= 444, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 855, 856,
&end
#
# 54 LYS+ HN 55 LEU HN 3.40 (#peak 161 #SUP 0.97 #QF 0.97)
&rst
ixpk= 161, nxpk= 0, iat= 845, 867, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 54 LYS+ HN 99 LEU QD1 5.50 (#peak 173 #SUP 0.96 #QF 0.57)
&rst
ixpk= 173, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1614,1615,1616,
&end
#
# 54 LYS+ HN 99 LEU QD2 5.32 (#peak 2276 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2276, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1618,1619,1620,
&end
#
# 54 LYS+ QB 54 LYS+ QE 3.56 (#peak 2316)
&rst
ixpk= 2316, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 849, 850,
igr2= 858, 859,
&end
#
# 54 LYS+ QB 55 LEU HN 3.47 (#peak 181)
&rst
ixpk= 181, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 849, 850,
&end
#
# 54 LYS+ QD 99 LEU QD1 4.80 (#peak 449 #SUP 0.92 #QF 0.24)
&rst
ixpk= 449, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 855, 856,
igr2=1614,1615,1616,
&end
#
# 54 LYS+ QD 99 LEU QD2 4.00 (#peak 450 #SUP 0.95 #QF 0.95)
&rst
ixpk= 450, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 855, 856,
igr2=1618,1619,1620,
&end
#
# 54 LYS+ QE 99 LEU QD1 3.94 (#peak 2097)
&rst
ixpk= 2097, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 858, 859,
igr2=1614,1615,1616,
&end
#
# 54 LYS+ QE 99 LEU QD2 3.85 (#peak 2311)
&rst
ixpk= 2311, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 858, 859,
igr2=1618,1619,1620,
&end
#
# 54 LYS+ QG 54 LYS+ QE 2.94 (#peak 2313)
&rst
ixpk= 2313, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 852, 853,
igr2= 858, 859,
&end
#
# 55 LEU HA 55 LEU HG 3.87 (#peak 507 #SUP 0.99 #QF 0.99)
&rst
ixpk= 507, nxpk= 0, iat= 869, 874, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 55 LEU HA 55 LEU QD1 3.67 (#peak 473 #SUP 0.95 #QF 0.95)
&rst
ixpk= 473, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 876, 877, 878,
&end
#
# 55 LEU HA 55 LEU QD2 3.67 (#peak 486 #SUP 0.99 #QF 0.99)
&rst
ixpk= 486, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 880, 881, 882,
&end
#
# 55 LEU HA 58 SER HN 4.26 (#peak 237 #SUP 0.48 #QF 0.48)
&rst
ixpk= 237, nxpk= 0, iat= 869, 927, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 55 LEU HA 78 TYR QE 5.07 (#peak 501 #SUP 0.96 #QF 0.96)
&rst
ixpk= 501, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1254,1259,
&end
#
# 55 LEU HA 99 LEU QD1 4.76 (#peak 2280 #SUP 1.00)
&rst
ixpk= 2280, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1614,1615,1616,
&end
#
# 55 LEU HA 99 LEU QD2 3.70 (#peak 2272 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2272, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1618,1619,1620,
&end
#
# 55 LEU HB2 55 LEU QD1 3.98 (#peak 475 #SUP 0.96 #QF 0.96)
&rst
ixpk= 475, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 876, 877, 878,
&end
#
# 55 LEU HB2 55 LEU QD2 3.98 (#peak 490 #SUP 0.71 #QF 0.71)
&rst
ixpk= 490, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 880, 881, 882,
&end
#
# 55 LEU HB2 56 LEU HN 4.11 (#peak 198 #SUP 0.75 #QF 0.75)
&rst
ixpk= 198, nxpk= 0, iat= 871, 886, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 55 LEU HB3 55 LEU QD1 3.98 (#peak 476 #SUP 1.00)
&rst
ixpk= 476, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 876, 877, 878,
&end
#
# 55 LEU HB3 55 LEU QD2 3.98 (#peak 460 #SUP 1.00)
&rst
ixpk= 460, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 880, 881, 882,
&end
#
# 55 LEU HB3 56 LEU HN 4.11 (#peak 199 #SUP 0.93 #QF 0.93)
&rst
ixpk= 199, nxpk= 0, iat= 872, 886, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 55 LEU HG 78 TYR QD 4.56 (#peak 496 #SUP 0.98 #QF 0.98)
&rst
ixpk= 496, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1252,1261,
&end
#
# 55 LEU HN 55 LEU HB2 3.35 (#peak 179 #SUP 1.00)
&rst
ixpk= 179, nxpk= 0, iat= 867, 871, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 55 LEU HN 55 LEU HB3 3.35 (#peak 180 #SUP 0.99 #QF 0.99)
&rst
ixpk= 180, nxpk= 0, iat= 867, 872, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 55 LEU HN 55 LEU HG 4.69 (#peak 495 #SUP 1.00)
&rst
ixpk= 495, nxpk= 0, iat= 867, 874, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 55 LEU HN 55 LEU QD1 4.43 (#peak 468 #SUP 0.99 #QF 0.99)
&rst
ixpk= 468, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 876, 877, 878,
&end
#
# 55 LEU HN 55 LEU QD2 4.43 (#peak 483 #SUP 1.00)
&rst
ixpk= 483, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 880, 881, 882,
&end
#
# 55 LEU HN 55 LEU QQD 3.84 (#peak 468)
&rst
ixpk= 468, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 876, 877, 878, 880, 881, 882,
&end
#
# 55 LEU HN 56 LEU HG 4.37 (#peak 183 #SUP 0.50 #QF 0.50)
&rst
ixpk= 183, nxpk= 0, iat= 867, 893, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 55 LEU HN 56 LEU HN 3.56 (#peak 192 #SUP 1.00)
&rst
ixpk= 192, nxpk= 0, iat= 867, 886, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 55 LEU HN 56 LEU QD2 5.50 (#peak 543 #SUP 1.00 #QF 0.97)
&rst
ixpk= 543, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 899, 900, 901,
&end
#
# 55 LEU HN 57 LYS+ HN 4.86 (#peak 208 #SUP 1.00 #QF 0.92)
&rst
ixpk= 208, nxpk= 0, iat= 867, 905, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 55 LEU HN 99 LEU QD1 4.59 (#peak 2096 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2096, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1614,1615,1616,
&end
#
# 55 LEU HN 99 LEU QD2 3.90 (#peak 2275 #SUP 1.00)
&rst
ixpk= 2275, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1618,1619,1620,
&end
#
# 55 LEU HN 103 LEU QQD 4.51 (#peak 187)
&rst
ixpk= 187, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1671,1672,1673,1675,1676,1677,
&end
#
# 55 LEU QB 55 LEU QQD 2.68 (#peak 475)
&rst
ixpk= 475, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 871, 872,
igr2= 876, 877, 878, 880, 881, 882,
&end
#
# 55 LEU QB 56 LEU HN 3.49 (#peak 199)
&rst
ixpk= 199, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 871, 872,
&end
#
# 55 LEU QB 78 TYR QD 5.34 (#peak 1082)
&rst
ixpk= 1082, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 871, 872,
igr2=1252,1261,
&end
#
# 55 LEU QB 103 LEU QQD 4.11 (#peak 463)
&rst
ixpk= 463, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 871, 872,
igr2=1671,1672,1673,1675,1676,1677,
&end
#
# 55 LEU QD1 56 LEU HN 5.01 (#peak 467 #SUP 0.95 #QF 0.95)
&rst
ixpk= 467, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 876, 877, 878,
&end
#
# 55 LEU QD1 75 LEU QD1 3.15 (#peak 478 #SUP 0.98 #QF 0.98)
&rst
ixpk= 478, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 876, 877, 878,
igr2=1210,1211,1212,
&end
#
# 55 LEU QD1 75 LEU QD2 5.02 (#peak 1034 #SUP 1.00)
&rst
ixpk= 1034, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 876, 877, 878,
igr2=1214,1215,1216,
&end
#
# 55 LEU QD1 78 TYR QD 3.80 (#peak 469 #SUP 1.00)
&rst
ixpk= 469, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 876, 877, 878,
igr2=1252,1261,
&end
#
# 55 LEU QD1 78 TYR QE 4.60 (#peak 470 #SUP 0.87 #QF 0.87)
&rst
ixpk= 470, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 876, 877, 878,
igr2=1254,1259,
&end
#
# 55 LEU QD2 56 LEU HN 5.01 (#peak 482 #SUP 0.94 #QF 0.94)
&rst
ixpk= 482, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 880, 881, 882,
&end
#
# 55 LEU QD2 75 LEU QD1 3.15 (#peak 493 #SUP 0.94 #QF 0.94)
&rst
ixpk= 493, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 880, 881, 882,
igr2=1210,1211,1212,
&end
#
# 55 LEU QD2 75 LEU QD2 5.02 (#peak 1033 #SUP 1.00)
&rst
ixpk= 1033, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 880, 881, 882,
igr2=1214,1215,1216,
&end
#
# 55 LEU QD2 78 TYR QD 3.80 (#peak 484 #SUP 0.93 #QF 0.93)
&rst
ixpk= 484, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 880, 881, 882,
igr2=1252,1261,
&end
#
# 55 LEU QD2 78 TYR QE 4.60 (#peak 2238 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2238, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 880, 881, 882,
igr2=1254,1259,
&end
#
# 55 LEU QQD 56 LEU HA 3.51 (#peak 487)
&rst
ixpk= 487, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 876, 877, 878, 880, 881, 882,
&end
#
# 55 LEU QQD 56 LEU HN 3.66 (#peak 482)
&rst
ixpk= 482, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 876, 877, 878, 880, 881, 882,
&end
#
# 55 LEU QQD 59 VAL QG1 4.15 (#peak 639)
&rst
ixpk= 639, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 876, 877, 878, 880, 881, 882,
igr2= 944, 945, 946,
&end
#
# 55 LEU QQD 59 VAL QG2 3.91 (#peak 626)
&rst
ixpk= 626, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 876, 877, 878, 880, 881, 882,
igr2= 948, 949, 950,
&end
#
# 55 LEU QQD 75 LEU HA 3.26 (#peak 485)
&rst
ixpk= 485, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 876, 877, 878, 880, 881, 882,
&end
#
# 55 LEU QQD 75 LEU HN 4.86 (#peak 480)
&rst
ixpk= 480, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 876, 877, 878, 880, 881, 882,
&end
#
# 55 LEU QQD 75 LEU QD1 2.64 (#peak 493)
&rst
ixpk= 493, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 876, 877, 878, 880, 881, 882,
igr2=1210,1211,1212,
&end
#
# 55 LEU QQD 75 LEU QD2 4.32 (#peak 1033)
&rst
ixpk= 1033, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 876, 877, 878, 880, 881, 882,
igr2=1214,1215,1216,
&end
#
# 55 LEU QQD 78 TYR HN 4.56 (#peak 481)
&rst
ixpk= 481, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 876, 877, 878, 880, 881, 882,
&end
#
# 55 LEU QQD 78 TYR QB 3.32 (#peak 489)
&rst
ixpk= 489, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 876, 877, 878, 880, 881, 882,
igr2=1248,1249,
&end
#
# 55 LEU QQD 78 TYR QE 3.62 (#peak 470)
&rst
ixpk= 470, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 876, 877, 878, 880, 881, 882,
igr2=1254,1259,
&end
#
# 55 LEU QQD 99 LEU HG 4.07 (#peak 2284)
&rst
ixpk= 2284, nxpk= 0, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 876, 877, 878, 880, 881, 882,
&end
#
# 55 LEU QQD 99 LEU QD1 3.63 (#peak 2281)
&rst
ixpk= 2281, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 876, 877, 878, 880, 881, 882,
igr2=1614,1615,1616,
&end
#
# 55 LEU QQD 99 LEU QD2 3.46 (#peak 2270)
&rst
ixpk= 2270, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 876, 877, 878, 880, 881, 882,
igr2=1618,1619,1620,
&end
#
# 55 LEU QQD 100 LEU HA 4.07 (#peak 472)
&rst
ixpk= 472, nxpk= 0, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 876, 877, 878, 880, 881, 882,
&end
#
# 55 LEU QQD 100 LEU QB 4.16 (#peak 1519)
&rst
ixpk= 1519, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 876, 877, 878, 880, 881, 882,
igr2=1628,1629,
&end
#
# 55 LEU QQD 100 LEU QD1 3.12 (#peak 479)
&rst
ixpk= 479, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 876, 877, 878, 880, 881, 882,
igr2=1633,1634,1635,
&end
#
# 55 LEU QQD 103 LEU HG 3.76 (#peak 476)
&rst
ixpk= 476, nxpk= 0, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 876, 877, 878, 880, 881, 882,
&end
#
# 55 LEU QQD 103 LEU QQD 3.07 (#peak 2032)
&rst
ixpk= 2032, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 876, 877, 878, 880, 881, 882,
igr2=1671,1672,1673,1675,1676,1677,
&end
#
# 56 LEU HA 56 LEU QD1 4.48 (#peak 530 #SUP 0.91 #QF 0.91)
&rst
ixpk= 530, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 895, 896, 897,
&end
#
# 56 LEU HA 56 LEU QD2 3.02 (#peak 557 #SUP 0.90 #QF 0.90)
&rst
ixpk= 557, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 899, 900, 901,
&end
#
# 56 LEU HA 59 VAL HN 4.45 (#peak 526 #SUP 0.89 #QF 0.89)
&rst
ixpk= 526, nxpk= 0, iat= 888, 938, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 56 LEU HA 59 VAL QG2 3.32 (#peak 619 #SUP 0.82 #QF 0.82)
&rst
ixpk= 619, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 948, 949, 950,
&end
#
# 56 LEU HA 61 ALA QB 3.98 (#peak 651 #SUP 0.95 #QF 0.95)
&rst
ixpk= 651, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 965, 966, 967,
&end
#
# 56 LEU HB2 56 LEU QD1 3.64 (#peak 537 #SUP 1.00)
&rst
ixpk= 537, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 895, 896, 897,
&end
#
# 56 LEU HB2 57 LYS+ HN 4.19 (#peak 217 #SUP 0.99 #QF 0.99)
&rst
ixpk= 217, nxpk= 0, iat= 890, 905, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 56 LEU HB2 61 ALA QB 3.61 (#peak 655 #SUP 0.98 #QF 0.98)
&rst
ixpk= 655, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 965, 966, 967,
&end
#
# 56 LEU HB3 56 LEU QD1 3.64 (#peak 534 #SUP 1.00)
&rst
ixpk= 534, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 895, 896, 897,
&end
#
# 56 LEU HB3 57 LYS+ HN 4.19 (#peak 214 #SUP 0.97 #QF 0.97)
&rst
ixpk= 214, nxpk= 0, iat= 891, 905, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 56 LEU HB3 61 ALA QB 3.61 (#peak 658 #SUP 0.94 #QF 0.94)
&rst
ixpk= 658, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 965, 966, 967,
&end
#
# 56 LEU HG 61 ALA QB 4.85 (#peak 654 #SUP 0.96 #QF 0.96)
&rst
ixpk= 654, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 965, 966, 967,
&end
#
# 56 LEU HN 56 LEU HB2 3.98 (#peak 196 #SUP 0.99 #QF 0.99)
&rst
ixpk= 196, nxpk= 0, iat= 886, 890, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 56 LEU HN 56 LEU HB3 3.98 (#peak 201 #SUP 1.00)
&rst
ixpk= 201, nxpk= 0, iat= 886, 891, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 56 LEU HN 56 LEU HG 3.36 (#peak 197 #SUP 0.96 #QF 0.96)
&rst
ixpk= 197, nxpk= 0, iat= 886, 893, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 56 LEU HN 56 LEU QB 3.31 (#peak 196)
&rst
ixpk= 196, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 890, 891,
&end
#
# 56 LEU HN 56 LEU QD1 4.12 (#peak 511 #SUP 1.00)
&rst
ixpk= 511, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 895, 896, 897,
&end
#
# 56 LEU HN 56 LEU QD2 3.78 (#peak 542 #SUP 0.99 #QF 0.98)
&rst
ixpk= 542, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 899, 900, 901,
&end
#
# 56 LEU HN 57 LYS+ HN 3.65 (#peak 191 #SUP 1.00)
&rst
ixpk= 191, nxpk= 0, iat= 886, 905, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 56 LEU HN 58 SER HN 4.52 (#peak 242 #SUP 0.94 #QF 0.94)
&rst
ixpk= 242, nxpk= 0, iat= 886, 927, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 56 LEU HN 59 VAL QG2 5.27 (#peak 607 #SUP 0.89 #QF 0.80)
&rst
ixpk= 607, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 948, 949, 950,
&end
#
# 56 LEU HN 61 ALA QB 4.62 (#peak 643 #SUP 0.95 #QF 0.95)
&rst
ixpk= 643, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 965, 966, 967,
&end
#
# 56 LEU QB 56 LEU QD2 3.32 (#peak 549)
&rst
ixpk= 549, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 890, 891,
igr2= 899, 900, 901,
&end
#
# 56 LEU QB 57 LYS+ HN 3.47 (#peak 217)
&rst
ixpk= 217, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 890, 891,
&end
#
# 56 LEU QB 61 ALA QB 3.04 (#peak 658)
&rst
ixpk= 658, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 890, 891,
igr2= 965, 966, 967,
&end
#
# 56 LEU QD1 57 LYS+ HN 4.60 (#peak 212 #SUP 0.92 #QF 0.92)
&rst
ixpk= 212, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 895, 896, 897,
&end
#
# 56 LEU QD1 66 TYR QE 4.41 (#peak 752 #SUP 0.91 #QF 0.91)
&rst
ixpk= 752, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 895, 896, 897,
igr2=1046,1051,
&end
#
# 56 LEU QD1 71 VAL HA 4.16 (#peak 845 #SUP 0.98 #QF 0.98)
&rst
ixpk= 845, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 895, 896, 897,
&end
#
# 56 LEU QD1 71 VAL QG1 3.38 (#peak 876 #SUP 0.93 #QF 0.93)
&rst
ixpk= 876, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 895, 896, 897,
igr2=1131,1132,1133,
&end
#
# 56 LEU QD1 71 VAL QG2 3.52 (#peak 865 #SUP 0.94 #QF 0.94)
&rst
ixpk= 865, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 895, 896, 897,
igr2=1135,1136,1137,
&end
#
# 56 LEU QD2 57 LYS+ HN 4.98 (#peak 541 #SUP 0.95 #QF 0.95)
&rst
ixpk= 541, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 899, 900, 901,
&end
#
# 56 LEU QD2 59 VAL HN 5.50 (#peak 543 #SUP 1.00 #QF 0.97)
&rst
ixpk= 543, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 899, 900, 901,
&end
#
# 56 LEU QD2 59 VAL QG2 3.83 (#peak 560 #SUP 0.99 #QF 0.99)
&rst
ixpk= 560, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 899, 900, 901,
igr2= 948, 949, 950,
&end
#
# 56 LEU QD2 66 TYR QE 5.50 (#peak 546 #SUP 0.97 #QF 0.97)
&rst
ixpk= 546, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 899, 900, 901,
igr2=1046,1051,
&end
#
# 56 LEU QD2 71 VAL HA 3.54 (#peak 556 #SUP 0.98 #QF 0.98)
&rst
ixpk= 556, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 899, 900, 901,
&end
#
# 56 LEU QD2 71 VAL QG1 3.18 (#peak 875 #SUP 0.97 #QF 0.97)
&rst
ixpk= 875, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 899, 900, 901,
igr2=1131,1132,1133,
&end
#
# 56 LEU QD2 74 TYR HB2 3.34 (#peak 554 #SUP 0.99 #QF 0.99)
&rst
ixpk= 554, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 899, 900, 901,
&end
#
# 56 LEU QD2 74 TYR HB3 3.35 (#peak 555 #SUP 0.97 #QF 0.97)
&rst
ixpk= 555, nxpk= 0, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 899, 900, 901,
&end
#
# 56 LEU QD2 74 TYR HN 4.20 (#peak 428 #SUP 0.98 #QF 0.98)
&rst
ixpk= 428, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 899, 900, 901,
&end
#
# 56 LEU QD2 74 TYR QD 3.68 (#peak 544 #SUP 0.98 #QF 0.98)
&rst
ixpk= 544, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 899, 900, 901,
igr2=1188,1197,
&end
#
# 56 LEU QD2 74 TYR QE 5.11 (#peak 545 #SUP 0.92 #QF 0.92)
&rst
ixpk= 545, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 899, 900, 901,
igr2=1190,1195,
&end
#
# 56 LEU QD2 75 LEU HA 3.97 (#peak 559 #SUP 0.77 #QF 0.46)
&rst
ixpk= 559, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 899, 900, 901,
&end
#
# 56 LEU QD2 75 LEU HB2 4.68 (#peak 903 #SUP 0.99 #QF 0.99)
&rst
ixpk= 903, nxpk= 0, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 899, 900, 901,
&end
#
# 56 LEU QD2 75 LEU HB3 4.68 (#peak 563 #SUP 0.93 #QF 0.93)
&rst
ixpk= 563, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 899, 900, 901,
&end
#
# 56 LEU QD2 75 LEU HN 3.83 (#peak 540 #SUP 1.00)
&rst
ixpk= 540, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 899, 900, 901,
&end
#
# 56 LEU QD2 75 LEU QB 4.03 (#peak 563)
&rst
ixpk= 563, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 899, 900, 901,
igr2=1205,1206,
&end
#
# 56 LEU QD2 75 LEU QD2 4.38 (#peak 548 #SUP 0.93 #QF 0.93)
&rst
ixpk= 548, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 899, 900, 901,
igr2=1214,1215,1216,
&end
#
# 57 LYS+ HA 57 LYS+ HG2 3.84 (#peak 576 #SUP 0.99 #QF 0.99)
&rst
ixpk= 576, nxpk= 0, iat= 907, 912, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 57 LYS+ HA 57 LYS+ HG3 3.84 (#peak 570 #SUP 0.97 #QF 0.95)
&rst
ixpk= 570, nxpk= 0, iat= 907, 913, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 57 LYS+ HA 57 LYS+ QD 4.24 (#peak 584 #SUP 0.90 #QF 0.90)
&rst
ixpk= 584, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 915, 916,
&end
#
# 57 LYS+ HA 57 LYS+ QG 3.37 (#peak 576)
&rst
ixpk= 576, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 912, 913,
&end
#
# 57 LYS+ HA 59 VAL HN 4.24 (#peak 225 #SUP 0.99 #QF 0.99)
&rst
ixpk= 225, nxpk= 0, iat= 907, 938, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 57 LYS+ HA 59 VAL QG2 4.63 (#peak 616 #SUP 0.99 #QF 0.99)
&rst
ixpk= 616, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 948, 949, 950,
&end
#
# 57 LYS+ HA 60 GLY HN 4.21 (#peak 247 #SUP 0.90 #QF 0.90)
&rst
ixpk= 247, nxpk= 0, iat= 907, 954, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 57 LYS+ HA 61 ALA HN 3.45 (#peak 255 #SUP 0.97 #QF 0.97)
&rst
ixpk= 255, nxpk= 0, iat= 907, 961, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 57 LYS+ HA 61 ALA QB 3.51 (#peak 649 #SUP 0.98 #QF 0.98)
&rst
ixpk= 649, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 965, 966, 967,
&end
#
# 57 LYS+ HG2 57 LYS+ QE 3.88 (#peak 592 #SUP 0.97 #QF 0.97)
&rst
ixpk= 592, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 918, 919,
&end
#
# 57 LYS+ HG3 57 LYS+ QE 3.88 (#peak 578 #SUP 1.00)
&rst
ixpk= 578, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 918, 919,
&end
#
# 57 LYS+ HN 57 LYS+ QB 3.16 (#peak 218 #SUP 0.93 #QF 0.93)
&rst
ixpk= 218, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 909, 910,
&end
#
# 57 LYS+ HN 57 LYS+ QD 4.22 (#peak 582 #SUP 1.00)
&rst
ixpk= 582, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 915, 916,
&end
#
# 57 LYS+ HN 57 LYS+ QE 4.91 (#peak 219 #SUP 0.93 #QF 0.93)
&rst
ixpk= 219, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 918, 919,
&end
#
# 57 LYS+ HN 57 LYS+ QG 3.16 (#peak 216)
&rst
ixpk= 216, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 912, 913,
&end
#
# 57 LYS+ HN 58 SER HN 3.36 (#peak 232 #SUP 0.98 #QF 0.98)
&rst
ixpk= 232, nxpk= 0, iat= 905, 927, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 57 LYS+ HN 59 VAL HN 4.62 (#peak 222 #SUP 1.00)
&rst
ixpk= 222, nxpk= 0, iat= 905, 938, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 57 LYS+ HN 61 ALA HN 5.31 (#peak 253 #SUP 0.99 #QF 0.99)
&rst
ixpk= 253, nxpk= 0, iat= 905, 961, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 57 LYS+ HN 61 ALA QB 4.12 (#peak 213 #SUP 0.99 #QF 0.99)
&rst
ixpk= 213, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 965, 966, 967,
&end
#
# 57 LYS+ QB 57 LYS+ QD 2.91 (#peak 587 #SUP 1.00)
&rst
ixpk= 587, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 909, 910,
igr2= 915, 916,
&end
#
# 57 LYS+ QB 57 LYS+ QE 3.55 (#peak 590 #SUP 0.96 #QF 0.96)
&rst
ixpk= 590, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 909, 910,
igr2= 918, 919,
&end
#
# 57 LYS+ QB 58 SER HN 3.72 (#peak 238 #SUP 0.97 #QF 0.97)
&rst
ixpk= 238, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 909, 910,
&end
#
# 57 LYS+ QB 59 VAL HN 5.06 (#peak 231 #SUP 0.95 #QF 0.95)
&rst
ixpk= 231, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 909, 910,
&end
#
# 57 LYS+ QB 61 ALA HN 4.54 (#peak 258 #SUP 0.75 #QF 0.75)
&rst
ixpk= 258, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 909, 910,
&end
#
# 57 LYS+ QD 57 LYS+ QE 2.71 (#peak 591 #SUP 0.99 #QF 0.38)
&rst
ixpk= 591, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1= 915, 916,
igr2= 918, 919,
&end
#
# 57 LYS+ QD 58 SER HN 5.50 (#peak 239 #SUP 0.98 #QF 0.97)
&rst
ixpk= 239, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 915, 916,
&end
#
# 57 LYS+ QD 61 ALA HN 5.50 (#peak 259 #SUP 0.94 #QF 0.82)
&rst
ixpk= 259, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 915, 916,
&end
#
# 57 LYS+ QD 61 ALA QB 4.56 (#peak 656 #SUP 0.96 #QF 0.80)
&rst
ixpk= 656, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 915, 916,
igr2= 965, 966, 967,
&end
#
# 57 LYS+ QD 66 TYR QE 5.14 (#peak 583 #SUP 0.50 #QF 0.50)
&rst
ixpk= 583, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 915, 916,
igr2=1046,1051,
&end
#
# 57 LYS+ QE 61 ALA QB 5.02 (#peak 653 #SUP 0.97 #QF 0.91)
&rst
ixpk= 653, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 918, 919,
igr2= 965, 966, 967,
&end
#
# 57 LYS+ QG 57 LYS+ QE 3.13 (#peak 592)
&rst
ixpk= 592, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 912, 913,
igr2= 918, 919,
&end
#
# 57 LYS+ QG 58 SER HN 4.73 (#peak 239)
&rst
ixpk= 239, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 912, 913,
&end
#
# 57 LYS+ QG 61 ALA HN 5.34 (#peak 259)
&rst
ixpk= 259, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 912, 913,
&end
#
# 57 LYS+ QG 61 ALA QB 3.95 (#peak 656)
&rst
ixpk= 656, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 912, 913,
igr2= 965, 966, 967,
&end
#
# 58 SER HG 59 VAL HN 4.38 (#peak 224 #SUP 0.93 #QF 0.93)
&rst
ixpk= 224, nxpk= 0, iat= 934, 938, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 58 SER HN 58 SER HG 3.44 (#peak 234 #SUP 0.83 #QF 0.83)
&rst
ixpk= 234, nxpk= 0, iat= 927, 934, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 58 SER HN 58 SER QB 3.26 (#peak 236)
&rst
ixpk= 236, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 931, 932,
&end
#
# 58 SER HN 59 VAL HN 3.40 (#peak 233 #SUP 1.00)
&rst
ixpk= 233, nxpk= 0, iat= 927, 938, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 58 SER HN 59 VAL QG1 4.74 (#peak 241 #SUP 0.95 #QF 0.95)
&rst
ixpk= 241, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 944, 945, 946,
&end
#
# 58 SER HN 59 VAL QG2 4.56 (#peak 240 #SUP 0.97 #QF 0.97)
&rst
ixpk= 240, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 948, 949, 950,
&end
#
# 59 VAL HA 59 VAL QG1 3.59 (#peak 632 #SUP 0.99 #QF 0.99)
&rst
ixpk= 632, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 944, 945, 946,
&end
#
# 59 VAL HA 60 GLY HN 3.56 (#peak 244 #SUP 0.97 #QF 0.97)
&rst
ixpk= 244, nxpk= 0, iat= 940, 954, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 59 VAL HB 60 GLY HN 4.62 (#peak 251 #SUP 0.98 #QF 0.98)
&rst
ixpk= 251, nxpk= 0, iat= 942, 954, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 59 VAL HB 74 TYR QD 4.46 (#peak 602 #SUP 0.93 #QF 0.93)
&rst
ixpk= 602, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1188,1197,
&end
#
# 59 VAL HN 59 VAL QG1 3.76 (#peak 229 #SUP 0.96 #QF 0.96)
&rst
ixpk= 229, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 944, 945, 946,
&end
#
# 59 VAL HN 59 VAL QG2 3.07 (#peak 611 #SUP 0.99 #QF 0.99)
&rst
ixpk= 611, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 948, 949, 950,
&end
#
# 59 VAL HN 60 GLY HN 3.25 (#peak 243 #SUP 0.99 #QF 0.99)
&rst
ixpk= 243, nxpk= 0, iat= 938, 954, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 59 VAL HN 60 GLY QA 4.72 (#peak 226)
&rst
ixpk= 226, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 956, 957,
&end
#
# 59 VAL HN 61 ALA QB 4.68 (#peak 645 #SUP 0.96 #QF 0.96)
&rst
ixpk= 645, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 965, 966, 967,
&end
#
# 59 VAL QG1 60 GLY HN 4.43 (#peak 249 #SUP 1.00)
&rst
ixpk= 249, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 944, 945, 946,
&end
#
# 59 VAL QG1 74 TYR HA 5.14 (#peak 635 #SUP 0.95 #QF 0.44)
&rst
ixpk= 635, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 944, 945, 946,
&end
#
# 59 VAL QG1 74 TYR QD 5.20 (#peak 631 #SUP 0.93 #QF 0.93)
&rst
ixpk= 631, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 944, 945, 946,
igr2=1188,1197,
&end
#
# 59 VAL QG1 78 TYR HA 3.16 (#peak 633 #SUP 0.99 #QF 0.99)
&rst
ixpk= 633, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 944, 945, 946,
&end
#
# 59 VAL QG1 78 TYR HB2 3.99 (#peak 637 #SUP 0.98 #QF 0.98)
&rst
ixpk= 637, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 944, 945, 946,
&end
#
# 59 VAL QG1 78 TYR HB3 3.99 (#peak 634 #SUP 0.99 #QF 0.99)
&rst
ixpk= 634, nxpk= 0, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 944, 945, 946,
&end
#
# 59 VAL QG1 78 TYR HN 3.78 (#peak 628 #SUP 0.99 #QF 0.99)
&rst
ixpk= 628, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 944, 945, 946,
&end
#
# 59 VAL QG1 78 TYR QB 3.40 (#peak 637)
&rst
ixpk= 637, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 944, 945, 946,
igr2=1248,1249,
&end
#
# 59 VAL QG1 78 TYR QD 3.35 (#peak 630 #SUP 0.99 #QF 0.99)
&rst
ixpk= 630, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 944, 945, 946,
igr2=1252,1261,
&end
#
# 59 VAL QG1 78 TYR QE 4.19 (#peak 2234 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2234, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 944, 945, 946,
igr2=1254,1259,
&end
#
# 59 VAL QG1 81 THR HB 4.46 (#peak 1189 #SUP 0.72 #QF 0.72)
&rst
ixpk= 1189, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 944, 945, 946,
&end
#
# 59 VAL QG2 60 GLY HN 4.05 (#peak 252 #SUP 1.00)
&rst
ixpk= 252, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 948, 949, 950,
&end
#
# 59 VAL QG2 61 ALA HN 4.89 (#peak 260 #SUP 0.98 #QF 0.98)
&rst
ixpk= 260, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 948, 949, 950,
&end
#
# 59 VAL QG2 61 ALA QB 3.90 (#peak 657 #SUP 0.96 #QF 0.96)
&rst
ixpk= 657, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 948, 949, 950,
igr2= 965, 966, 967,
&end
#
# 59 VAL QG2 74 TYR HA 3.81 (#peak 617 #SUP 0.95 #QF 0.95)
&rst
ixpk= 617, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 948, 949, 950,
&end
#
# 59 VAL QG2 74 TYR HB2 4.13 (#peak 620 #SUP 0.60 #QF 0.60)
&rst
ixpk= 620, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 948, 949, 950,
&end
#
# 59 VAL QG2 74 TYR HB3 3.36 (#peak 621 #SUP 0.89 #QF 0.89)
&rst
ixpk= 621, nxpk= 0, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 948, 949, 950,
&end
#
# 59 VAL QG2 74 TYR HN 5.50 (#peak 607 #SUP 0.89 #QF 0.80)
&rst
ixpk= 607, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 948, 949, 950,
&end
#
# 59 VAL QG2 74 TYR QD 3.25 (#peak 612 #SUP 0.97 #QF 0.97)
&rst
ixpk= 612, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 948, 949, 950,
igr2=1188,1197,
&end
#
# 59 VAL QG2 74 TYR QE 4.18 (#peak 613 #SUP 0.99 #QF 0.99)
&rst
ixpk= 613, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 948, 949, 950,
igr2=1190,1195,
&end
#
# 59 VAL QG2 77 GLN HB2 4.57 (#peak 1049 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1049, nxpk= 0, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 948, 949, 950,
&end
#
# 59 VAL QG2 77 GLN HB3 4.57 (#peak 624 #SUP 0.83 #QF 0.83)
&rst
ixpk= 624, nxpk= 0, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 948, 949, 950,
&end
#
# 59 VAL QG2 78 TYR HA 4.39 (#peak 618 #SUP 0.95 #QF 0.95)
&rst
ixpk= 618, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 948, 949, 950,
&end
#
# 59 VAL QG2 78 TYR HN 4.00 (#peak 606 #SUP 0.92 #QF 0.92)
&rst
ixpk= 606, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 948, 949, 950,
&end
#
# 59 VAL QG2 78 TYR QB 4.29 (#peak 1067)
&rst
ixpk= 1067, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 948, 949, 950,
igr2=1248,1249,
&end
#
# 59 VAL QG2 78 TYR QD 4.32 (#peak 614 #SUP 0.96 #QF 0.96)
&rst
ixpk= 614, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 948, 949, 950,
igr2=1252,1261,
&end
#
# 60 GLY HN 61 ALA HN 3.37 (#peak 263 #SUP 0.81 #QF 0.81)
&rst
ixpk= 263, nxpk= 0, iat= 954, 961, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 60 GLY HN 61 ALA QB 4.28 (#peak 644 #SUP 1.00 #QF 0.99)
&rst
ixpk= 644, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 965, 966, 967,
&end
#
# 61 ALA HA 63 LYS+ HN 4.39 (#peak 890 #SUP 0.82 #QF 0.82)
&rst
ixpk= 890, nxpk= 0, iat= 963, 988, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 61 ALA HN 61 ALA QB 2.96 (#peak 262 #SUP 0.98 #QF 0.98)
&rst
ixpk= 262, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 965, 966, 967,
&end
#
# 61 ALA QB 62 GLN HN 4.62 (#peak 302 #SUP 0.94 #QF 0.94)
&rst
ixpk= 302, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 965, 966, 967,
&end
#
# 61 ALA QB 63 LYS+ HN 4.75 (#peak 311 #SUP 0.97 #QF 0.97)
&rst
ixpk= 311, nxpk= 0, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 965, 966, 967,
&end
#
# 61 ALA QB 66 TYR QE 3.37 (#peak 648 #SUP 0.89 #QF 0.89)
&rst
ixpk= 648, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 965, 966, 967,
igr2=1046,1051,
&end
#
# 61 ALA QB 74 TYR HB2 5.50 (#peak 653 #SUP 0.97 #QF 0.91)
&rst
ixpk= 653, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 965, 966, 967,
&end
#
# 61 ALA QB 74 TYR HB3 4.66 (#peak 652 #SUP 0.82 #QF 0.82)
&rst
ixpk= 652, nxpk= 0, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 965, 966, 967,
&end
#
# 61 ALA QB 74 TYR QD 4.07 (#peak 646 #SUP 0.93 #QF 0.93)
&rst
ixpk= 646, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 965, 966, 967,
igr2=1188,1197,
&end
#
# 61 ALA QB 74 TYR QE 3.92 (#peak 647 #SUP 0.97 #QF 0.97)
&rst
ixpk= 647, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 965, 966, 967,
igr2=1190,1195,
&end
#
# 62 GLN HA 62 GLN HG2 4.16 (#peak 2256 #SUP 1.00)
&rst
ixpk= 2256, nxpk= 0, iat= 973, 978, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 62 GLN HA 62 GLN HG3 4.16 (#peak 2257 #SUP 1.00)
&rst
ixpk= 2257, nxpk= 0, iat= 973, 979, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 62 GLN HN 62 GLN QG 4.53 (#peak 889)
&rst
ixpk= 889, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 978, 979,
&end
#
# 62 GLN HN 63 LYS+ HN 3.96 (#peak 303 #SUP 0.94 #QF 0.94)
&rst
ixpk= 303, nxpk= 0, iat= 971, 988, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 63 LYS+ HA 65 THR HN 4.61 (#peak 315 #SUP 0.96 #QF 0.96)
&rst
ixpk= 315, nxpk= 0, iat= 990,1022, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 63 LYS+ HN 63 LYS+ HB2 4.07 (#peak 308 #SUP 1.00)
&rst
ixpk= 308, nxpk= 0, iat= 988, 992, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 63 LYS+ HN 63 LYS+ HB3 4.07 (#peak 309 #SUP 0.98 #QF 0.98)
&rst
ixpk= 309, nxpk= 0, iat= 988, 993, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 63 LYS+ HN 63 LYS+ HG2 4.07 (#peak 310 #SUP 0.98 #QF 0.98)
&rst
ixpk= 310, nxpk= 0, iat= 988, 995, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 63 LYS+ HN 63 LYS+ HG3 4.07 (#peak 312 #SUP 0.75 #QF 0.75)
&rst
ixpk= 312, nxpk= 0, iat= 988, 996, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 63 LYS+ HN 63 LYS+ QB 3.52 (#peak 309)
&rst
ixpk= 309, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 992, 993,
&end
#
# 63 LYS+ HN 63 LYS+ QD 5.07 (#peak 313)
&rst
ixpk= 313, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 998, 999,
&end
#
# 63 LYS+ HN 63 LYS+ QG 3.49 (#peak 312)
&rst
ixpk= 312, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 995, 996,
&end
#
# 63 LYS+ HN 66 TYR QE 4.35 (#peak 304 #SUP 0.66 #QF 0.66)
&rst
ixpk= 304, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1046,1051,
&end
#
# 63 LYS+ QB 63 LYS+ QE 4.04 (#peak 713)
&rst
ixpk= 713, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 992, 993,
igr2=1001,1002,
&end
#
# 63 LYS+ QB 65 THR HN 3.49 (#peak 322)
&rst
ixpk= 322, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 992, 993,
&end
#
# 63 LYS+ QB 66 TYR QD 5.02 (#peak 709)
&rst
ixpk= 709, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 992, 993,
igr2=1044,1053,
&end
#
# 63 LYS+ QD 65 THR HN 4.18 (#peak 318)
&rst
ixpk= 318, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 998, 999,
&end
#
# 63 LYS+ QG 63 LYS+ QE 3.34 (#peak 718)
&rst
ixpk= 718, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 995, 996,
igr2=1001,1002,
&end
#
# 63 LYS+ QG 65 THR HN 5.06 (#peak 320)
&rst
ixpk= 320, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 995, 996,
&end
#
# 63 LYS+ QG 66 TYR QE 4.75 (#peak 756)
&rst
ixpk= 756, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 995, 996,
igr2=1046,1051,
&end
#
# 64 ASP- QB 65 THR HN 3.93 (#peak 317 #SUP 0.95 #QF 0.95)
&rst
ixpk= 317, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1014,1015,
&end
#
# 65 THR HA 65 THR QG2 3.58 (#peak 724 #SUP 1.00)
&rst
ixpk= 724, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1028,1029,1030,
&end
#
# 65 THR HA 66 TYR HN 3.15 (#peak 326 #SUP 1.00 #QF 0.87)
&rst
ixpk= 326, nxpk= 0, iat=1024,1036, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 65 THR HB 66 TYR HN 3.54 (#peak 329 #SUP 0.97 #QF 0.97)
&rst
ixpk= 329, nxpk= 0, iat=1026,1036, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 65 THR HN 65 THR HB 4.09 (#peak 316 #SUP 1.00)
&rst
ixpk= 316, nxpk= 0, iat=1022,1026, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 65 THR HN 65 THR QG2 3.70 (#peak 321 #SUP 0.88 #QF 0.88)
&rst
ixpk= 321, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1028,1029,1030,
&end
#
# 65 THR QG2 66 TYR HN 3.95 (#peak 332 #SUP 0.98 #QF 0.98)
&rst
ixpk= 332, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1028,1029,1030,
&end
#
# 66 TYR HA 67 THR HN 3.37 (#peak 338 #SUP 0.95 #QF 0.95)
&rst
ixpk= 338, nxpk= 0, iat=1038,1057, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 66 TYR HA 67 THR QG2 4.60 (#peak 764 #SUP 0.84 #QF 0.84)
&rst
ixpk= 764, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1063,1064,1065,
&end
#
# 66 TYR HB2 67 THR HN 4.33 (#peak 343 #SUP 0.99 #QF 0.99)
&rst
ixpk= 343, nxpk= 0, iat=1040,1057, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 66 TYR HB2 71 VAL QG2 3.64 (#peak 862 #SUP 0.94 #QF 0.94)
&rst
ixpk= 862, nxpk= 0, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1135,1136,1137,
&end
#
# 66 TYR HB3 67 THR HN 4.33 (#peak 340 #SUP 0.96 #QF 0.96)
&rst
ixpk= 340, nxpk= 0, iat=1041,1057, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 66 TYR HB3 71 VAL QG2 3.64 (#peak 858 #SUP 0.97 #QF 0.97)
&rst
ixpk= 858, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1135,1136,1137,
&end
#
# 66 TYR HN 66 TYR HB2 4.15 (#peak 331 #SUP 0.88 #QF 0.88)
&rst
ixpk= 331, nxpk= 0, iat=1036,1040, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 66 TYR HN 66 TYR HB3 4.15 (#peak 330 #SUP 0.97 #QF 0.97)
&rst
ixpk= 330, nxpk= 0, iat=1036,1041, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 66 TYR HN 66 TYR QB 3.52 (#peak 331)
&rst
ixpk= 331, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1040,1041,
&end
#
# 66 TYR HN 66 TYR QD 3.80 (#peak 324 #SUP 0.93 #QF 0.93)
&rst
ixpk= 324, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1044,1053,
&end
#
# 66 TYR HN 71 VAL QG2 4.46 (#peak 852 #SUP 0.99 #QF 0.33)
&rst
ixpk= 852, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1135,1136,1137,
&end
#
# 66 TYR QB 67 THR HN 3.68 (#peak 340)
&rst
ixpk= 340, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1040,1041,
&end
#
# 66 TYR QB 70 GLU- HB2 4.50 (#peak 826)
&rst
ixpk= 826, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1040,1041,
&end
#
# 66 TYR QB 71 VAL HN 4.59 (#peak 744)
&rst
ixpk= 744, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1040,1041,
&end
#
# 66 TYR QB 71 VAL QG2 3.10 (#peak 862)
&rst
ixpk= 862, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1040,1041,
igr2=1135,1136,1137,
&end
#
# 66 TYR QD 67 THR HN 4.49 (#peak 336 #SUP 1.00)
&rst
ixpk= 336, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1044,1053,
&end
#
# 66 TYR QD 70 GLU- HB2 4.55 (#peak 825 #SUP 0.90 #QF 0.90)
&rst
ixpk= 825, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1044,1053,
&end
#
# 66 TYR QD 70 GLU- HN 5.50 (#peak 386 #SUP 0.98 #QF 0.98)
&rst
ixpk= 386, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1044,1053,
&end
#
# 66 TYR QD 71 VAL QG1 5.50 (#peak 871 #SUP 1.00)
&rst
ixpk= 871, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1044,1053,
igr2=1131,1132,1133,
&end
#
# 66 TYR QD 71 VAL QG2 3.93 (#peak 856 #SUP 0.96 #QF 0.96)
&rst
ixpk= 856, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1044,1053,
igr2=1135,1136,1137,
&end
#
# 66 TYR QE 71 VAL QG2 5.50 (#peak 754 #SUP 0.85 #QF 0.85)
&rst
ixpk= 754, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1046,1051,
igr2=1135,1136,1137,
&end
#
# 66 TYR QE 74 TYR QE 4.19 (#peak 991 #SUP 0.70 #QF 0.70)
&rst
ixpk= 991, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1046,1051,
igr2=1190,1195,
&end
#
# 67 THR HA 67 THR QG2 3.51 (#peak 762 #SUP 0.96 #QF 0.96)
&rst
ixpk= 762, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1063,1064,1065,
&end
#
# 67 THR HB 68 MET HN 3.79 (#peak 349 #SUP 0.76 #QF 0.76)
&rst
ixpk= 349, nxpk= 0, iat=1061,1071, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 67 THR HN 67 THR QG2 3.38 (#peak 759 #SUP 1.00)
&rst
ixpk= 759, nxpk= 0, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1063,1064,1065,
&end
#
# 67 THR HN 70 GLU- HB2 4.03 (#peak 342 #SUP 0.79 #QF 0.79)
&rst
ixpk= 342, nxpk= 0, iat=1057,1114, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 67 THR HN 70 GLU- HB3 3.77 (#peak 341 #SUP 0.74 #QF 0.74)
&rst
ixpk= 341, nxpk= 0, iat=1057,1115, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 67 THR HN 70 GLU- HN 4.29 (#peak 373 #SUP 1.00)
&rst
ixpk= 373, nxpk= 0, iat=1057,1110, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 67 THR HN 71 VAL HN 4.72 (#peak 335 #SUP 0.98 #QF 0.98)
&rst
ixpk= 335, nxpk= 0, iat=1057,1125, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 67 THR HN 71 VAL QG2 4.40 (#peak 345 #SUP 0.82 #QF 0.82)
&rst
ixpk= 345, nxpk= 0, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1135,1136,1137,
&end
#
# 67 THR QG2 68 MET HN 4.25 (#peak 758 #SUP 0.73 #QF 0.73)
&rst
ixpk= 758, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1063,1064,1065,
&end
#
# 67 THR QG2 69 LYS+ HN 4.40 (#peak 760 #SUP 0.85 #QF 0.85)
&rst
ixpk= 760, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1063,1064,1065,
&end
#
# 67 THR QG2 70 GLU- HB2 3.99 (#peak 767 #SUP 0.72 #QF 0.72)
&rst
ixpk= 767, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1063,1064,1065,
&end
#
# 67 THR QG2 70 GLU- HN 4.56 (#peak 761 #SUP 0.99 #QF 0.99)
&rst
ixpk= 761, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1063,1064,1065,
&end
#
# 68 MET HA 68 MET QE 3.66 (#peak 2339 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2339, nxpk= 0, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1082,1083,1084,
&end
#
# 68 MET HA 68 MET QG 3.67 (#peak 784)
&rst
ixpk= 784, nxpk= 0, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1078,1079,
&end
#
# 68 MET HA 71 VAL HB 4.04 (#peak 849 #SUP 0.95 #QF 0.95)
&rst
ixpk= 849, nxpk= 0, iat=1073,1129, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 68 MET HA 71 VAL HN 4.07 (#peak 389 #SUP 0.94 #QF 0.94)
&rst
ixpk= 389, nxpk= 0, iat=1073,1125, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 68 MET HA 71 VAL QG2 3.60 (#peak 857 #SUP 0.94 #QF 0.94)
&rst
ixpk= 857, nxpk= 0, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1135,1136,1137,
&end
#
# 68 MET HA 72 LEU QD1 5.02 (#peak 923 #SUP 0.99 #QF 0.25)
&rst
ixpk= 923, nxpk= 0, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1150,1151,1152,
&end
#
# 68 MET HG2 68 MET QE 3.07 (#peak 793 #SUP 0.92 #QF 0.92)
&rst
ixpk= 793, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1082,1083,1084,
&end
#
# 68 MET HG3 68 MET QE 3.07 (#peak 792 #SUP 0.94 #QF 0.94)
&rst
ixpk= 792, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1082,1083,1084,
&end
#
# 68 MET HN 68 MET HG2 4.75 (#peak 353 #SUP 1.00)
&rst
ixpk= 353, nxpk= 0, iat=1071,1078, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 68 MET HN 68 MET HG3 4.75 (#peak 352 #SUP 1.00)
&rst
ixpk= 352, nxpk= 0, iat=1071,1079, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 68 MET HN 68 MET QB 3.58 (#peak 351 #SUP 1.00)
&rst
ixpk= 351, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1075,1076,
&end
#
# 68 MET HN 68 MET QE 4.57 (#peak 354 #SUP 0.99 #QF 0.99)
&rst
ixpk= 354, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1082,1083,1084,
&end
#
# 68 MET HN 68 MET QG 4.17 (#peak 352)
&rst
ixpk= 352, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1078,1079,
&end
#
# 68 MET HN 69 LYS+ HN 3.83 (#peak 357 #SUP 0.84 #QF 0.84)
&rst
ixpk= 357, nxpk= 0, iat=1071,1088, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 68 MET QB 69 LYS+ HA 4.22 (#peak 804 #SUP 0.88 #QF 0.88)
&rst
ixpk= 804, nxpk= 0, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1075,1076,
&end
#
# 68 MET QB 69 LYS+ HN 3.69 (#peak 367 #SUP 0.95 #QF 0.95)
&rst
ixpk= 367, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1075,1076,
&end
#
# 68 MET QB 71 VAL QG2 5.50 (#peak 778 #SUP 0.90 #QF 0.58)
&rst
ixpk= 778, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1075,1076,
igr2=1135,1136,1137,
&end
#
# 68 MET QB 72 LEU QD2 5.38 (#peak 779 #SUP 0.22 #QF 0.22)
&rst
ixpk= 779, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1=1075,1076,
igr2=1154,1155,1156,
&end
#
# 68 MET QE 122 ALA HA 3.37 (#peak 791 #SUP 0.74 #QF 0.74)
&rst
ixpk= 791, nxpk= 0, iat= -1,1986, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1082,1083,1084,
&end
#
# 68 MET QE 122 ALA HN 4.83 (#peak 788 #SUP 0.86 #QF 0.86)
&rst
ixpk= 788, nxpk= 0, iat= -1,1984, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1082,1083,1084,
&end
#
# 68 MET QE 125 THR QG2 3.16 (#peak 794 #SUP 0.57 #QF 0.57)
&rst
ixpk= 794, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1082,1083,1084,
igr2=2028,2029,2030,
&end
#
# 68 MET QG 69 LYS+ HN 5.05 (#peak 365)
&rst
ixpk= 365, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1078,1079,
&end
#
# 69 LYS+ HA 69 LYS+ QD 4.14 (#peak 811 #SUP 0.98 #QF 0.98)
&rst
ixpk= 811, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1098,1099,
&end
#
# 69 LYS+ HA 69 LYS+ QE 5.11 (#peak 806 #SUP 0.92 #QF 0.92)
&rst
ixpk= 806, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1101,1102,
&end
#
# 69 LYS+ HA 69 LYS+ QG 3.70 (#peak 807 #SUP 0.99 #QF 0.99)
&rst
ixpk= 807, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1095,1096,
&end
#
# 69 LYS+ HA 72 LEU HN 4.42 (#peak 400 #SUP 0.83 #QF 0.83)
&rst
ixpk= 400, nxpk= 0, iat=1090,1141, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 69 LYS+ HA 72 LEU QB 3.87 (#peak 798)
&rst
ixpk= 798, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1145,1146,
&end
#
# 69 LYS+ HA 72 LEU QD1 3.95 (#peak 805 #SUP 0.96 #QF 0.96)
&rst
ixpk= 805, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1150,1151,1152,
&end
#
# 69 LYS+ HB2 70 GLU- HN 4.22 (#peak 382 #SUP 0.98 #QF 0.98)
&rst
ixpk= 382, nxpk= 0, iat=1092,1110, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 69 LYS+ HB3 70 GLU- HN 4.22 (#peak 383 #SUP 0.97 #QF 0.97)
&rst
ixpk= 383, nxpk= 0, iat=1093,1110, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 69 LYS+ HN 69 LYS+ HB2 3.43 (#peak 368 #SUP 0.99 #QF 0.97)
&rst
ixpk= 368, nxpk= 0, iat=1088,1092, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 69 LYS+ HN 69 LYS+ HB3 3.43 (#peak 369 #SUP 0.97 #QF 0.97)
&rst
ixpk= 369, nxpk= 0, iat=1088,1093, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 69 LYS+ HN 69 LYS+ QD 4.52 (#peak 810 #SUP 0.95 #QF 0.95)
&rst
ixpk= 810, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1098,1099,
&end
#
# 69 LYS+ HN 69 LYS+ QG 4.01 (#peak 370 #SUP 0.99 #QF 0.99)
&rst
ixpk= 370, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1095,1096,
&end
#
# 69 LYS+ HN 70 GLU- HB2 5.50 (#peak 366 #SUP 0.88 #QF 0.62)
&rst
ixpk= 366, nxpk= 0, iat=1088,1114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 LYS+ HN 70 GLU- HN 3.68 (#peak 374 #SUP 1.00)
&rst
ixpk= 374, nxpk= 0, iat=1088,1110, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 69 LYS+ HN 71 VAL HB 5.50 (#peak 365 #SUP 0.92 #QF 0.90)
&rst
ixpk= 365, nxpk= 0, iat=1088,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 LYS+ QB 69 LYS+ QE 4.63 (#peak 815)
&rst
ixpk= 815, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1092,1093,
igr2=1101,1102,
&end
#
# 69 LYS+ QG 69 LYS+ QD 2.58 (#peak 813 #SUP 0.99 #QF 0.99)
&rst
ixpk= 813, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
igr1=1095,1096,
igr2=1098,1099,
&end
#
# 69 LYS+ QG 69 LYS+ QE 2.96 (#peak 2314 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2314, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1=1095,1096,
igr2=1101,1102,
&end
#
# 69 LYS+ QG 72 LEU QD1 4.87 (#peak 933 #SUP 0.84 #QF 0.84)
&rst
ixpk= 933, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1095,1096,
igr2=1150,1151,1152,
&end
#
# 70 GLU- HA 70 GLU- HG2 4.23 (#peak 837 #SUP 0.88 #QF 0.88)
&rst
ixpk= 837, nxpk= 0, iat=1112,1117, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 70 GLU- HA 70 GLU- HG3 4.23 (#peak 820 #SUP 0.99 #QF 0.99)
&rst
ixpk= 820, nxpk= 0, iat=1112,1118, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 70 GLU- HA 70 GLU- QG 3.68 (#peak 837)
&rst
ixpk= 837, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1117,1118,
&end
#
# 70 GLU- HA 73 PHE HN 4.06 (#peak 412 #SUP 0.88 #QF 0.88)
&rst
ixpk= 412, nxpk= 0, iat=1112,1160, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 70 GLU- HA 73 PHE QB 3.88 (#peak 836 #SUP 0.82 #QF 0.82)
&rst
ixpk= 836, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1164,1165,
&end
#
# 70 GLU- HA 74 TYR QE 4.90 (#peak 835 #SUP 0.60 #QF 0.60)
&rst
ixpk= 835, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1190,1195,
&end
#
# 70 GLU- HB2 71 VAL HN 4.23 (#peak 395 #SUP 0.97 #QF 0.97)
&rst
ixpk= 395, nxpk= 0, iat=1114,1125, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 70 GLU- HB3 71 VAL HN 4.08 (#peak 393 #SUP 0.72 #QF 0.72)
&rst
ixpk= 393, nxpk= 0, iat=1115,1125, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 70 GLU- HB3 71 VAL QG2 4.32 (#peak 860 #SUP 0.85 #QF 0.85)
&rst
ixpk= 860, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1135,1136,1137,
&end
#
# 70 GLU- HB3 74 TYR QE 5.06 (#peak 830 #SUP 0.92 #QF 0.85)
&rst
ixpk= 830, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1190,1195,
&end
#
# 70 GLU- HN 70 GLU- HB2 3.80 (#peak 380 #SUP 1.00)
&rst
ixpk= 380, nxpk= 0, iat=1110,1114, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 70 GLU- HN 70 GLU- HB3 3.70 (#peak 378 #SUP 0.78 #QF 0.78)
&rst
ixpk= 378, nxpk= 0, iat=1110,1115, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 70 GLU- HN 70 GLU- HG2 4.19 (#peak 817 #SUP 0.99 #QF 0.99)
&rst
ixpk= 817, nxpk= 0, iat=1110,1117, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 70 GLU- HN 70 GLU- HG3 4.19 (#peak 381 #SUP 0.97 #QF 0.97)
&rst
ixpk= 381, nxpk= 0, iat=1110,1118, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 70 GLU- HN 70 GLU- QG 3.63 (#peak 381)
&rst
ixpk= 381, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1117,1118,
&end
#
# 70 GLU- HN 71 VAL HN 3.55 (#peak 375 #SUP 0.99 #QF 0.99)
&rst
ixpk= 375, nxpk= 0, iat=1110,1125, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 70 GLU- HN 71 VAL QG2 4.50 (#peak 385 #SUP 0.77 #QF 0.77)
&rst
ixpk= 385, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1135,1136,1137,
&end
#
# 70 GLU- QG 74 TYR QE 4.60 (#peak 818)
&rst
ixpk= 818, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1117,1118,
igr2=1190,1195,
&end
#
# 71 VAL HA 71 VAL QG1 3.22 (#peak 866 #SUP 1.00)
&rst
ixpk= 866, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1131,1132,1133,
&end
#
# 71 VAL HA 71 VAL QG2 3.15 (#peak 859 #SUP 0.99 #QF 0.99)
&rst
ixpk= 859, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1135,1136,1137,
&end
#
# 71 VAL HA 74 TYR HB2 4.76 (#peak 842 #SUP 0.89 #QF 0.89)
&rst
ixpk= 842, nxpk= 0, iat=1127,1184, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 71 VAL HA 74 TYR QD 4.47 (#peak 984 #SUP 0.97 #QF 0.97)
&rst
ixpk= 984, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1188,1197,
&end
#
# 71 VAL HA 75 LEU HN 4.83 (#peak 433 #SUP 0.91 #QF 0.91)
&rst
ixpk= 433, nxpk= 0, iat=1127,1201, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 71 VAL HA 121 MET QE 5.08 (#peak 1886 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1886, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1978,1979,1980,
&end
#
# 71 VAL HB 72 LEU HG 4.72 (#peak 939 #SUP 0.78 #QF 0.54)
&rst
ixpk= 939, nxpk= 0, iat=1129,1148, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 71 VAL HB 72 LEU HN 3.61 (#peak 402 #SUP 0.99 #QF 0.99)
&rst
ixpk= 402, nxpk= 0, iat=1129,1141, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 71 VAL HB 121 MET QE 3.23 (#peak 1888 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1888, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1978,1979,1980,
&end
#
# 71 VAL HN 71 VAL HB 3.44 (#peak 394 #SUP 0.99 #QF 0.99)
&rst
ixpk= 394, nxpk= 0, iat=1125,1129, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 71 VAL HN 71 VAL QG1 3.94 (#peak 868 #SUP 1.00)
&rst
ixpk= 868, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1131,1132,1133,
&end
#
# 71 VAL HN 71 VAL QG2 3.05 (#peak 853 #SUP 0.99 #QF 0.99)
&rst
ixpk= 853, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1135,1136,1137,
&end
#
# 71 VAL HN 72 LEU HN 3.61 (#peak 387 #SUP 0.99 #QF 0.99)
&rst
ixpk= 387, nxpk= 0, iat=1125,1141, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 71 VAL HN 121 MET QE 5.39 (#peak 1882 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1882, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1978,1979,1980,
&end
#
# 71 VAL QG1 72 LEU HA 3.81 (#peak 867 #SUP 0.99 #QF 0.99)
&rst
ixpk= 867, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1131,1132,1133,
&end
#
# 71 VAL QG1 72 LEU HN 3.69 (#peak 406 #SUP 1.00)
&rst
ixpk= 406, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1131,1132,1133,
&end
#
# 71 VAL QG1 75 LEU HB2 4.11 (#peak 902 #SUP 0.74 #QF 0.74)
&rst
ixpk= 902, nxpk= 0, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1131,1132,1133,
&end
#
# 71 VAL QG1 75 LEU HB3 4.11 (#peak 873 #SUP 0.89 #QF 0.89)
&rst
ixpk= 873, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1131,1132,1133,
&end
#
# 71 VAL QG1 75 LEU HN 4.40 (#peak 870 #SUP 0.98 #QF 0.98)
&rst
ixpk= 870, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1131,1132,1133,
&end
#
# 71 VAL QG1 121 MET QE 2.40 (#peak 1890 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1890, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=1131,1132,1133,
igr2=1978,1979,1980,
&end
#
# 71 VAL QG2 72 LEU HN 4.64 (#peak 852 #SUP 0.99 #QF 0.33)
&rst
ixpk= 852, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1135,1136,1137,
&end
#
# 72 LEU HA 72 LEU HG 4.18 (#peak 880 #SUP 0.97 #QF 0.81)
&rst
ixpk= 880, nxpk= 0, iat=1143,1148, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 72 LEU HA 72 LEU QD1 5.24 (#peak 923 #SUP 0.99 #QF 0.25)
&rst
ixpk= 923, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1150,1151,1152,
&end
#
# 72 LEU HA 72 LEU QD2 3.08 (#peak 912 #SUP 0.97 #QF 0.97)
&rst
ixpk= 912, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1154,1155,1156,
&end
#
# 72 LEU HA 75 LEU HB2 4.48 (#peak 897 #SUP 0.98 #QF 0.98)
&rst
ixpk= 897, nxpk= 0, iat=1143,1205, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 72 LEU HA 75 LEU HB3 4.48 (#peak 888 #SUP 1.00)
&rst
ixpk= 888, nxpk= 0, iat=1143,1206, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 72 LEU HA 75 LEU HN 4.43 (#peak 431 #SUP 0.98 #QF 0.98)
&rst
ixpk= 431, nxpk= 0, iat=1143,1201, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 72 LEU HA 75 LEU QB 3.84 (#peak 897)
&rst
ixpk= 897, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1205,1206,
&end
#
# 72 LEU HA 75 LEU QD1 5.29 (#peak 1002 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1002, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=1210,1211,1212,
&end
#
# 72 LEU HA 75 LEU QD2 4.55 (#peak 1026 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1026, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1214,1215,1216,
&end
#
# 72 LEU HA 121 MET QE 3.19 (#peak 1885 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1885, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1978,1979,1980,
&end
#
# 72 LEU HB2 72 LEU QD1 3.70 (#peak 930 #SUP 1.00)
&rst
ixpk= 930, nxpk= 0, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1150,1151,1152,
&end
#
# 72 LEU HB2 72 LEU QD2 3.53 (#peak 916 #SUP 0.99 #QF 0.99)
&rst
ixpk= 916, nxpk= 0, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1154,1155,1156,
&end
#
# 72 LEU HB2 73 PHE HN 4.70 (#peak 415 #SUP 0.89 #QF 0.89)
&rst
ixpk= 415, nxpk= 0, iat=1145,1160, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 72 LEU HB3 72 LEU QD1 3.70 (#peak 934 #SUP 0.96 #QF 0.96)
&rst
ixpk= 934, nxpk= 0, iat=1146, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1150,1151,1152,
&end
#
# 72 LEU HB3 72 LEU QD2 3.53 (#peak 918 #SUP 0.99 #QF 0.99)
&rst
ixpk= 918, nxpk= 0, iat=1146, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1154,1155,1156,
&end
#
# 72 LEU HB3 73 PHE HN 4.70 (#peak 416 #SUP 1.00)
&rst
ixpk= 416, nxpk= 0, iat=1146,1160, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 72 LEU HN 72 LEU HB2 4.03 (#peak 403 #SUP 0.97 #QF 0.97)
&rst
ixpk= 403, nxpk= 0, iat=1141,1145, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 72 LEU HN 72 LEU HB3 4.03 (#peak 405 #SUP 1.00)
&rst
ixpk= 405, nxpk= 0, iat=1141,1146, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 72 LEU HN 72 LEU HG 3.64 (#peak 404 #SUP 1.00 #QF 0.97)
&rst
ixpk= 404, nxpk= 0, iat=1141,1148, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 72 LEU HN 72 LEU QB 3.42 (#peak 403)
&rst
ixpk= 403, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1145,1146,
&end
#
# 72 LEU HN 72 LEU QD1 4.06 (#peak 408 #SUP 0.94 #QF 0.94)
&rst
ixpk= 408, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1150,1151,1152,
&end
#
# 72 LEU HN 72 LEU QD2 3.98 (#peak 407 #SUP 0.97 #QF 0.97)
&rst
ixpk= 407, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1154,1155,1156,
&end
#
# 72 LEU HN 73 PHE HN 3.79 (#peak 409 #SUP 0.94 #QF 0.94)
&rst
ixpk= 409, nxpk= 0, iat=1141,1160, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 72 LEU HN 75 LEU QD2 5.27 (#peak 1023 #SUP 0.99 #QF 0.23)
&rst
ixpk= 1023, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1214,1215,1216,
&end
#
# 72 LEU HN 121 MET QE 3.66 (#peak 1881 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1881, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1978,1979,1980,
&end
#
# 72 LEU QB 72 LEU QD1 3.18 (#peak 930)
&rst
ixpk= 930, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1145,1146,
igr2=1150,1151,1152,
&end
#
# 72 LEU QB 72 LEU QD2 3.05 (#peak 916)
&rst
ixpk= 916, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1145,1146,
igr2=1154,1155,1156,
&end
#
# 72 LEU QB 73 PHE HN 3.99 (#peak 415)
&rst
ixpk= 415, nxpk= 0, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1145,1146,
&end
#
# 72 LEU QD1 73 PHE HN 4.85 (#peak 417 #SUP 0.52 #QF 0.52)
&rst
ixpk= 417, nxpk= 0, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1150,1151,1152,
&end
#
# 72 LEU QD1 118 TYR QE 3.91 (#peak 1855 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1855, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1150,1151,1152,
igr2=1925,1930,
&end
#
# 72 LEU QD1 121 MET QG 4.51 (#peak 926)
&rst
ixpk= 926, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1150,1151,1152,
igr2=1974,1975,
&end
#
# 72 LEU QD2 75 LEU HN 5.50 (#peak 907 #SUP 0.88 #QF 0.88)
&rst
ixpk= 907, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1154,1155,1156,
&end
#
# 72 LEU QD2 75 LEU QB 4.13 (#peak 892)
&rst
ixpk= 892, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1154,1155,1156,
igr2=1205,1206,
&end
#
# 72 LEU QD2 75 LEU QD2 3.32 (#peak 919 #SUP 0.96 #QF 0.96)
&rst
ixpk= 919, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1154,1155,1156,
igr2=1214,1215,1216,
&end
#
# 72 LEU QD2 104 PHE HZ 5.50 (#peak 910 #SUP 1.00 #QF 0.98)
&rst
ixpk= 910, nxpk= 0, iat= -1,1693, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1154,1155,1156,
&end
#
# 72 LEU QD2 118 TYR HA 4.80 (#peak 913 #SUP 0.57 #QF 0.57)
&rst
ixpk= 913, nxpk= 0, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1154,1155,1156,
&end
#
# 72 LEU QD2 118 TYR QD 4.61 (#peak 1848 #SUP 0.97 #QF 0.25)
&rst
ixpk= 1848, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1154,1155,1156,
igr2=1923,1932,
&end
#
# 72 LEU QD2 118 TYR QE 4.01 (#peak 1854 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1854, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1154,1155,1156,
igr2=1925,1930,
&end
#
# 72 LEU QD2 121 MET HG2 4.42 (#peak 1904 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1904, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1154,1155,1156,
&end
#
# 72 LEU QD2 121 MET HG3 4.42 (#peak 914 #SUP 0.98 #QF 0.98)
&rst
ixpk= 914, nxpk= 0, iat= -1,1975, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1154,1155,1156,
&end
#
# 72 LEU QD2 121 MET QE 2.78 (#peak 1891 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1891, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1154,1155,1156,
igr2=1978,1979,1980,
&end
#
# 72 LEU QD2 121 MET QG 3.64 (#peak 914)
&rst
ixpk= 914, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1154,1155,1156,
igr2=1974,1975,
&end
#
# 73 PHE HA 73 PHE QD 4.41 (#peak 955 #SUP 1.00)
&rst
ixpk= 955, nxpk= 0, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1168,1176,
&end
#
# 73 PHE HN 73 PHE QB 3.39 (#peak 413 #SUP 1.00)
&rst
ixpk= 413, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1164,1165,
&end
#
# 73 PHE HN 74 TYR HN 3.73 (#peak 418 #SUP 0.98 #QF 0.98)
&rst
ixpk= 418, nxpk= 0, iat=1160,1180, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 73 PHE QB 74 TYR HN 3.60 (#peak 425 #SUP 0.98 #QF 0.98)
&rst
ixpk= 425, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1164,1165,
&end
#
# 73 PHE QD 74 TYR HA 4.51 (#peak 954 #SUP 0.99 #QF 0.90)
&rst
ixpk= 954, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1168,1176,
&end
#
# 73 PHE QD 74 TYR HN 4.24 (#peak 422 #SUP 0.99 #QF 0.99)
&rst
ixpk= 422, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1168,1176,
&end
#
# 74 TYR HA 74 TYR QD 3.69 (#peak 983 #SUP 0.93 #QF 0.93)
&rst
ixpk= 983, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1188,1197,
&end
#
# 74 TYR HA 74 TYR QE 5.27 (#peak 2240 #SUP 0.72 #QF 0.35)
&rst
ixpk= 2240, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1190,1195,
&end
#
# 74 TYR HA 77 GLN HB2 4.58 (#peak 1047 #SUP 0.92 #QF 0.89)
&rst
ixpk= 1047, nxpk= 0, iat=1182,1231, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 74 TYR HA 77 GLN HB3 4.58 (#peak 1048 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1048, nxpk= 0, iat=1182,1232, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 74 TYR HA 77 GLN HG2 4.80 (#peak 968 #SUP 0.99 #QF 0.99)
&rst
ixpk= 968, nxpk= 0, iat=1182,1234, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 74 TYR HA 77 GLN HG3 4.80 (#peak 969 #SUP 0.99 #QF 0.99)
&rst
ixpk= 969, nxpk= 0, iat=1182,1235, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 74 TYR HA 77 GLN HN 4.25 (#peak 452 #SUP 0.96 #QF 0.96)
&rst
ixpk= 452, nxpk= 0, iat=1182,1227, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 74 TYR HA 77 GLN QB 3.84 (#peak 1048)
&rst
ixpk= 1048, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1231,1232,
&end
#
# 74 TYR HA 77 GLN QG 4.17 (#peak 968)
&rst
ixpk= 968, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1234,1235,
&end
#
# 74 TYR HB2 75 LEU HN 4.32 (#peak 435 #SUP 0.99 #QF 0.99)
&rst
ixpk= 435, nxpk= 0, iat=1184,1201, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 74 TYR HB3 75 LEU HN 4.46 (#peak 434 #SUP 1.00)
&rst
ixpk= 434, nxpk= 0, iat=1185,1201, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 74 TYR HN 74 TYR HB2 3.70 (#peak 427 #SUP 0.96 #QF 0.96)
&rst
ixpk= 427, nxpk= 0, iat=1180,1184, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 74 TYR HN 74 TYR HB3 3.91 (#peak 426 #SUP 0.95 #QF 0.95)
&rst
ixpk= 426, nxpk= 0, iat=1180,1185, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 74 TYR HN 74 TYR QD 3.91 (#peak 420 #SUP 0.99 #QF 0.99)
&rst
ixpk= 420, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1188,1197,
&end
#
# 74 TYR HN 74 TYR QE 5.13 (#peak 421 #SUP 0.61 #QF 0.37)
&rst
ixpk= 421, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1190,1195,
&end
#
# 74 TYR HN 75 LEU HN 3.63 (#peak 419 #SUP 0.98 #QF 0.98)
&rst
ixpk= 419, nxpk= 0, iat=1180,1201, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 74 TYR QD 77 GLN QG 4.48 (#peak 1054)
&rst
ixpk= 1054, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1188,1197,
igr2=1234,1235,
&end
#
# 75 LEU HA 75 LEU QD1 3.17 (#peak 1001 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1001, nxpk= 0, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1210,1211,1212,
&end
#
# 75 LEU HA 75 LEU QD2 4.08 (#peak 1017 #SUP 1.00)
&rst
ixpk= 1017, nxpk= 0, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1214,1215,1216,
&end
#
# 75 LEU HA 78 TYR HB2 4.43 (#peak 1014 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1014, nxpk= 0, iat=1203,1248, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 75 LEU HA 78 TYR HB3 4.43 (#peak 1013 #SUP 1.00)
&rst
ixpk= 1013, nxpk= 0, iat=1203,1249, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 75 LEU HA 78 TYR HN 3.95 (#peak 465 #SUP 0.95 #QF 0.95)
&rst
ixpk= 465, nxpk= 0, iat=1203,1244, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 75 LEU HA 78 TYR QD 4.85 (#peak 1012 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1012, nxpk= 0, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1252,1261,
&end
#
# 75 LEU HA 79 ILE HN 4.75 (#peak 476 #SUP 0.97 #QF 0.97)
&rst
ixpk= 476, nxpk= 0, iat=1203,1265, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 75 LEU HB2 75 LEU QD1 3.77 (#peak 901 #SUP 1.00)
&rst
ixpk= 901, nxpk= 0, iat=1205, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1210,1211,1212,
&end
#
# 75 LEU HB2 75 LEU QD2 3.66 (#peak 899 #SUP 1.00)
&rst
ixpk= 899, nxpk= 0, iat=1205, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1214,1215,1216,
&end
#
# 75 LEU HB2 76 GLY HN 4.26 (#peak 449 #SUP 0.99 #QF 0.99)
&rst
ixpk= 449, nxpk= 0, iat=1205,1220, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 75 LEU HB3 75 LEU QD1 3.77 (#peak 1004 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1004, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1210,1211,1212,
&end
#
# 75 LEU HB3 75 LEU QD2 3.66 (#peak 1028 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1028, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1214,1215,1216,
&end
#
# 75 LEU HB3 76 GLY HN 4.26 (#peak 891 #SUP 0.94 #QF 0.94)
&rst
ixpk= 891, nxpk= 0, iat=1206,1220, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 75 LEU HG 76 GLY HA2 5.15 (#peak 939 #SUP 0.78 #QF 0.54)
&rst
ixpk= 939, nxpk= 0, iat=1208,1222, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 75 LEU HG 79 ILE QD1 3.60 (#peak 1113 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1113, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1278,1279,1280,
&end
#
# 75 LEU HN 75 LEU HB2 3.59 (#peak 437 #SUP 0.98 #QF 0.98)
&rst
ixpk= 437, nxpk= 0, iat=1201,1205, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 75 LEU HN 75 LEU HB3 3.59 (#peak 436 #SUP 0.92 #QF 0.92)
&rst
ixpk= 436, nxpk= 0, iat=1201,1206, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 75 LEU HN 75 LEU HG 4.65 (#peak 936 #SUP 1.00)
&rst
ixpk= 936, nxpk= 0, iat=1201,1208, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 75 LEU HN 75 LEU QD1 4.17 (#peak 995 #SUP 1.00)
&rst
ixpk= 995, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1210,1211,1212,
&end
#
# 75 LEU HN 75 LEU QD2 4.39 (#peak 438 #SUP 1.00)
&rst
ixpk= 438, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1214,1215,1216,
&end
#
# 75 LEU HN 76 GLY HN 3.70 (#peak 429 #SUP 0.98 #QF 0.98)
&rst
ixpk= 429, nxpk= 0, iat=1201,1220, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 75 LEU HN 79 ILE QD1 5.50 (#peak 440 #SUP 0.99 #QF 0.98)
&rst
ixpk= 440, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1278,1279,1280,
&end
#
# 75 LEU QB 75 LEU QD1 3.30 (#peak 901)
&rst
ixpk= 901, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=1205,1206,
igr2=1210,1211,1212,
&end
#
# 75 LEU QB 76 GLY HN 3.70 (#peak 891)
&rst
ixpk= 891, nxpk= 0, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1205,1206,
&end
#
# 75 LEU QB 79 ILE QD1 4.22 (#peak 1111)
&rst
ixpk= 1111, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1205,1206,
igr2=1278,1279,1280,
&end
#
# 75 LEU QD1 76 GLY HN 4.77 (#peak 997 #SUP 1.00)
&rst
ixpk= 997, nxpk= 0, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1210,1211,1212,
&end
#
# 75 LEU QD1 78 TYR HN 4.81 (#peak 996 #SUP 0.99 #QF 0.99)
&rst
ixpk= 996, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1210,1211,1212,
&end
#
# 75 LEU QD1 78 TYR QB 3.89 (#peak 1003)
&rst
ixpk= 1003, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1210,1211,1212,
igr2=1248,1249,
&end
#
# 75 LEU QD1 78 TYR QD 4.00 (#peak 1000 #SUP 0.99 #QF 0.97)
&rst
ixpk= 1000, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1210,1211,1212,
igr2=1252,1261,
&end
#
# 75 LEU QD1 79 ILE HG12 4.08 (#peak 1005 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1005, nxpk= 0, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1210,1211,1212,
&end
#
# 75 LEU QD1 79 ILE HN 4.41 (#peak 998 #SUP 0.94 #QF 0.94)
&rst
ixpk= 998, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1210,1211,1212,
&end
#
# 75 LEU QD1 100 LEU QD1 3.01 (#peak 1007 #SUP 0.85 #QF 0.46)
&rst
ixpk= 1007, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1210,1211,1212,
igr2=1633,1634,1635,
&end
#
# 75 LEU QD1 104 PHE HZ 4.25 (#peak 999 #SUP 0.86 #QF 0.86)
&rst
ixpk= 999, nxpk= 0, iat= -1,1693, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1210,1211,1212,
&end
#
# 75 LEU QD1 104 PHE QE 4.44 (#peak 1599 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1599, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1210,1211,1212,
igr2=1691,1695,
&end
#
# 75 LEU QD2 76 GLY HN 5.47 (#peak 1023 #SUP 0.99 #QF 0.23)
&rst
ixpk= 1023, nxpk= 0, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=1214,1215,1216,
&end
#
# 75 LEU QD2 79 ILE QD1 3.76 (#peak 1031 #SUP 0.96 #QF 0.91)
&rst
ixpk= 1031, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1214,1215,1216,
igr2=1278,1279,1280,
&end
#
# 75 LEU QD2 104 PHE HZ 3.19 (#peak 1024 #SUP 0.95 #QF 0.37)
&rst
ixpk= 1024, nxpk= 0, iat= -1,1693, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1=1214,1215,1216,
&end
#
# 75 LEU QD2 104 PHE QE 3.85 (#peak 1025 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1025, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1214,1215,1216,
igr2=1691,1695,
&end
#
# 75 LEU QD2 117 ILE QG2 4.10 (#peak 1032 #SUP 0.63 #QF 0.63)
&rst
ixpk= 1032, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1214,1215,1216,
igr2=1902,1903,1904,
&end
#
# 75 LEU QD2 121 MET QE 2.90 (#peak 1889 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1889, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1214,1215,1216,
igr2=1978,1979,1980,
&end
#
# 76 GLY HA2 79 ILE HN 4.62 (#peak 481 #SUP 0.94 #QF 0.94)
&rst
ixpk= 481, nxpk= 0, iat=1222,1265, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 76 GLY HA2 79 ILE QD1 3.95 (#peak 1110 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1110, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1278,1279,1280,
&end
#
# 76 GLY HA2 79 ILE QG2 4.68 (#peak 1130 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1130, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1271,1272,1273,
&end
#
# 76 GLY HA3 79 ILE HB 4.92 (#peak 1101 #SUP 0.52 #QF 0.52)
&rst
ixpk= 1101, nxpk= 0, iat=1223,1269, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 76 GLY HA3 79 ILE HN 4.96 (#peak 480 #SUP 0.86 #QF 0.86)
&rst
ixpk= 480, nxpk= 0, iat=1223,1265, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 76 GLY HA3 79 ILE QD1 4.52 (#peak 1109 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1109, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1278,1279,1280,
&end
#
# 76 GLY HN 77 GLN HN 3.76 (#peak 451 #SUP 0.93 #QF 0.93)
&rst
ixpk= 451, nxpk= 0, iat=1220,1227, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 77 GLN HA 80 MET HN 4.49 (#peak 490 #SUP 0.95 #QF 0.95)
&rst
ixpk= 490, nxpk= 0, iat=1229,1284, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 77 GLN HA 80 MET QB 3.95 (#peak 1152 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1152, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1288,1289,
&end
#
# 77 GLN HA 80 MET QE 3.63 (#peak 1172 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1172, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1295,1296,1297,
&end
#
# 77 GLN HA 81 THR HN 4.64 (#peak 1037 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1037, nxpk= 0, iat=1229,1301, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 77 GLN HB2 78 TYR HN 4.30 (#peak 468 #SUP 0.98 #QF 0.98)
&rst
ixpk= 468, nxpk= 0, iat=1231,1244, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 77 GLN HB3 78 TYR HN 4.30 (#peak 467 #SUP 0.97 #QF 0.97)
&rst
ixpk= 467, nxpk= 0, iat=1232,1244, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 77 GLN HN 77 GLN HB2 3.78 (#peak 456 #SUP 0.99 #QF 0.99)
&rst
ixpk= 456, nxpk= 0, iat=1227,1231, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 77 GLN HN 77 GLN HB3 3.78 (#peak 457 #SUP 0.99 #QF 0.99)
&rst
ixpk= 457, nxpk= 0, iat=1227,1232, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 77 GLN HN 77 GLN HG2 3.99 (#peak 1052 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1052, nxpk= 0, iat=1227,1234, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 77 GLN HN 77 GLN HG3 3.99 (#peak 459 #SUP 0.98 #QF 0.98)
&rst
ixpk= 459, nxpk= 0, iat=1227,1235, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 77 GLN HN 77 GLN QG 3.46 (#peak 459)
&rst
ixpk= 459, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1234,1235,
&end
#
# 77 GLN HN 78 TYR HN 3.66 (#peak 460 #SUP 0.96 #QF 0.96)
&rst
ixpk= 460, nxpk= 0, iat=1227,1244, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 77 GLN HN 80 MET QE 4.87 (#peak 1166 #SUP 0.87 #QF 0.22)
&rst
ixpk= 1166, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1295,1296,1297,
&end
#
# 77 GLN QB 78 TYR HN 3.63 (#peak 467)
&rst
ixpk= 467, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1231,1232,
&end
#
# 78 TYR HA 78 TYR QD 4.03 (#peak 1074 #SUP 1.00)
&rst
ixpk= 1074, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1252,1261,
&end
#
# 78 TYR HA 81 THR HB 4.29 (#peak 1187 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1187, nxpk= 0, iat=1246,1305, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 78 TYR HA 81 THR HN 4.58 (#peak 502 #SUP 0.87 #QF 0.87)
&rst
ixpk= 502, nxpk= 0, iat=1246,1301, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 78 TYR HA 81 THR QG2 4.04 (#peak 1075 #SUP 1.00 #QF 0.40)
&rst
ixpk= 1075, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1307,1308,1309,
&end
#
# 78 TYR HB2 79 ILE HN 4.35 (#peak 1061 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1061, nxpk= 0, iat=1248,1265, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 78 TYR HB3 79 ILE HN 4.35 (#peak 477 #SUP 1.00)
&rst
ixpk= 477, nxpk= 0, iat=1249,1265, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 78 TYR HN 78 TYR HB2 3.66 (#peak 466 #SUP 0.98 #QF 0.98)
&rst
ixpk= 466, nxpk= 0, iat=1244,1248, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 78 TYR HN 78 TYR HB3 3.66 (#peak 464 #SUP 0.99 #QF 0.99)
&rst
ixpk= 464, nxpk= 0, iat=1244,1249, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 78 TYR HN 78 TYR QD 4.36 (#peak 462 #SUP 0.90 #QF 0.90)
&rst
ixpk= 462, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1252,1261,
&end
#
# 78 TYR HN 79 ILE HG13 4.54 (#peak 471 #SUP 0.69 #QF 0.69)
&rst
ixpk= 471, nxpk= 0, iat=1244,1276, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 78 TYR HN 79 ILE HN 3.79 (#peak 461 #SUP 0.99 #QF 0.99)
&rst
ixpk= 461, nxpk= 0, iat=1244,1265, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 78 TYR HN 81 THR QG2 4.63 (#peak 469 #SUP 0.97 #QF 0.94)
&rst
ixpk= 469, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1307,1308,1309,
&end
#
# 78 TYR QB 79 ILE HN 3.81 (#peak 477)
&rst
ixpk= 477, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1248,1249,
&end
#
# 78 TYR QD 79 ILE HA 4.22 (#peak 1092 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1092, nxpk= 0, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1252,1261,
&end
#
# 78 TYR QD 79 ILE HB 5.50 (#peak 1082 #SUP 0.91 #QF 0.32)
&rst
ixpk= 1082, nxpk= 0, iat= -1,1269, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1252,1261,
&end
#
# 78 TYR QD 79 ILE HG12 4.36 (#peak 2262 #SUP 0.92 #QF 0.89)
&rst
ixpk= 2262, nxpk= 0, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1252,1261,
&end
#
# 78 TYR QD 79 ILE HG13 4.17 (#peak 1087 #SUP 0.98 #QF 0.89)
&rst
ixpk= 1087, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1252,1261,
&end
#
# 78 TYR QD 79 ILE HN 4.21 (#peak 475 #SUP 0.99 #QF 0.99)
&rst
ixpk= 475, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1252,1261,
&end
#
# 78 TYR QD 80 MET HN 5.50 (#peak 487 #SUP 0.98 #QF 0.91)
&rst
ixpk= 487, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1252,1261,
&end
#
# 78 TYR QD 81 THR QG2 4.40 (#peak 1083 #SUP 0.96 #QF 0.77)
&rst
ixpk= 1083, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1252,1261,
igr2=1307,1308,1309,
&end
#
# 78 TYR QD 82 LYS+ QG 4.99 (#peak 1085)
&rst
ixpk= 1085, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1252,1261,
igr2=1322,1323,
&end
#
# 78 TYR QD 84 LEU QD1 4.01 (#peak 1086 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1086, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1252,1261,
igr2=1370,1371,1372,
&end
#
# 78 TYR QD 84 LEU QD2 5.44 (#peak 1258 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1258, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1252,1261,
igr2=1374,1375,1376,
&end
#
# 78 TYR QD 100 LEU QD1 4.55 (#peak 1087 #SUP 0.98 #QF 0.89)
&rst
ixpk= 1087, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1252,1261,
igr2=1633,1634,1635,
&end
#
# 78 TYR QE 82 LYS+ QD 3.97 (#peak 1236)
&rst
ixpk= 1236, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1254,1259,
igr2=1325,1326,
&end
#
# 78 TYR QE 82 LYS+ QE 3.89 (#peak 1219 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1219, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1254,1259,
igr2=1328,1329,
&end
#
# 78 TYR QE 84 LEU QD1 3.53 (#peak 2239 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2239, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1254,1259,
igr2=1370,1371,1372,
&end
#
# 78 TYR QE 99 LEU QD2 4.52 (#peak 2271 #SUP 0.82 #QF 0.82)
&rst
ixpk= 2271, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1254,1259,
igr2=1618,1619,1620,
&end
#
# 78 TYR QE 100 LEU QB 4.16 (#peak 1515 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1515, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1254,1259,
igr2=1628,1629,
&end
#
# 79 ILE HA 79 ILE HG12 4.18 (#peak 1093 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1093, nxpk= 0, iat=1267,1275, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 79 ILE HA 79 ILE HG13 3.50 (#peak 1096 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1096, nxpk= 0, iat=1267,1276, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 ILE HA 79 ILE QD1 4.07 (#peak 1108 #SUP 1.00)
&rst
ixpk= 1108, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1278,1279,1280,
&end
#
# 79 ILE HA 79 ILE QG2 3.36 (#peak 1128 #SUP 1.00)
&rst
ixpk= 1128, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1271,1272,1273,
&end
#
# 79 ILE HA 82 LYS+ HN 4.71 (#peak 510 #SUP 0.75 #QF 0.75)
&rst
ixpk= 510, nxpk= 0, iat=1267,1315, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 79 ILE HA 82 LYS+ QB 4.32 (#peak 1094)
&rst
ixpk= 1094, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1319,1320,
&end
#
# 79 ILE HA 84 LEU HG 4.51 (#peak 1282 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1282, nxpk= 0, iat=1267,1368, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 79 ILE HA 84 LEU HN 4.75 (#peak 1091 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1091, nxpk= 0, iat=1267,1361, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 79 ILE HA 84 LEU QB 3.89 (#peak 1095)
&rst
ixpk= 1095, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1365,1366,
&end
#
# 79 ILE HA 84 LEU QD1 3.55 (#peak 1288 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1288, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1370,1371,1372,
&end
#
# 79 ILE HA 84 LEU QD2 4.49 (#peak 1261 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1261, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1374,1375,1376,
&end
#
# 79 ILE HA 93 VAL QQG 4.61 (#peak 1451)
&rst
ixpk= 1451, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 79 ILE HA 100 LEU QD2 4.49 (#peak 1524 #SUP 0.58 #QF 0.58)
&rst
ixpk= 1524, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1637,1638,1639,
&end
#
# 79 ILE HB 79 ILE QD1 3.39 (#peak 1114 #SUP 1.00)
&rst
ixpk= 1114, nxpk= 0, iat=1269, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1278,1279,1280,
&end
#
# 79 ILE HB 80 MET HN 3.76 (#peak 494 #SUP 0.99 #QF 0.99)
&rst
ixpk= 494, nxpk= 0, iat=1269,1284, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 79 ILE HB 93 VAL QQG 5.17 (#peak 2337)
&rst
ixpk= 2337, nxpk= 0, iat=1269, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 79 ILE HG12 93 VAL QG1 5.09 (#peak 2002 #SUP 0.96 #QF 0.85)
&rst
ixpk= 2002, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1526,1527,1528,
&end
#
# 79 ILE HG12 93 VAL QG2 5.09 (#peak 1454 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1454, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1530,1531,1532,
&end
#
# 79 ILE HG12 93 VAL QQG 3.98 (#peak 1454)
&rst
ixpk= 1454, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 79 ILE HG13 80 MET HN 4.73 (#peak 496 #SUP 0.95 #QF 0.93)
&rst
ixpk= 496, nxpk= 0, iat=1276,1284, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 79 ILE HN 79 ILE HB 3.71 (#peak 483 #SUP 1.00)
&rst
ixpk= 483, nxpk= 0, iat=1265,1269, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 79 ILE HN 79 ILE HG12 3.87 (#peak 482 #SUP 1.00)
&rst
ixpk= 482, nxpk= 0, iat=1265,1275, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 79 ILE HN 79 ILE HG13 3.75 (#peak 484 #SUP 1.00)
&rst
ixpk= 484, nxpk= 0, iat=1265,1276, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 79 ILE HN 79 ILE QD1 3.67 (#peak 1105 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1105, nxpk= 0, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1278,1279,1280,
&end
#
# 79 ILE HN 79 ILE QG2 3.87 (#peak 1121 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1121, nxpk= 0, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1271,1272,1273,
&end
#
# 79 ILE HN 80 MET HN 3.70 (#peak 486 #SUP 0.99 #QF 0.99)
&rst
ixpk= 486, nxpk= 0, iat=1265,1284, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 79 ILE QD1 80 MET HN 4.97 (#peak 1119 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1119, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1278,1279,1280,
&end
#
# 79 ILE QD1 93 VAL QQG 3.43 (#peak 1457)
&rst
ixpk= 1457, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1278,1279,1280,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 79 ILE QD1 104 PHE HZ 4.71 (#peak 1605 #SUP 0.92 #QF 0.75)
&rst
ixpk= 1605, nxpk= 0, iat= -1,1693, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1278,1279,1280,
&end
#
# 79 ILE QD1 104 PHE QE 3.53 (#peak 1107 #SUP 0.76 #QF 0.54)
&rst
ixpk= 1107, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1278,1279,1280,
igr2=1691,1695,
&end
#
# 79 ILE QD1 109 PHE HZ 3.78 (#peak 1107 #SUP 0.76 #QF 0.54)
&rst
ixpk= 1107, nxpk= 0, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1278,1279,1280,
&end
#
# 79 ILE QD1 111 VAL QG2 4.93 (#peak 1743 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1743, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1=1278,1279,1280,
igr2=1790,1791,1792,
&end
#
# 79 ILE QG2 79 ILE HG12 3.71 (#peak 1131 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1131, nxpk= 0, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1271,1272,1273,
&end
#
# 79 ILE QG2 79 ILE HG13 4.11 (#peak 2264 #SUP 1.00)
&rst
ixpk= 2264, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1271,1272,1273,
&end
#
# 79 ILE QG2 79 ILE QD1 2.81 (#peak 1134 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1134, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1271,1272,1273,
igr2=1278,1279,1280,
&end
#
# 79 ILE QG2 80 MET HA 4.48 (#peak 1127 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1127, nxpk= 0, iat= -1,1286, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1271,1272,1273,
&end
#
# 79 ILE QG2 80 MET HN 3.96 (#peak 1120 #SUP 1.00)
&rst
ixpk= 1120, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1271,1272,1273,
&end
#
# 79 ILE QG2 84 LEU HA 5.03 (#peak 1126 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1126, nxpk= 0, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1271,1272,1273,
&end
#
# 79 ILE QG2 84 LEU HB2 3.72 (#peak 1133 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1133, nxpk= 0, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1271,1272,1273,
&end
#
# 79 ILE QG2 84 LEU HB3 3.72 (#peak 1129 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1129, nxpk= 0, iat= -1,1366, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1271,1272,1273,
&end
#
# 79 ILE QG2 84 LEU HN 3.84 (#peak 1122 #SUP 1.00)
&rst
ixpk= 1122, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1271,1272,1273,
&end
#
# 79 ILE QG2 84 LEU QB 3.15 (#peak 1133)
&rst
ixpk= 1133, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1271,1272,1273,
igr2=1365,1366,
&end
#
# 79 ILE QG2 84 LEU QD1 3.67 (#peak 1294 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1294, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1271,1272,1273,
igr2=1370,1371,1372,
&end
#
# 79 ILE QG2 84 LEU QD2 4.52 (#peak 1267 #SUP 0.84 #QF 0.77)
&rst
ixpk= 1267, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1271,1272,1273,
igr2=1374,1375,1376,
&end
#
# 79 ILE QG2 85 TYR HA 5.01 (#peak 1136 #SUP 1.00)
&rst
ixpk= 1136, nxpk= 0, iat= -1,1382, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1271,1272,1273,
&end
#
# 79 ILE QG2 85 TYR HN 3.89 (#peak 1125 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1125, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1271,1272,1273,
&end
#
# 79 ILE QG2 85 TYR QB 4.60 (#peak 1308)
&rst
ixpk= 1308, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1271,1272,1273,
igr2=1384,1385,
&end
#
# 79 ILE QG2 85 TYR QD 3.74 (#peak 1124 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1124, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1271,1272,1273,
igr2=1388,1397,
&end
#
# 79 ILE QG2 85 TYR QE 5.31 (#peak 1329 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1329, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1=1271,1272,1273,
igr2=1390,1395,
&end
#
# 79 ILE QG2 93 VAL QQG 3.18 (#peak 1135)
&rst
ixpk= 1135, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1271,1272,1273,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 79 ILE QG2 109 PHE HZ 5.32 (#peak 1123 #SUP 0.99 #QF 0.75)
&rst
ixpk= 1123, nxpk= 0, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1271,1272,1273,
&end
#
# 79 ILE QG2 109 PHE QE 5.50 (#peak 2160 #SUP 0.96 #QF 0.82)
&rst
ixpk= 2160, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1271,1272,1273,
igr2=1759,1763,
&end
#
# 80 MET HA 80 MET HG2 3.91 (#peak 1156 #SUP 1.00)
&rst
ixpk= 1156, nxpk= 0, iat=1286,1291, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 80 MET HA 80 MET HG3 3.91 (#peak 1163 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1163, nxpk= 0, iat=1286,1292, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 80 MET HA 80 MET QE 4.44 (#peak 1171 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1171, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1295,1296,1297,
&end
#
# 80 MET HA 83 ARG+ HA 4.62 (#peak 1244 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1244, nxpk= 0, iat=1286,1339, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 80 MET HA 83 ARG+ HN 4.34 (#peak 518 #SUP 0.74 #QF 0.27)
&rst
ixpk= 518, nxpk= 0, iat=1286,1337, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 80 MET HA 85 TYR QD 4.30 (#peak 1145 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1145, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1388,1397,
&end
#
# 80 MET HA 85 TYR QE 3.48 (#peak 1144 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1144, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1390,1395,
&end
#
# 80 MET HG2 80 MET QE 3.79 (#peak 1174 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1174, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1295,1296,1297,
&end
#
# 80 MET HG2 85 TYR QE 4.60 (#peak 1324 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1324, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1390,1395,
&end
#
# 80 MET HG3 80 MET QE 3.79 (#peak 1175 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1175, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1295,1296,1297,
&end
#
# 80 MET HG3 85 TYR QE 4.60 (#peak 1162 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1162, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1390,1395,
&end
#
# 80 MET HN 80 MET HG2 4.61 (#peak 1158 #SUP 1.00)
&rst
ixpk= 1158, nxpk= 0, iat=1284,1291, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 80 MET HN 80 MET HG3 4.61 (#peak 1161 #SUP 1.00)
&rst
ixpk= 1161, nxpk= 0, iat=1284,1292, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 80 MET HN 80 MET QB 3.33 (#peak 493 #SUP 0.98 #QF 0.98)
&rst
ixpk= 493, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2=1288,1289,
&end
#
# 80 MET HN 80 MET QE 5.08 (#peak 1166 #SUP 0.87 #QF 0.22)
&rst
ixpk= 1166, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1295,1296,1297,
&end
#
# 80 MET HN 81 THR HN 3.20 (#peak 569 #SUP 0.96 #QF 0.24)
&rst
ixpk= 569, nxpk= 0, iat=1284,1301, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 80 MET HN 81 THR QG2 4.65 (#peak 495 #SUP 0.87 #QF 0.87)
&rst
ixpk= 495, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1307,1308,1309,
&end
#
# 80 MET HN 85 TYR QE 5.50 (#peak 487 #SUP 0.98 #QF 0.91)
&rst
ixpk= 487, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1390,1395,
&end
#
# 80 MET QB 80 MET QE 3.17 (#peak 1176 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1176, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1288,1289,
igr2=1295,1296,1297,
&end
#
# 80 MET QB 81 THR HN 3.76 (#peak 504 #SUP 0.97 #QF 0.97)
&rst
ixpk= 504, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1288,1289,
&end
#
# 80 MET QB 81 THR QG2 4.34 (#peak 1183 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1183, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1288,1289,
igr2=1307,1308,1309,
&end
#
# 80 MET QB 85 TYR QE 4.52 (#peak 1326 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1326, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1288,1289,
igr2=1390,1395,
&end
#
# 80 MET QG 80 MET QE 3.26 (#peak 1175)
&rst
ixpk= 1175, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1291,1292,
igr2=1295,1296,1297,
&end
#
# 80 MET QG 85 TYR QE 3.90 (#peak 1162)
&rst
ixpk= 1162, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1291,1292,
igr2=1390,1395,
&end
#
# 81 THR HA 81 THR QG2 3.24 (#peak 1192 #SUP 1.00)
&rst
ixpk= 1192, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1307,1308,1309,
&end
#
# 81 THR HA 83 ARG+ HN 4.79 (#peak 518 #SUP 0.74 #QF 0.27)
&rst
ixpk= 518, nxpk= 0, iat=1303,1337, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 81 THR HB 82 LYS+ HN 4.02 (#peak 1185 #SUP 1.00)
&rst
ixpk= 1185, nxpk= 0, iat=1305,1315, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 81 THR HN 81 THR HB 3.52 (#peak 500 #SUP 0.98 #QF 0.98)
&rst
ixpk= 500, nxpk= 0, iat=1301,1305, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 81 THR HN 81 THR QG2 3.43 (#peak 1177 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1177, nxpk= 0, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1307,1308,1309,
&end
#
# 81 THR HN 82 LYS+ HN 3.54 (#peak 508 #SUP 0.98 #QF 0.98)
&rst
ixpk= 508, nxpk= 0, iat=1301,1315, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 81 THR QG2 82 LYS+ HN 3.32 (#peak 513 #SUP 0.89 #QF 0.89)
&rst
ixpk= 513, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1=1307,1308,1309,
&end
#
# 81 THR QG2 82 LYS+ QE 4.91 (#peak 1182 #SUP 0.70 #QF 0.70)
&rst
ixpk= 1182, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1307,1308,1309,
igr2=1328,1329,
&end
#
# 81 THR QG2 83 ARG+ HN 4.70 (#peak 522 #SUP 1.00 #QF 0.78)
&rst
ixpk= 522, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1307,1308,1309,
&end
#
# 82 LYS+ HA 82 LYS+ HD2 4.06 (#peak 1226 #SUP 1.00)
&rst
ixpk= 1226, nxpk= 0, iat=1317,1325, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 82 LYS+ HA 82 LYS+ HD3 4.06 (#peak 1228 #SUP 1.00)
&rst
ixpk= 1228, nxpk= 0, iat=1317,1326, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 82 LYS+ HA 82 LYS+ HG2 3.91 (#peak 1199 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1199, nxpk= 0, iat=1317,1322, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 82 LYS+ HA 82 LYS+ HG3 3.91 (#peak 1215 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1215, nxpk= 0, iat=1317,1323, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 82 LYS+ HA 82 LYS+ QD 3.55 (#peak 1226)
&rst
ixpk= 1226, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1325,1326,
&end
#
# 82 LYS+ HA 82 LYS+ QE 4.19 (#peak 1220 #SUP 1.00)
&rst
ixpk= 1220, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1328,1329,
&end
#
# 82 LYS+ HA 82 LYS+ QG 3.35 (#peak 1199)
&rst
ixpk= 1199, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1322,1323,
&end
#
# 82 LYS+ HA 84 LEU QD2 4.36 (#peak 1200 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1200, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1374,1375,1376,
&end
#
# 82 LYS+ HB2 82 LYS+ QE 3.49 (#peak 1225 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1225, nxpk= 0, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1328,1329,
&end
#
# 82 LYS+ HB2 84 LEU QD2 3.47 (#peak 1265 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1265, nxpk= 0, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1374,1375,1376,
&end
#
# 82 LYS+ HB3 82 LYS+ QE 3.49 (#peak 1224 #SUP 0.99 #QF 0.78)
&rst
ixpk= 1224, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1328,1329,
&end
#
# 82 LYS+ HB3 84 LEU QD2 3.47 (#peak 1266 #SUP 0.84 #QF 0.55)
&rst
ixpk= 1266, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1374,1375,1376,
&end
#
# 82 LYS+ HG2 82 LYS+ QE 3.49 (#peak 1222 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1222, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1328,1329,
&end
#
# 82 LYS+ HG3 82 LYS+ QE 3.49 (#peak 594 #SUP 0.21 #QF 0.21)
&rst
ixpk= 594, nxpk= 0, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1328,1329,
&end
#
# 82 LYS+ HN 82 LYS+ HB2 3.92 (#peak 512 #SUP 1.00)
&rst
ixpk= 512, nxpk= 0, iat=1315,1319, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 82 LYS+ HN 82 LYS+ HB3 3.92 (#peak 1204 #SUP 1.00)
&rst
ixpk= 1204, nxpk= 0, iat=1315,1320, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 82 LYS+ HN 82 LYS+ HD2 4.94 (#peak 1237 #SUP 1.00)
&rst
ixpk= 1237, nxpk= 0, iat=1315,1325, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 82 LYS+ HN 82 LYS+ HD3 4.94 (#peak 1238 #SUP 1.00)
&rst
ixpk= 1238, nxpk= 0, iat=1315,1326, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 82 LYS+ HN 82 LYS+ HG2 3.90 (#peak 515 #SUP 0.93 #QF 0.93)
&rst
ixpk= 515, nxpk= 0, iat=1315,1322, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 82 LYS+ HN 82 LYS+ HG3 3.90 (#peak 1213 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1213, nxpk= 0, iat=1315,1323, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 82 LYS+ HN 82 LYS+ QD 4.28 (#peak 1237)
&rst
ixpk= 1237, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1325,1326,
&end
#
# 82 LYS+ HN 82 LYS+ QE 4.92 (#peak 1218 #SUP 1.00)
&rst
ixpk= 1218, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1328,1329,
&end
#
# 82 LYS+ HN 83 ARG+ HA 4.93 (#peak 509 #SUP 0.84 #QF 0.84)
&rst
ixpk= 509, nxpk= 0, iat=1315,1339, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 82 LYS+ HN 83 ARG+ HN 3.39 (#peak 517 #SUP 0.69 #QF 0.69)
&rst
ixpk= 517, nxpk= 0, iat=1315,1337, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 82 LYS+ HN 84 LEU QD1 4.99 (#peak 1285 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1285, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1370,1371,1372,
&end
#
# 82 LYS+ QB 82 LYS+ QE 3.03 (#peak 1224)
&rst
ixpk= 1224, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1319,1320,
igr2=1328,1329,
&end
#
# 82 LYS+ QB 84 LEU QD1 3.61 (#peak 1292)
&rst
ixpk= 1292, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1319,1320,
igr2=1370,1371,1372,
&end
#
# 82 LYS+ QB 84 LEU QD2 2.88 (#peak 1266)
&rst
ixpk= 1266, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1319,1320,
igr2=1374,1375,1376,
&end
#
# 82 LYS+ QE 84 LEU QD1 4.60 (#peak 1289 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1289, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1328,1329,
igr2=1370,1371,1372,
&end
#
# 82 LYS+ QE 84 LEU QD2 3.73 (#peak 1221 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1221, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1328,1329,
igr2=1374,1375,1376,
&end
#
# 82 LYS+ QG 82 LYS+ QE 3.02 (#peak 594)
&rst
ixpk= 594, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1=1322,1323,
igr2=1328,1329,
&end
#
# 83 ARG+ HA 83 ARG+ QG 3.74 (#peak 1249 #SUP 1.00)
&rst
ixpk= 1249, nxpk= 0, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1344,1345,
&end
#
# 83 ARG+ HA 85 TYR HN 3.91 (#peak 535 #SUP 0.97 #QF 0.97)
&rst
ixpk= 535, nxpk= 0, iat=1339,1380, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 83 ARG+ HA 85 TYR QD 4.57 (#peak 1314 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1314, nxpk= 0, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1388,1397,
&end
#
# 83 ARG+ HA 85 TYR QE 4.12 (#peak 1322 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1322, nxpk= 0, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1390,1395,
&end
#
# 83 ARG+ HN 83 ARG+ QB 3.78 (#peak 520 #SUP 0.94 #QF 0.94)
&rst
ixpk= 520, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1341,1342,
&end
#
# 83 ARG+ HN 83 ARG+ QD 5.34 (#peak 1256)
&rst
ixpk= 1256, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1347,1348,
&end
#
# 83 ARG+ HN 83 ARG+ QG 3.72 (#peak 521 #SUP 0.96 #QF 0.96)
&rst
ixpk= 521, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1344,1345,
&end
#
# 83 ARG+ HN 84 LEU HN 3.67 (#peak 516 #SUP 0.97 #QF 0.97)
&rst
ixpk= 516, nxpk= 0, iat=1337,1361, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 83 ARG+ HN 85 TYR HN 4.85 (#peak 544 #SUP 0.96 #QF 0.96)
&rst
ixpk= 544, nxpk= 0, iat=1337,1380, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 83 ARG+ QB 83 ARG+ QD 3.33 (#peak 1255)
&rst
ixpk= 1255, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1341,1342,
igr2=1347,1348,
&end
#
# 83 ARG+ QB 84 LEU QD2 5.03 (#peak 1264 #SUP 0.80 #QF 0.37)
&rst
ixpk= 1264, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1=1341,1342,
igr2=1374,1375,1376,
&end
#
# 83 ARG+ QB 85 TYR QE 4.78 (#peak 1328 #SUP 0.58 #QF 0.58)
&rst
ixpk= 1328, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1341,1342,
igr2=1390,1395,
&end
#
# 83 ARG+ QD 85 TYR QE 5.09 (#peak 1323)
&rst
ixpk= 1323, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=1347,1348,
igr2=1390,1395,
&end
#
# 83 ARG+ QG 85 TYR HN 5.50 (#peak 540 #SUP 0.99 #QF 0.99)
&rst
ixpk= 540, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1344,1345,
&end
#
# 84 LEU HA 84 LEU QD1 4.18 (#peak 1287 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1287, nxpk= 0, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1370,1371,1372,
&end
#
# 84 LEU HA 84 LEU QD2 2.90 (#peak 1259 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1259, nxpk= 0, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1374,1375,1376,
&end
#
# 84 LEU HB2 84 LEU QD1 3.43 (#peak 1293 #SUP 0.96 #QF 0.80)
&rst
ixpk= 1293, nxpk= 0, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1370,1371,1372,
&end
#
# 84 LEU HB2 84 LEU QD2 3.71 (#peak 1274 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1274, nxpk= 0, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1374,1375,1376,
&end
#
# 84 LEU HB2 85 TYR HN 4.46 (#peak 539 #SUP 0.90 #QF 0.76)
&rst
ixpk= 539, nxpk= 0, iat=1365,1380, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 84 LEU HB3 84 LEU QD1 3.43 (#peak 1290 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1290, nxpk= 0, iat=1366, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1370,1371,1372,
&end
#
# 84 LEU HB3 84 LEU QD2 3.71 (#peak 1263 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1263, nxpk= 0, iat=1366, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1374,1375,1376,
&end
#
# 84 LEU HB3 85 TYR HN 4.46 (#peak 538 #SUP 0.63 #QF 0.63)
&rst
ixpk= 538, nxpk= 0, iat=1366,1380, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 84 LEU HN 84 LEU HG 4.11 (#peak 1283 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1283, nxpk= 0, iat=1361,1368, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 84 LEU HN 84 LEU QB 3.38 (#peak 528)
&rst
ixpk= 528, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1365,1366,
&end
#
# 84 LEU HN 84 LEU QD1 3.79 (#peak 1284 #SUP 1.00)
&rst
ixpk= 1284, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1370,1371,1372,
&end
#
# 84 LEU HN 84 LEU QD2 3.72 (#peak 1257 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1257, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1374,1375,1376,
&end
#
# 84 LEU HN 85 TYR HN 3.44 (#peak 543 #SUP 0.99 #QF 0.99)
&rst
ixpk= 543, nxpk= 0, iat=1361,1380, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 84 LEU QB 84 LEU QD1 2.85 (#peak 1293)
&rst
ixpk= 1293, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=1365,1366,
igr2=1370,1371,1372,
&end
#
# 84 LEU QB 84 LEU QD2 3.11 (#peak 1263)
&rst
ixpk= 1263, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1365,1366,
igr2=1374,1375,1376,
&end
#
# 84 LEU QB 93 VAL QQG 3.37 (#peak 1455)
&rst
ixpk= 1455, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1365,1366,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 84 LEU QB 94 TYR HN 4.57 (#peak 616)
&rst
ixpk= 616, nxpk= 0, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1365,1366,
&end
#
# 84 LEU QD1 100 LEU HN 5.12 (#peak 638 #SUP 0.98 #QF 0.24)
&rst
ixpk= 638, nxpk= 0, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1370,1371,1372,
&end
#
# 84 LEU QD1 100 LEU QB 4.03 (#peak 1291 #SUP 0.72 #QF 0.72)
&rst
ixpk= 1291, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1370,1371,1372,
igr2=1628,1629,
&end
#
# 84 LEU QD2 85 TYR HN 4.77 (#peak 541 #SUP 0.99 #QF 0.99)
&rst
ixpk= 541, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1374,1375,1376,
&end
#
# 84 LEU QD2 93 VAL QQG 4.84 (#peak 1267)
&rst
ixpk= 1267, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1=1374,1375,1376,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 84 LEU QD2 94 TYR HN 5.20 (#peak 619 #SUP 0.78 #QF 0.78)
&rst
ixpk= 619, nxpk= 0, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1374,1375,1376,
&end
#
# 84 LEU QD2 100 LEU QB 5.27 (#peak 1264 #SUP 0.80 #QF 0.37)
&rst
ixpk= 1264, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=1374,1375,1376,
igr2=1628,1629,
&end
#
# 85 TYR HA 86 ASP- HN 3.47 (#peak 548 #SUP 0.97 #QF 0.97)
&rst
ixpk= 548, nxpk= 0, iat=1382,1401, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 85 TYR HA 93 VAL HA 3.92 (#peak 1466 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1466, nxpk= 0, iat=1382,1522, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 85 TYR HA 93 VAL QG1 4.69 (#peak 1999 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1999, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1526,1527,1528,
&end
#
# 85 TYR HA 93 VAL QG2 4.69 (#peak 1449 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1449, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1530,1531,1532,
&end
#
# 85 TYR HA 93 VAL QQG 3.83 (#peak 1999)
&rst
ixpk= 1999, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 85 TYR HA 94 TYR HN 3.94 (#peak 611 #SUP 0.89 #QF 0.89)
&rst
ixpk= 611, nxpk= 0, iat=1382,1536, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 85 TYR HB2 86 ASP- HN 4.27 (#peak 556 #SUP 1.00)
&rst
ixpk= 556, nxpk= 0, iat=1384,1401, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 85 TYR HB3 86 ASP- HN 4.27 (#peak 554 #SUP 0.97 #QF 0.97)
&rst
ixpk= 554, nxpk= 0, iat=1385,1401, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 85 TYR HN 85 TYR HB2 4.04 (#peak 537 #SUP 0.94 #QF 0.94)
&rst
ixpk= 537, nxpk= 0, iat=1380,1384, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 85 TYR HN 85 TYR HB3 4.04 (#peak 536 #SUP 1.00)
&rst
ixpk= 536, nxpk= 0, iat=1380,1385, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 85 TYR HN 85 TYR QD 3.37 (#peak 531 #SUP 0.97 #QF 0.97)
&rst
ixpk= 531, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1388,1397,
&end
#
# 85 TYR HN 85 TYR QE 4.49 (#peak 532 #SUP 0.85 #QF 0.85)
&rst
ixpk= 532, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1390,1395,
&end
#
# 85 TYR HN 86 ASP- HN 4.76 (#peak 545 #SUP 0.86 #QF 0.86)
&rst
ixpk= 545, nxpk= 0, iat=1380,1401, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 85 TYR HN 93 VAL HA 4.81 (#peak 547 #SUP 0.92 #QF 0.92)
&rst
ixpk= 547, nxpk= 0, iat=1380,1522, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 85 TYR HN 93 VAL QQG 4.66 (#peak 546)
&rst
ixpk= 546, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 85 TYR QB 86 ASP- HN 3.73 (#peak 554)
&rst
ixpk= 554, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1384,1385,
&end
#
# 85 TYR QB 93 VAL QQG 3.87 (#peak 2003)
&rst
ixpk= 2003, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1384,1385,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 85 TYR QD 86 ASP- HN 4.47 (#peak 552 #SUP 1.00)
&rst
ixpk= 552, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1388,1397,
&end
#
# 85 TYR QD 87 GLU- HA 4.36 (#peak 1347 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1347, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1388,1397,
&end
#
# 85 TYR QE 87 GLU- HA 4.60 (#peak 1320 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1320, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1390,1395,
&end
#
# 86 ASP- HA 87 GLU- HA 4.63 (#peak 1348 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1348, nxpk= 0, iat=1403,1415, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 86 ASP- HA 87 GLU- HB3 4.84 (#peak 1333 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1333, nxpk= 0, iat=1403,1418, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 86 ASP- HA 87 GLU- HN 3.04 (#peak 561 #SUP 0.85 #QF 0.85)
&rst
ixpk= 561, nxpk= 0, iat=1403,1413, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 86 ASP- HA 87 GLU- QG 4.64 (#peak 1362 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1362, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1420,1421,
&end
#
# 86 ASP- HA 94 TYR QE 4.32 (#peak 1484 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1484, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1546,1551,
&end
#
# 86 ASP- HB2 89 GLN HN 4.05 (#peak 582 #SUP 0.91 #QF 0.64)
&rst
ixpk= 582, nxpk= 0, iat=1405,1450, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 86 ASP- HB2 92 ILE HB 4.50 (#peak 1337 #SUP 1.00)
&rst
ixpk= 1337, nxpk= 0, iat=1405,1505, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 ASP- HB2 92 ILE HN 5.50 (#peak 596 #SUP 0.75 #QF 0.68)
&rst
ixpk= 596, nxpk= 0, iat=1405,1501, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 ASP- HB2 92 ILE QG2 4.72 (#peak 1338 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1338, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1507,1508,1509,
&end
#
# 86 ASP- HB2 94 TYR QE 4.50 (#peak 1486 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1486, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1546,1551,
&end
#
# 86 ASP- HB3 89 GLN HN 4.05 (#peak 581 #SUP 0.34 #QF 0.34)
&rst
ixpk= 581, nxpk= 0, iat=1406,1450, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 86 ASP- HB3 92 ILE HB 4.50 (#peak 1437 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1437, nxpk= 0, iat=1406,1505, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 ASP- HB3 92 ILE HN 5.50 (#peak 595 #SUP 0.88 #QF 0.88)
&rst
ixpk= 595, nxpk= 0, iat=1406,1501, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 ASP- HB3 92 ILE QG2 4.72 (#peak 1424 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1424, nxpk= 0, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1507,1508,1509,
&end
#
# 86 ASP- HB3 94 TYR QE 4.50 (#peak 1485 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1485, nxpk= 0, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1546,1551,
&end
#
# 86 ASP- HN 86 ASP- HB2 3.68 (#peak 555 #SUP 0.88 #QF 0.88)
&rst
ixpk= 555, nxpk= 0, iat=1401,1405, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 86 ASP- HN 86 ASP- HB3 3.68 (#peak 551 #SUP 0.92 #QF 0.92)
&rst
ixpk= 551, nxpk= 0, iat=1401,1406, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 86 ASP- HN 92 ILE HB 4.37 (#peak 557 #SUP 0.99 #QF 0.99)
&rst
ixpk= 557, nxpk= 0, iat=1401,1505, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 86 ASP- HN 92 ILE HN 4.89 (#peak 590 #SUP 0.96 #QF 0.96)
&rst
ixpk= 590, nxpk= 0, iat=1401,1501, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 86 ASP- HN 92 ILE QD1 5.50 (#peak 1415 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1415, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1514,1515,1516,
&end
#
# 86 ASP- HN 92 ILE QG2 4.57 (#peak 559 #SUP 0.99 #QF 0.99)
&rst
ixpk= 559, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1507,1508,1509,
&end
#
# 86 ASP- HN 93 VAL HA 4.24 (#peak 550 #SUP 0.95 #QF 0.95)
&rst
ixpk= 550, nxpk= 0, iat=1401,1522, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 86 ASP- HN 93 VAL QQG 5.44 (#peak 558)
&rst
ixpk= 558, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 86 ASP- HN 94 TYR HN 4.77 (#peak 608 #SUP 0.94 #QF 0.94)
&rst
ixpk= 608, nxpk= 0, iat=1401,1536, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 86 ASP- HN 94 TYR QE 4.29 (#peak 1483 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1483, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1546,1551,
&end
#
# 86 ASP- QB 92 ILE HB 3.88 (#peak 1437)
&rst
ixpk= 1437, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1405,1406,
&end
#
# 86 ASP- QB 92 ILE QD1 4.65 (#peak 1407)
&rst
ixpk= 1407, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1405,1406,
igr2=1514,1515,1516,
&end
#
# 86 ASP- QB 92 ILE QG2 4.04 (#peak 1424)
&rst
ixpk= 1424, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1405,1406,
igr2=1507,1508,1509,
&end
#
# 86 ASP- QB 94 TYR QE 3.75 (#peak 1486)
&rst
ixpk= 1486, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1405,1406,
igr2=1546,1551,
&end
#
# 87 GLU- HA 87 GLU- QG 3.74 (#peak 1361 #SUP 1.00)
&rst
ixpk= 1361, nxpk= 0, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1420,1421,
&end
#
# 87 GLU- HB2 88 LYS+ HN 4.00 (#peak 1354 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1354, nxpk= 0, iat=1417,1428, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 87 GLU- HB3 88 LYS+ HN 4.18 (#peak 1355 #SUP 1.00)
&rst
ixpk= 1355, nxpk= 0, iat=1418,1428, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 87 GLU- HN 87 GLU- HB2 3.64 (#peak 566 #SUP 0.98 #QF 0.98)
&rst
ixpk= 566, nxpk= 0, iat=1413,1417, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 87 GLU- HN 87 GLU- HB3 3.19 (#peak 565 #SUP 0.97 #QF 0.97)
&rst
ixpk= 565, nxpk= 0, iat=1413,1418, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 87 GLU- HN 87 GLU- QG 3.60 (#peak 564 #SUP 0.97 #QF 0.27)
&rst
ixpk= 564, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1420,1421,
&end
#
# 87 GLU- HN 88 LYS+ HN 3.44 (#peak 568 #SUP 0.95 #QF 0.95)
&rst
ixpk= 568, nxpk= 0, iat=1413,1428, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 87 GLU- QG 88 LYS+ HG2 4.41 (#peak 1384 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1384, nxpk= 0, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1420,1421,
&end
#
# 87 GLU- QG 88 LYS+ HG3 4.41 (#peak 1383 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1383, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1420,1421,
&end
#
# 87 GLU- QG 88 LYS+ HN 4.03 (#peak 572 #SUP 0.96 #QF 0.34)
&rst
ixpk= 572, nxpk= 0, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1420,1421,
&end
#
# 87 GLU- QG 88 LYS+ QD 4.11 (#peak 1363 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1363, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1420,1421,
igr2=1438,1439,
&end
#
# 88 LYS+ HA 88 LYS+ HG2 4.05 (#peak 1378 #SUP 1.00)
&rst
ixpk= 1378, nxpk= 0, iat=1430,1435, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 88 LYS+ HA 88 LYS+ HG3 4.05 (#peak 1377 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1377, nxpk= 0, iat=1430,1436, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 88 LYS+ HA 88 LYS+ QD 4.28 (#peak 1385 #SUP 1.00)
&rst
ixpk= 1385, nxpk= 0, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1438,1439,
&end
#
# 88 LYS+ HA 88 LYS+ QG 3.53 (#peak 1378)
&rst
ixpk= 1378, nxpk= 0, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1435,1436,
&end
#
# 88 LYS+ HG2 88 LYS+ QE 4.16 (#peak 1382 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1382, nxpk= 0, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1441,1442,
&end
#
# 88 LYS+ HG2 89 GLN HN 4.64 (#peak 588 #SUP 1.00)
&rst
ixpk= 588, nxpk= 0, iat=1435,1450, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 88 LYS+ HG3 88 LYS+ QE 4.16 (#peak 1381 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1381, nxpk= 0, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1441,1442,
&end
#
# 88 LYS+ HG3 89 GLN HN 4.64 (#peak 587 #SUP 0.93 #QF 0.93)
&rst
ixpk= 587, nxpk= 0, iat=1436,1450, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 88 LYS+ HN 88 LYS+ HG2 3.92 (#peak 1380 #SUP 1.00)
&rst
ixpk= 1380, nxpk= 0, iat=1428,1435, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 88 LYS+ HN 88 LYS+ HG3 3.92 (#peak 576 #SUP 0.99 #QF 0.99)
&rst
ixpk= 576, nxpk= 0, iat=1428,1436, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 88 LYS+ HN 88 LYS+ QB 3.12 (#peak 574 #SUP 0.99 #QF 0.99)
&rst
ixpk= 574, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2=1432,1433,
&end
#
# 88 LYS+ HN 88 LYS+ QD 4.17 (#peak 1387 #SUP 1.00)
&rst
ixpk= 1387, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1438,1439,
&end
#
# 88 LYS+ HN 89 GLN HN 3.08 (#peak 579 #SUP 0.93 #QF 0.93)
&rst
ixpk= 579, nxpk= 0, iat=1428,1450, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 88 LYS+ QB 88 LYS+ QD 3.23 (#peak 1389 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1389, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1432,1433,
igr2=1438,1439,
&end
#
# 88 LYS+ QB 88 LYS+ QE 4.77 (#peak 1373 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1373, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1432,1433,
igr2=1441,1442,
&end
#
# 88 LYS+ QB 89 GLN HN 3.47 (#peak 584 #SUP 0.96 #QF 0.96)
&rst
ixpk= 584, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1432,1433,
&end
#
# 88 LYS+ QG 88 LYS+ QE 3.59 (#peak 1381)
&rst
ixpk= 1381, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1435,1436,
igr2=1441,1442,
&end
#
# 89 GLN HB2 92 ILE QD1 3.58 (#peak 1403 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1403, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1514,1515,1516,
&end
#
# 89 GLN HB3 92 ILE QD1 3.58 (#peak 1404 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1404, nxpk= 0, iat=1455, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1514,1515,1516,
&end
#
# 89 GLN HG2 92 ILE QD1 4.14 (#peak 1405 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1405, nxpk= 0, iat=1457, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1514,1515,1516,
&end
#
# 89 GLN HG3 92 ILE QD1 4.14 (#peak 1406 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1406, nxpk= 0, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1514,1515,1516,
&end
#
# 89 GLN HN 89 GLN HB2 4.05 (#peak 586 #SUP 0.98 #QF 0.98)
&rst
ixpk= 586, nxpk= 0, iat=1450,1454, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 89 GLN HN 89 GLN HB3 4.05 (#peak 585 #SUP 0.95 #QF 0.95)
&rst
ixpk= 585, nxpk= 0, iat=1450,1455, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 89 GLN HN 89 GLN HG2 4.39 (#peak 583 #SUP 0.78 #QF 0.78)
&rst
ixpk= 583, nxpk= 0, iat=1450,1457, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 89 GLN HN 89 GLN HG3 4.39 (#peak 1398 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1398, nxpk= 0, iat=1450,1458, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 89 GLN HN 89 GLN QB 3.48 (#peak 585)
&rst
ixpk= 585, nxpk= 0, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1454,1455,
&end
#
# 89 GLN QB 91 HIS HE1 4.01 (#peak 2342)
&rst
ixpk= 2342, nxpk= 0, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1454,1455,
&end
#
# 89 GLN QB 92 ILE HA 5.34 (#peak 1394)
&rst
ixpk= 1394, nxpk= 0, iat= -1,1503, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1454,1455,
&end
#
# 89 GLN QB 92 ILE QG1 4.34 (#peak 1396)
&rst
ixpk= 1396, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1454,1455,
igr2=1511,1512,
&end
#
# 89 GLN QG 90 GLN HN 5.34 (#peak 366)
&rst
ixpk= 366, nxpk= 0, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1457,1458,
&end
#
# 89 GLN QG 91 HIS HE1 4.24 (#peak 2344)
&rst
ixpk= 2344, nxpk= 0, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1457,1458,
&end
#
# 89 GLN QG 92 ILE HN 5.34 (#peak 596)
&rst
ixpk= 596, nxpk= 0, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1457,1458,
&end
#
# 89 GLN QG 92 ILE QG2 5.34 (#peak 1425)
&rst
ixpk= 1425, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1457,1458,
igr2=1507,1508,1509,
&end
#
# 90 GLN HN 90 GLN HG2 4.15 (#peak 362 #SUP 0.86 #QF 0.86)
&rst
ixpk= 362, nxpk= 0, iat=1467,1474, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 90 GLN HN 90 GLN HG3 4.15 (#peak 363 #SUP 0.85 #QF 0.85)
&rst
ixpk= 363, nxpk= 0, iat=1467,1475, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 90 GLN HN 90 GLN QB 3.70 (#peak 368 #SUP 0.99 #QF 0.97)
&rst
ixpk= 368, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1471,1472,
&end
#
# 90 GLN HN 90 GLN QG 3.59 (#peak 363)
&rst
ixpk= 363, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1474,1475,
&end
#
# 90 GLN HN 91 HIS HN 4.43 (#peak 359 #SUP 0.93 #QF 0.40)
&rst
ixpk= 359, nxpk= 0, iat=1467,1484, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 90 GLN HN 91 HIS QB 4.71 (#peak 364 #SUP 0.42 #QF 0.42)
&rst
ixpk= 364, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1488,1489,
&end
#
# 91 HIS HA 111 VAL QG2 3.63 (#peak 1734 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1734, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1790,1791,1792,
&end
#
# 91 HIS HE1 92 ILE QD1 3.74 (#peak 2341 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2341, nxpk= 0, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1514,1515,1516,
&end
#
# 91 HIS HE1 92 ILE QG1 4.45 (#peak 2340)
&rst
ixpk= 2340, nxpk= 0, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1511,1512,
&end
#
# 91 HIS HN 92 ILE HN 3.69 (#peak 592 #SUP 0.75 #QF 0.75)
&rst
ixpk= 592, nxpk= 0, iat=1484,1501, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 91 HIS QB 111 VAL HN 4.61 (#peak 742 #SUP 0.58 #QF 0.58)
&rst
ixpk= 742, nxpk= 0, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1488,1489,
&end
#
# 91 HIS QB 111 VAL QG2 4.41 (#peak 1739 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1739, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1488,1489,
igr2=1790,1791,1792,
&end
#
# 92 ILE HA 92 ILE QD1 3.91 (#peak 1410 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1410, nxpk= 0, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1514,1515,1516,
&end
#
# 92 ILE HA 92 ILE QG1 3.66 (#peak 1442)
&rst
ixpk= 1442, nxpk= 0, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1511,1512,
&end
#
# 92 ILE HA 92 ILE QG2 3.34 (#peak 1422 #SUP 1.00)
&rst
ixpk= 1422, nxpk= 0, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1507,1508,1509,
&end
#
# 92 ILE HA 93 VAL HN 3.24 (#peak 602 #SUP 0.88 #QF 0.88)
&rst
ixpk= 602, nxpk= 0, iat=1503,1520, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 92 ILE HA 110 SER HA 4.08 (#peak 2119 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2119, nxpk= 0, iat=1503,1771, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 92 ILE HB 92 ILE QD1 3.38 (#peak 1402 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1402, nxpk= 0, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1514,1515,1516,
&end
#
# 92 ILE HN 92 ILE HB 3.56 (#peak 597 #SUP 0.98 #QF 0.98)
&rst
ixpk= 597, nxpk= 0, iat=1501,1505, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 92 ILE HN 92 ILE HG12 4.40 (#peak 599 #SUP 0.98 #QF 0.98)
&rst
ixpk= 599, nxpk= 0, iat=1501,1511, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 92 ILE HN 92 ILE HG13 4.40 (#peak 598 #SUP 0.88 #QF 0.69)
&rst
ixpk= 598, nxpk= 0, iat=1501,1512, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 92 ILE HN 92 ILE QD1 4.55 (#peak 1416 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1416, nxpk= 0, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1514,1515,1516,
&end
#
# 92 ILE HN 92 ILE QG1 3.80 (#peak 599)
&rst
ixpk= 599, nxpk= 0, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1511,1512,
&end
#
# 92 ILE HN 92 ILE QG2 4.13 (#peak 600 #SUP 1.00)
&rst
ixpk= 600, nxpk= 0, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1507,1508,1509,
&end
#
# 92 ILE HN 93 VAL HN 4.70 (#peak 591 #SUP 1.00)
&rst
ixpk= 591, nxpk= 0, iat=1501,1520, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 92 ILE QD1 94 TYR QD 5.50 (#peak 1413 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1413, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1514,1515,1516,
igr2=1544,1553,
&end
#
# 92 ILE QD1 94 TYR QE 4.53 (#peak 1412 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1412, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1514,1515,1516,
igr2=1546,1551,
&end
#
# 92 ILE QD1 110 SER HA 4.93 (#peak 1411 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1411, nxpk= 0, iat= -1,1771, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1514,1515,1516,
&end
#
# 92 ILE QD1 110 SER QB 4.07 (#peak 1409)
&rst
ixpk= 1409, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1514,1515,1516,
igr2=1773,1774,
&end
#
# 92 ILE QG1 110 SER QB 4.28 (#peak 924)
&rst
ixpk= 924, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1511,1512,
igr2=1773,1774,
&end
#
# 92 ILE QG2 92 ILE QD1 2.76 (#peak 1427 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1427, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1507,1508,1509,
igr2=1514,1515,1516,
&end
#
# 92 ILE QG2 92 ILE QG1 3.18 (#peak 1428)
&rst
ixpk= 1428, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1507,1508,1509,
igr2=1511,1512,
&end
#
# 92 ILE QG2 93 VAL HN 3.36 (#peak 1418 #SUP 0.92 #QF 0.87)
&rst
ixpk= 1418, nxpk= 0, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1507,1508,1509,
&end
#
# 92 ILE QG2 94 TYR QD 4.26 (#peak 1420 #SUP 1.00)
&rst
ixpk= 1420, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1507,1508,1509,
igr2=1544,1553,
&end
#
# 92 ILE QG2 94 TYR QE 3.75 (#peak 1421 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1421, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1507,1508,1509,
igr2=1546,1551,
&end
#
# 92 ILE QG2 108 SER HB2 4.59 (#peak 1423 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1423, nxpk= 0, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1507,1508,1509,
&end
#
# 92 ILE QG2 108 SER HB3 4.59 (#peak 1647 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1647, nxpk= 0, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1507,1508,1509,
&end
#
# 92 ILE QG2 108 SER QB 3.74 (#peak 1423)
&rst
ixpk= 1423, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1507,1508,1509,
igr2=1742,1743,
&end
#
# 92 ILE QG2 109 PHE HN 4.19 (#peak 730 #SUP 0.83 #QF 0.83)
&rst
ixpk= 730, nxpk= 0, iat= -1,1749, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1507,1508,1509,
&end
#
# 92 ILE QG2 110 SER HN 5.23 (#peak 1417 #SUP 1.00)
&rst
ixpk= 1417, nxpk= 0, iat= -1,1769, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1507,1508,1509,
&end
#
# 93 VAL HA 93 VAL QG1 3.64 (#peak 2000 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2000, nxpk= 0, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1526,1527,1528,
&end
#
# 93 VAL HA 93 VAL QG2 3.64 (#peak 1450 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1450, nxpk= 0, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1530,1531,1532,
&end
#
# 93 VAL HA 94 TYR HN 3.25 (#peak 613 #SUP 0.88 #QF 0.88)
&rst
ixpk= 613, nxpk= 0, iat=1522,1536, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 93 VAL HB 100 LEU QD2 4.43 (#peak 2306 #SUP 0.96 #QF 0.95)
&rst
ixpk= 2306, nxpk= 0, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1637,1638,1639,
&end
#
# 93 VAL HB 109 PHE HN 5.14 (#peak 731 #SUP 0.99 #QF 0.99)
&rst
ixpk= 731, nxpk= 0, iat=1524,1749, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 93 VAL HB 109 PHE HZ 5.27 (#peak 1460 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1460, nxpk= 0, iat=1524,1761, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 93 VAL HN 93 VAL HB 3.75 (#peak 606 #SUP 0.91 #QF 0.91)
&rst
ixpk= 606, nxpk= 0, iat=1520,1524, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 93 VAL HN 93 VAL QG1 4.35 (#peak 605 #SUP 0.99 #QF 0.99)
&rst
ixpk= 605, nxpk= 0, iat=1520, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1526,1527,1528,
&end
#
# 93 VAL HN 93 VAL QG2 4.35 (#peak 1445 #SUP 0.98 #QF 0.97)
&rst
ixpk= 1445, nxpk= 0, iat=1520, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1530,1531,1532,
&end
#
# 93 VAL HN 93 VAL QQG 3.39 (#peak 605)
&rst
ixpk= 605, nxpk= 0, iat=1520, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 93 VAL HN 94 TYR HN 4.95 (#peak 609 #SUP 1.00 #QF 0.93)
&rst
ixpk= 609, nxpk= 0, iat=1520,1536, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 93 VAL HN 110 SER HA 4.58 (#peak 603 #SUP 0.94 #QF 0.94)
&rst
ixpk= 603, nxpk= 0, iat=1520,1771, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 93 VAL HN 110 SER HN 5.36 (#peak 732 #SUP 0.99 #QF 0.26)
&rst
ixpk= 732, nxpk= 0, iat=1520,1769, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 93 VAL HN 111 VAL HN 5.03 (#peak 604 #SUP 0.92 #QF 0.92)
&rst
ixpk= 604, nxpk= 0, iat=1520,1780, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 93 VAL QG1 94 TYR HN 4.14 (#peak 1995 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1995, nxpk= 0, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1526,1527,1528,
&end
#
# 93 VAL QG1 109 PHE HN 4.72 (#peak 728 #SUP 0.98 #QF 0.98)
&rst
ixpk= 728, nxpk= 0, iat= -1,1749, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1526,1527,1528,
&end
#
# 93 VAL QG1 109 PHE HZ 4.11 (#peak 1998 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1998, nxpk= 0, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1526,1527,1528,
&end
#
# 93 VAL QG1 109 PHE QD 4.71 (#peak 1685 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1685, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1526,1527,1528,
igr2=1757,1765,
&end
#
# 93 VAL QG2 94 TYR HN 4.14 (#peak 618 #SUP 0.85 #QF 0.85)
&rst
ixpk= 618, nxpk= 0, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1530,1531,1532,
&end
#
# 93 VAL QG2 109 PHE HN 4.72 (#peak 729 #SUP 0.94 #QF 0.94)
&rst
ixpk= 729, nxpk= 0, iat= -1,1749, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1530,1531,1532,
&end
#
# 93 VAL QG2 109 PHE HZ 4.11 (#peak 1688 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1688, nxpk= 0, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1530,1531,1532,
&end
#
# 93 VAL QG2 109 PHE QD 4.71 (#peak 1448 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1448, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1530,1531,1532,
igr2=1757,1765,
&end
#
# 93 VAL QQG 94 TYR HN 3.32 (#peak 618)
&rst
ixpk= 618, nxpk= 0, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1526,1527,1528,1530,1531,1532,
&end
#
# 93 VAL QQG 95 CYS QB 4.03 (#peak 1492)
&rst
ixpk= 1492, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1526,1527,1528,1530,1531,1532,
igr2=1561,1562,
&end
#
# 93 VAL QQG 100 LEU QD2 3.22 (#peak 1526)
&rst
ixpk= 1526, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1526,1527,1528,1530,1531,1532,
igr2=1637,1638,1639,
&end
#
# 93 VAL QQG 104 PHE QE 4.79 (#peak 1447)
&rst
ixpk= 1447, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1=1526,1527,1528,1530,1531,1532,
igr2=1691,1695,
&end
#
# 93 VAL QQG 109 PHE HN 4.05 (#peak 729)
&rst
ixpk= 729, nxpk= 0, iat= -1,1749, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1526,1527,1528,1530,1531,1532,
&end
#
# 93 VAL QQG 109 PHE HZ 3.52 (#peak 1998)
&rst
ixpk= 1998, nxpk= 0, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1526,1527,1528,1530,1531,1532,
&end
#
# 93 VAL QQG 109 PHE QD 3.96 (#peak 1448)
&rst
ixpk= 1448, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1526,1527,1528,1530,1531,1532,
igr2=1757,1765,
&end
#
# 93 VAL QQG 109 PHE QE 3.90 (#peak 1997)
&rst
ixpk= 1997, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1526,1527,1528,1530,1531,1532,
igr2=1759,1763,
&end
#
# 93 VAL QQG 110 SER HA 5.31 (#peak 2116)
&rst
ixpk= 2116, nxpk= 0, iat= -1,1771, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1=1526,1527,1528,1530,1531,1532,
&end
#
# 93 VAL QQG 111 VAL HB 5.44 (#peak 2002)
&rst
ixpk= 2002, nxpk= 0, iat= -1,1784, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1526,1527,1528,1530,1531,1532,
&end
#
# 93 VAL QQG 111 VAL HN 4.44 (#peak 737)
&rst
ixpk= 737, nxpk= 0, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1526,1527,1528,1530,1531,1532,
&end
#
# 93 VAL QQG 111 VAL QG1 4.95 (#peak 2005)
&rst
ixpk= 2005, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1=1526,1527,1528,1530,1531,1532,
igr2=1786,1787,1788,
&end
#
# 93 VAL QQG 111 VAL QG2 3.07 (#peak 1744)
&rst
ixpk= 1744, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1526,1527,1528,1530,1531,1532,
igr2=1790,1791,1792,
&end
#
# 94 TYR HA 94 TYR QD 4.37 (#peak 1476 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1476, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1544,1553,
&end
#
# 94 TYR HA 95 CYS HN 3.32 (#peak 622 #SUP 0.99 #QF 0.81)
&rst
ixpk= 622, nxpk= 0, iat=1538,1557, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 94 TYR HN 94 TYR HB2 3.83 (#peak 615 #SUP 0.94 #QF 0.94)
&rst
ixpk= 615, nxpk= 0, iat=1536,1540, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 94 TYR HN 94 TYR HB3 3.83 (#peak 614 #SUP 0.98 #QF 0.98)
&rst
ixpk= 614, nxpk= 0, iat=1536,1541, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 94 TYR HN 94 TYR QB 3.35 (#peak 615)
&rst
ixpk= 615, nxpk= 0, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1540,1541,
&end
#
# 94 TYR HN 94 TYR QD 3.92 (#peak 610 #SUP 0.96 #QF 0.96)
&rst
ixpk= 610, nxpk= 0, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1544,1553,
&end
#
# 94 TYR HN 95 CYS HN 5.31 (#peak 609 #SUP 1.00 #QF 0.93)
&rst
ixpk= 609, nxpk= 0, iat=1536,1557, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 94 TYR QB 95 CYS HN 4.16 (#peak 903)
&rst
ixpk= 903, nxpk= 0, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1540,1541,
&end
#
# 94 TYR QB 96 SER HN 4.65 (#peak 633)
&rst
ixpk= 633, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1540,1541,
&end
#
# 94 TYR QD 95 CYS HN 4.77 (#peak 1473 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1473, nxpk= 0, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1544,1553,
&end
#
# 94 TYR QD 108 SER HB2 4.02 (#peak 1638 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1638, nxpk= 0, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1544,1553,
&end
#
# 94 TYR QD 108 SER HB3 4.02 (#peak 1643 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1643, nxpk= 0, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1544,1553,
&end
#
# 94 TYR QD 108 SER QB 3.49 (#peak 1643)
&rst
ixpk= 1643, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1544,1553,
igr2=1742,1743,
&end
#
# 94 TYR QE 108 SER HB2 4.75 (#peak 1645 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1645, nxpk= 0, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1546,1551,
&end
#
# 94 TYR QE 108 SER HB3 4.75 (#peak 1644 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1644, nxpk= 0, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1546,1551,
&end
#
# 95 CYS HB2 100 LEU QB 4.25 (#peak 2338 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2338, nxpk= 0, iat=1561, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1628,1629,
&end
#
# 95 CYS HB2 100 LEU QD2 4.11 (#peak 1491 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1491, nxpk= 0, iat=1561, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1637,1638,1639,
&end
#
# 95 CYS HB2 101 GLY HN 4.56 (#peak 1488 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1488, nxpk= 0, iat=1561,1643, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 95 CYS HB3 100 LEU QB 4.25 (#peak 1495 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1495, nxpk= 0, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1628,1629,
&end
#
# 95 CYS HB3 100 LEU QD2 4.11 (#peak 1494 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1494, nxpk= 0, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1637,1638,1639,
&end
#
# 95 CYS HB3 101 GLY HN 4.56 (#peak 1498 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1498, nxpk= 0, iat=1562,1643, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 95 CYS HN 95 CYS QB 3.67 (#peak 626)
&rst
ixpk= 626, nxpk= 0, iat=1557, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1561,1562,
&end
#
# 95 CYS HN 96 SER HN 3.66 (#peak 631 #SUP 0.99 #QF 0.99)
&rst
ixpk= 631, nxpk= 0, iat=1557,1568, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 95 CYS HN 108 SER HA 3.66 (#peak 621 #SUP 0.80 #QF 0.80)
&rst
ixpk= 621, nxpk= 0, iat=1557,1740, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 95 CYS HN 108 SER QB 3.77 (#peak 1641)
&rst
ixpk= 1641, nxpk= 0, iat=1557, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1742,1743,
&end
#
# 95 CYS QB 100 LEU QD2 3.59 (#peak 1494)
&rst
ixpk= 1494, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1561,1562,
igr2=1637,1638,1639,
&end
#
# 95 CYS QB 101 GLY HN 3.96 (#peak 1498)
&rst
ixpk= 1498, nxpk= 0, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1561,1562,
&end
#
# 95 CYS QB 101 GLY QA 3.82 (#peak 1496)
&rst
ixpk= 1496, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=1561,1562,
igr2=1645,1646,
&end
#
# 96 SER HN 96 SER QB 3.28 (#peak 630 #SUP 0.98 #QF 0.98)
&rst
ixpk= 630, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1572,1573,
&end
#
# 96 SER HN 107 PRO HA 5.00 (#peak 628 #SUP 0.98 #QF 0.98)
&rst
ixpk= 628, nxpk= 0, iat=1568,1734, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 SER QB 107 PRO HA 3.92 (#peak 1501 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1501, nxpk= 0, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1572,1573,
&end
#
# 96 SER QB 107 PRO HB2 4.09 (#peak 1503 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1503, nxpk= 0, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1572,1573,
&end
#
# 96 SER QB 107 PRO HB3 4.09 (#peak 1504 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1504, nxpk= 0, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1572,1573,
&end
#
# 99 LEU HA 99 LEU HG 4.21 (#peak 2282 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2282, nxpk= 0, iat=1607,1612, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 99 LEU HA 99 LEU QD1 3.16 (#peak 2279 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2279, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1614,1615,1616,
&end
#
# 99 LEU HA 99 LEU QD2 3.85 (#peak 2202 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2202, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1618,1619,1620,
&end
#
# 99 LEU HA 102 ASP- HN 3.93 (#peak 655 #SUP 0.97 #QF 0.97)
&rst
ixpk= 655, nxpk= 0, iat=1607,1650, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 99 LEU HA 102 ASP- QB 3.97 (#peak 2203)
&rst
ixpk= 2203, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1654,1655,
&end
#
# 99 LEU HG 100 LEU HN 4.85 (#peak 637 #SUP 1.00 #QF 0.99)
&rst
ixpk= 637, nxpk= 0, iat=1612,1624, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 99 LEU HG 103 LEU QQD 3.36 (#peak 2035)
&rst
ixpk= 2035, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1671,1672,1673,1675,1676,1677,
&end
#
# 99 LEU QB 100 LEU HN 3.70 (#peak 636)
&rst
ixpk= 636, nxpk= 0, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1609,1610,
&end
#
# 99 LEU QD1 102 ASP- HN 4.56 (#peak 2095 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2095, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1614,1615,1616,
&end
#
# 99 LEU QD1 102 ASP- QB 4.26 (#peak 1543)
&rst
ixpk= 1543, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1614,1615,1616,
igr2=1654,1655,
&end
#
# 99 LEU QD1 103 LEU HN 4.37 (#peak 676 #SUP 0.77 #QF 0.77)
&rst
ixpk= 676, nxpk= 0, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1614,1615,1616,
&end
#
# 99 LEU QD2 100 LEU HN 5.50 (#peak 638 #SUP 0.98 #QF 0.24)
&rst
ixpk= 638, nxpk= 0, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1618,1619,1620,
&end
#
# 100 LEU HA 100 LEU HG 4.09 (#peak 1510 #SUP 0.99 #QF 0.26)
&rst
ixpk= 1510, nxpk= 0, iat=1626,1631, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 100 LEU HA 100 LEU QD1 3.23 (#peak 1530 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1530, nxpk= 0, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1633,1634,1635,
&end
#
# 100 LEU HA 100 LEU QD2 4.01 (#peak 1520 #SUP 1.00)
&rst
ixpk= 1520, nxpk= 0, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1637,1638,1639,
&end
#
# 100 LEU HA 103 LEU HN 4.17 (#peak 669 #SUP 0.97 #QF 0.96)
&rst
ixpk= 669, nxpk= 0, iat=1626,1662, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 100 LEU HA 103 LEU QB 3.80 (#peak 1510 #SUP 0.99 #QF 0.26)
&rst
ixpk= 1510, nxpk= 0, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1666,1667,
&end
#
# 100 LEU HA 103 LEU QQD 3.72 (#peak 2028)
&rst
ixpk= 2028, nxpk= 0, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1671,1672,1673,1675,1676,1677,
&end
#
# 100 LEU HG 104 PHE QD 4.35 (#peak 1590 #SUP 1.00)
&rst
ixpk= 1590, nxpk= 0, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1689,1697,
&end
#
# 100 LEU HG 104 PHE QE 4.46 (#peak 1602 #SUP 0.98 #QF 0.96)
&rst
ixpk= 1602, nxpk= 0, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1691,1695,
&end
#
# 100 LEU HN 100 LEU QB 3.88 (#peak 1514 #SUP 1.00)
&rst
ixpk= 1514, nxpk= 0, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1628,1629,
&end
#
# 100 LEU HN 100 LEU QD1 4.94 (#peak 639 #SUP 0.97 #QF 0.91)
&rst
ixpk= 639, nxpk= 0, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1633,1634,1635,
&end
#
# 100 LEU HN 100 LEU QD2 4.79 (#peak 1523 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1523, nxpk= 0, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1637,1638,1639,
&end
#
# 100 LEU HN 101 GLY HN 3.82 (#peak 640 #SUP 0.95 #QF 0.95)
&rst
ixpk= 640, nxpk= 0, iat=1624,1643, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 100 LEU HN 102 ASP- HN 4.74 (#peak 652 #SUP 0.98 #QF 0.98)
&rst
ixpk= 652, nxpk= 0, iat=1624,1650, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 100 LEU HN 103 LEU QQD 5.25 (#peak 639)
&rst
ixpk= 639, nxpk= 0, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr2=1671,1672,1673,1675,1676,1677,
&end
#
# 100 LEU QB 100 LEU QD1 3.43 (#peak 1531 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1531, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1628,1629,
igr2=1633,1634,1635,
&end
#
# 100 LEU QB 100 LEU QD2 3.72 (#peak 1518 #SUP 0.98 #QF 0.48)
&rst
ixpk= 1518, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1628,1629,
igr2=1637,1638,1639,
&end
#
# 100 LEU QB 101 GLY HN 3.94 (#peak 647 #SUP 0.98 #QF 0.98)
&rst
ixpk= 647, nxpk= 0, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1628,1629,
&end
#
# 100 LEU QB 102 ASP- HN 5.07 (#peak 659 #SUP 0.94 #QF 0.94)
&rst
ixpk= 659, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1628,1629,
&end
#
# 100 LEU QB 104 PHE QD 4.65 (#peak 1589 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1589, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1628,1629,
igr2=1689,1697,
&end
#
# 100 LEU QD1 101 GLY HN 5.25 (#peak 649 #SUP 0.94 #QF 0.85)
&rst
ixpk= 649, nxpk= 0, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1633,1634,1635,
&end
#
# 100 LEU QD1 104 PHE HZ 5.00 (#peak 1605 #SUP 0.92 #QF 0.75)
&rst
ixpk= 1605, nxpk= 0, iat= -1,1693, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1633,1634,1635,
&end
#
# 100 LEU QD1 104 PHE QD 3.93 (#peak 1594 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1594, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1633,1634,1635,
igr2=1689,1697,
&end
#
# 100 LEU QD1 104 PHE QE 3.38 (#peak 1529 #SUP 0.98 #QF 0.40)
&rst
ixpk= 1529, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1633,1634,1635,
igr2=1691,1695,
&end
#
# 100 LEU QD2 101 GLY HN 4.53 (#peak 648 #SUP 0.99 #QF 0.99)
&rst
ixpk= 648, nxpk= 0, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1637,1638,1639,
&end
#
# 100 LEU QD2 104 PHE QD 4.19 (#peak 1522 #SUP 0.96 #QF 0.81)
&rst
ixpk= 1522, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1637,1638,1639,
igr2=1689,1697,
&end
#
# 100 LEU QD2 104 PHE QE 3.23 (#peak 1521 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1521, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1637,1638,1639,
igr2=1691,1695,
&end
#
# 101 GLY HN 102 ASP- HN 3.33 (#peak 650 #SUP 0.98 #QF 0.98)
&rst
ixpk= 650, nxpk= 0, iat=1643,1650, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 101 GLY HN 103 LEU HN 4.51 (#peak 666 #SUP 0.98 #QF 0.98)
&rst
ixpk= 666, nxpk= 0, iat=1643,1662, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 101 GLY HN 103 LEU QQD 5.44 (#peak 649)
&rst
ixpk= 649, nxpk= 0, iat=1643, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1671,1672,1673,1675,1676,1677,
&end
#
# 102 ASP- HB2 103 LEU HN 4.14 (#peak 671 #SUP 0.99 #QF 0.99)
&rst
ixpk= 671, nxpk= 0, iat=1654,1662, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 102 ASP- HB3 103 LEU HN 4.14 (#peak 670 #SUP 0.99 #QF 0.99)
&rst
ixpk= 670, nxpk= 0, iat=1655,1662, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 102 ASP- HN 102 ASP- HB2 3.65 (#peak 658 #SUP 0.95 #QF 0.95)
&rst
ixpk= 658, nxpk= 0, iat=1650,1654, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 102 ASP- HN 102 ASP- HB3 3.65 (#peak 657 #SUP 0.96 #QF 0.96)
&rst
ixpk= 657, nxpk= 0, iat=1650,1655, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 102 ASP- HN 102 ASP- QB 3.12 (#peak 657)
&rst
ixpk= 657, nxpk= 0, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2=1654,1655,
&end
#
# 102 ASP- HN 103 LEU HN 3.28 (#peak 651 #SUP 0.99 #QF 0.99)
&rst
ixpk= 651, nxpk= 0, iat=1650,1662, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 102 ASP- HN 103 LEU QB 4.47 (#peak 1561 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1561, nxpk= 0, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1666,1667,
&end
#
# 102 ASP- HN 103 LEU QQD 5.03 (#peak 663)
&rst
ixpk= 663, nxpk= 0, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr2=1671,1672,1673,1675,1676,1677,
&end
#
# 102 ASP- HN 104 PHE HN 4.93 (#peak 653 #SUP 0.99 #QF 0.99)
&rst
ixpk= 653, nxpk= 0, iat=1650,1681, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 102 ASP- QB 103 LEU HA 4.79 (#peak 1568)
&rst
ixpk= 1568, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1654,1655,
&end
#
# 102 ASP- QB 103 LEU HN 3.58 (#peak 670)
&rst
ixpk= 670, nxpk= 0, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=1654,1655,
&end
#
# 103 LEU HA 103 LEU HG 3.93 (#peak 1570 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1570, nxpk= 0, iat=1664,1669, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 103 LEU HA 103 LEU QQD 3.28 (#peak 1572)
&rst
ixpk= 1572, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1671,1672,1673,1675,1676,1677,
&end
#
# 103 LEU HA 105 GLY HN 4.67 (#peak 694 #SUP 0.64 #QF 0.64)
&rst
ixpk= 694, nxpk= 0, iat=1664,1701, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 103 LEU HA 124 MET QE 3.72 (#peak 692 #SUP 0.85 #QF 0.85)
&rst
ixpk= 692, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=2016,2017,2018,
&end
#
# 103 LEU HA 124 MET QG 4.91 (#peak 679 #SUP 0.78 #QF 0.48)
&rst
ixpk= 679, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2012,2013,
&end
#
# 103 LEU HG 104 PHE HN 4.84 (#peak 687 #SUP 1.00)
&rst
ixpk= 687, nxpk= 0, iat=1669,1681, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 103 LEU HN 103 LEU HG 4.06 (#peak 673 #SUP 1.00)
&rst
ixpk= 673, nxpk= 0, iat=1662,1669, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 103 LEU HN 103 LEU QB 3.38 (#peak 1559 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1559, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1666,1667,
&end
#
# 103 LEU HN 103 LEU QD1 4.24 (#peak 675 #SUP 0.96 #QF 0.86)
&rst
ixpk= 675, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1671,1672,1673,
&end
#
# 103 LEU HN 103 LEU QD2 4.24 (#peak 1547 #SUP 1.00)
&rst
ixpk= 1547, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1675,1676,1677,
&end
#
# 103 LEU HN 103 LEU QQD 3.50 (#peak 675)
&rst
ixpk= 675, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1671,1672,1673,1675,1676,1677,
&end
#
# 103 LEU HN 104 PHE HN 3.48 (#peak 664 #SUP 1.00)
&rst
ixpk= 664, nxpk= 0, iat=1662,1681, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 103 LEU HN 105 GLY HN 4.38 (#peak 692 #SUP 0.94 #QF 0.94)
&rst
ixpk= 692, nxpk= 0, iat=1662,1701, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 103 LEU HN 124 MET QE 5.19 (#peak 685 #SUP 0.99 #QF 0.99)
&rst
ixpk= 685, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=2016,2017,2018,
&end
#
# 103 LEU QB 103 LEU QD1 3.32 (#peak 1566 #SUP 1.00 #QF 0.98)
&rst
ixpk= 1566, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1666,1667,
igr2=1671,1672,1673,
&end
#
# 103 LEU QB 103 LEU QD2 3.32 (#peak 1556 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1556, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1666,1667,
igr2=1675,1676,1677,
&end
#
# 103 LEU QB 103 LEU QQD 2.81 (#peak 1556)
&rst
ixpk= 1556, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1666,1667,
igr2=1671,1672,1673,1675,1676,1677,
&end
#
# 103 LEU QB 104 PHE HN 3.44 (#peak 686 #SUP 0.98 #QF 0.98)
&rst
ixpk= 686, nxpk= 0, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=1666,1667,
&end
#
# 103 LEU QB 104 PHE QD 4.42 (#peak 1562 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1562, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1666,1667,
igr2=1689,1697,
&end
#
# 103 LEU QB 105 GLY HN 4.66 (#peak 698 #SUP 0.84 #QF 0.84)
&rst
ixpk= 698, nxpk= 0, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1666,1667,
&end
#
# 103 LEU QB 124 MET QG 4.83 (#peak 1565 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1565, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1666,1667,
igr2=2012,2013,
&end
#
# 103 LEU QD1 104 PHE HN 5.46 (#peak 689 #SUP 0.99 #QF 0.99)
&rst
ixpk= 689, nxpk= 0, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1671,1672,1673,
&end
#
# 103 LEU QD2 104 PHE HN 5.46 (#peak 2024 #SUP 0.96 #QF 0.93)
&rst
ixpk= 2024, nxpk= 0, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1675,1676,1677,
&end
#
# 103 LEU QQD 104 PHE HN 4.01 (#peak 689)
&rst
ixpk= 689, nxpk= 0, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1671,1672,1673,1675,1676,1677,
&end
#
# 103 LEU QQD 124 MET QB 4.35 (#peak 2031)
&rst
ixpk= 2031, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1671,1672,1673,1675,1676,1677,
igr2=2009,2010,
&end
#
# 103 LEU QQD 124 MET QE 3.46 (#peak 697)
&rst
ixpk= 697, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1671,1672,1673,1675,1676,1677,
igr2=2016,2017,2018,
&end
#
# 103 LEU QQD 124 MET QG 3.97 (#peak 2030)
&rst
ixpk= 2030, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1671,1672,1673,1675,1676,1677,
igr2=2012,2013,
&end
#
# 104 PHE HA 104 PHE QD 4.27 (#peak 1586 #SUP 1.00)
&rst
ixpk= 1586, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1689,1697,
&end
#
# 104 PHE HA 106 VAL HN 5.11 (#peak 703 #SUP 0.95 #QF 0.95)
&rst
ixpk= 703, nxpk= 0, iat=1683,1708, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 104 PHE HA 124 MET QE 3.38 (#peak 690 #SUP 0.73 #QF 0.73)
&rst
ixpk= 690, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=2016,2017,2018,
&end
#
# 104 PHE HB2 105 GLY HN 4.41 (#peak 697 #SUP 0.97 #QF 0.97)
&rst
ixpk= 697, nxpk= 0, iat=1685,1701, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 104 PHE HB2 106 VAL HN 4.16 (#peak 706 #SUP 0.99 #QF 0.99)
&rst
ixpk= 706, nxpk= 0, iat=1685,1708, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 104 PHE HB2 106 VAL QG2 3.52 (#peak 1624 #SUP 0.98 #QF 0.94)
&rst
ixpk= 1624, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1718,1719,1720,
&end
#
# 104 PHE HB3 105 GLY HN 4.41 (#peak 696 #SUP 0.65 #QF 0.65)
&rst
ixpk= 696, nxpk= 0, iat=1686,1701, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 104 PHE HB3 106 VAL HN 4.16 (#peak 705 #SUP 0.96 #QF 0.96)
&rst
ixpk= 705, nxpk= 0, iat=1686,1708, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 104 PHE HB3 106 VAL QG2 3.52 (#peak 1623 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1623, nxpk= 0, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1718,1719,1720,
&end
#
# 104 PHE HN 104 PHE HB2 3.70 (#peak 685 #SUP 0.99 #QF 0.99)
&rst
ixpk= 685, nxpk= 0, iat=1681,1685, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 104 PHE HN 104 PHE HB3 3.70 (#peak 684 #SUP 0.91 #QF 0.91)
&rst
ixpk= 684, nxpk= 0, iat=1681,1686, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 104 PHE HN 104 PHE QB 3.21 (#peak 685)
&rst
ixpk= 685, nxpk= 0, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1685,1686,
&end
#
# 104 PHE HN 104 PHE QD 3.85 (#peak 679 #SUP 0.84 #QF 0.84)
&rst
ixpk= 679, nxpk= 0, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1689,1697,
&end
#
# 104 PHE HN 105 GLY HN 3.31 (#peak 691 #SUP 0.99 #QF 0.99)
&rst
ixpk= 691, nxpk= 0, iat=1681,1701, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 104 PHE HN 105 GLY QA 4.79 (#peak 683 #SUP 0.99 #QF 0.99)
&rst
ixpk= 683, nxpk= 0, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1703,1704,
&end
#
# 104 PHE HN 106 VAL HN 4.52 (#peak 700 #SUP 0.99 #QF 0.99)
&rst
ixpk= 700, nxpk= 0, iat=1681,1708, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 104 PHE HN 106 VAL QG2 4.74 (#peak 688 #SUP 1.00)
&rst
ixpk= 688, nxpk= 0, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1718,1719,1720,
&end
#
# 104 PHE HN 124 MET QE 4.51 (#peak 684 #SUP 0.99 #QF 0.99)
&rst
ixpk= 684, nxpk= 0, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2016,2017,2018,
&end
#
# 104 PHE HZ 117 ILE QG2 4.16 (#peak 1979 #SUP 0.89 #QF 0.73)
&rst
ixpk= 1979, nxpk= 0, iat=1693, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1902,1903,1904,
&end
#
# 104 PHE HZ 124 MET QE 4.52 (#peak 688 #SUP 0.98 #QF 0.98)
&rst
ixpk= 688, nxpk= 0, iat=1693, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=2016,2017,2018,
&end
#
# 104 PHE QB 106 VAL HN 3.65 (#peak 705)
&rst
ixpk= 705, nxpk= 0, iat= -1,1708, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1685,1686,
&end
#
# 104 PHE QB 106 VAL QG1 4.40 (#peak 1631)
&rst
ixpk= 1631, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1685,1686,
igr2=1714,1715,1716,
&end
#
# 104 PHE QB 106 VAL QG2 2.99 (#peak 1623)
&rst
ixpk= 1623, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1685,1686,
igr2=1718,1719,1720,
&end
#
# 104 PHE QB 120 MET QE 3.72 (#peak 2295)
&rst
ixpk= 2295, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1685,1686,
igr2=1961,1962,1963,
&end
#
# 104 PHE QD 106 VAL QG2 4.77 (#peak 1593 #SUP 0.97 #QF 0.87)
&rst
ixpk= 1593, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1689,1697,
igr2=1718,1719,1720,
&end
#
# 104 PHE QD 120 MET QE 3.50 (#peak 1909 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1909, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1689,1697,
igr2=1961,1962,1963,
&end
#
# 104 PHE QD 124 MET QE 3.43 (#peak 687 #SUP 0.92 #QF 0.92)
&rst
ixpk= 687, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1689,1697,
igr2=2016,2017,2018,
&end
#
# 104 PHE QE 117 ILE QG2 4.08 (#peak 1980 #SUP 0.96 #QF 0.93)
&rst
ixpk= 1980, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1691,1695,
igr2=1902,1903,1904,
&end
#
# 104 PHE QE 120 MET QE 4.09 (#peak 1910 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1910, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1691,1695,
igr2=1961,1962,1963,
&end
#
# 104 PHE QE 121 MET QE 4.47 (#peak 1884 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1884, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1691,1695,
igr2=1978,1979,1980,
&end
#
# 104 PHE QE 121 MET QG 5.02 (#peak 1157)
&rst
ixpk= 1157, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1691,1695,
igr2=1974,1975,
&end
#
# 104 PHE QE 124 MET QE 3.57 (#peak 689 #SUP 0.89 #QF 0.89)
&rst
ixpk= 689, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=1691,1695,
igr2=2016,2017,2018,
&end
#
# 105 GLY HN 106 VAL HN 3.35 (#peak 701 #SUP 1.00)
&rst
ixpk= 701, nxpk= 0, iat=1701,1708, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 105 GLY HN 106 VAL QG2 4.34 (#peak 699 #SUP 0.98 #QF 0.98)
&rst
ixpk= 699, nxpk= 0, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1718,1719,1720,
&end
#
# 105 GLY QA 106 VAL HN 3.51 (#peak 704 #SUP 1.00)
&rst
ixpk= 704, nxpk= 0, iat= -1,1708, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1703,1704,
&end
#
# 106 VAL HA 106 VAL QG1 3.27 (#peak 1634 #SUP 1.00)
&rst
ixpk= 1634, nxpk= 0, iat=1710, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1714,1715,1716,
&end
#
# 106 VAL HA 106 VAL QG2 3.93 (#peak 1621 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1621, nxpk= 0, iat=1710, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1718,1719,1720,
&end
#
# 106 VAL HA 107 PRO HD2 3.67 (#peak 1654 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1654, nxpk= 0, iat=1710,1725, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 106 VAL HA 107 PRO HD3 3.67 (#peak 1655 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1655, nxpk= 0, iat=1710,1726, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 106 VAL HA 107 PRO QG 4.26 (#peak 1667 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1667, nxpk= 0, iat=1710, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1728,1729,
&end
#
# 106 VAL HA 108 SER HN 4.50 (#peak 719 #SUP 0.98 #QF 0.98)
&rst
ixpk= 719, nxpk= 0, iat=1710,1738, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 VAL HB 107 PRO HD2 3.68 (#peak 1656 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1656, nxpk= 0, iat=1712,1725, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 106 VAL HB 107 PRO HD3 3.68 (#peak 1658 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1658, nxpk= 0, iat=1712,1726, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 106 VAL HB 108 SER HN 3.44 (#peak 713 #SUP 0.93 #QF 0.93)
&rst
ixpk= 713, nxpk= 0, iat=1712,1738, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 106 VAL HN 106 VAL HB 4.05 (#peak 707 #SUP 0.99 #QF 0.99)
&rst
ixpk= 707, nxpk= 0, iat=1708,1712, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 106 VAL HN 106 VAL QG1 3.56 (#peak 1635 #SUP 1.00)
&rst
ixpk= 1635, nxpk= 0, iat=1708, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1714,1715,1716,
&end
#
# 106 VAL HN 106 VAL QG2 2.94 (#peak 1618 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1618, nxpk= 0, iat=1708, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1718,1719,1720,
&end
#
# 106 VAL QG1 107 PRO HD2 3.89 (#peak 1633 #SUP 1.00 #QF 0.85)
&rst
ixpk= 1633, nxpk= 0, iat= -1,1725, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1714,1715,1716,
&end
#
# 106 VAL QG1 107 PRO HD3 3.89 (#peak 1661 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1661, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1714,1715,1716,
&end
#
# 106 VAL QG1 107 PRO QD 3.40 (#peak 1633)
&rst
ixpk= 1633, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1714,1715,1716,
igr2=1725,1726,
&end
#
# 106 VAL QG1 107 PRO QG 4.40 (#peak 1628 #SUP 1.00)
&rst
ixpk= 1628, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1714,1715,1716,
igr2=1728,1729,
&end
#
# 106 VAL QG1 108 SER HN 4.31 (#peak 1636 #SUP 1.00)
&rst
ixpk= 1636, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1714,1715,1716,
&end
#
# 106 VAL QG1 120 MET QE 4.00 (#peak 1629 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1629, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1714,1715,1716,
igr2=1961,1962,1963,
&end
#
# 106 VAL QG2 107 PRO HD2 4.89 (#peak 1622 #SUP 0.96 #QF 0.35)
&rst
ixpk= 1622, nxpk= 0, iat= -1,1725, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1718,1719,1720,
&end
#
# 106 VAL QG2 107 PRO HD3 4.89 (#peak 1663 #SUP 1.00)
&rst
ixpk= 1663, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1718,1719,1720,
&end
#
# 106 VAL QG2 107 PRO QD 4.00 (#peak 1622)
&rst
ixpk= 1622, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1718,1719,1720,
igr2=1725,1726,
&end
#
# 106 VAL QG2 108 SER HN 3.60 (#peak 1617 #SUP 1.00)
&rst
ixpk= 1617, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1718,1719,1720,
&end
#
# 106 VAL QG2 109 PHE HN 5.43 (#peak 1620 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1620, nxpk= 0, iat= -1,1749, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1718,1719,1720,
&end
#
# 106 VAL QG2 109 PHE QB 3.77 (#peak 1624 #SUP 0.98 #QF 0.94)
&rst
ixpk= 1624, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1718,1719,1720,
igr2=1753,1754,
&end
#
# 106 VAL QG2 109 PHE QD 3.32 (#peak 1619 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1619, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1718,1719,1720,
igr2=1757,1765,
&end
#
# 106 VAL QG2 120 MET QE 3.05 (#peak 1918 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1918, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1718,1719,1720,
igr2=1961,1962,1963,
&end
#
# 107 PRO HD2 108 SER HN 4.01 (#peak 717 #SUP 0.99 #QF 0.99)
&rst
ixpk= 717, nxpk= 0, iat=1725,1738, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 107 PRO HD3 108 SER HN 4.01 (#peak 716 #SUP 1.00)
&rst
ixpk= 716, nxpk= 0, iat=1726,1738, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 107 PRO QB 108 SER HN 3.72 (#peak 712)
&rst
ixpk= 712, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1731,1732,
&end
#
# 107 PRO QD 108 SER HN 3.32 (#peak 717)
&rst
ixpk= 717, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1=1725,1726,
&end
#
# 107 PRO QG 108 SER HN 3.55 (#peak 714 #SUP 0.99 #QF 0.99)
&rst
ixpk= 714, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1728,1729,
&end
#
# 108 SER HA 109 PHE HN 3.15 (#peak 724 #SUP 0.88 #QF 0.88)
&rst
ixpk= 724, nxpk= 0, iat=1740,1749, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 108 SER HN 109 PHE HN 4.47 (#peak 721 #SUP 0.95 #QF 0.95)
&rst
ixpk= 721, nxpk= 0, iat=1738,1749, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 108 SER QB 109 PHE HN 3.31 (#peak 726)
&rst
ixpk= 726, nxpk= 0, iat= -1,1749, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=1742,1743,
&end
#
# 109 PHE HN 109 PHE QD 4.05 (#peak 722 #SUP 0.95 #QF 0.95)
&rst
ixpk= 722, nxpk= 0, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1757,1765,
&end
#
# 109 PHE HN 110 SER HN 4.62 (#peak 723 #SUP 0.98 #QF 0.98)
&rst
ixpk= 723, nxpk= 0, iat=1749,1769, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 109 PHE HZ 111 VAL QG1 4.94 (#peak 1714 #SUP 1.00)
&rst
ixpk= 1714, nxpk= 0, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1786,1787,1788,
&end
#
# 109 PHE HZ 111 VAL QG2 3.73 (#peak 1731 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1731, nxpk= 0, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1790,1791,1792,
&end
#
# 109 PHE HZ 117 ILE QD1 3.88 (#peak 1691 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1691, nxpk= 0, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1909,1910,1911,
&end
#
# 109 PHE HZ 117 ILE QG2 4.70 (#peak 1980 #SUP 0.96 #QF 0.93)
&rst
ixpk= 1980, nxpk= 0, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1902,1903,1904,
&end
#
# 109 PHE QB 110 SER HN 3.68 (#peak 899 #SUP 0.91 #QF 0.91)
&rst
ixpk= 899, nxpk= 0, iat= -1,1769, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1753,1754,
&end
#
# 109 PHE QD 110 SER HN 4.40 (#peak 733 #SUP 0.96 #QF 0.96)
&rst
ixpk= 733, nxpk= 0, iat= -1,1769, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1757,1765,
&end
#
# 109 PHE QD 111 VAL HA 4.63 (#peak 1704 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1704, nxpk= 0, iat= -1,1782, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1757,1765,
&end
#
# 109 PHE QD 111 VAL QG1 5.50 (#peak 1715 #SUP 0.99 #QF 0.49)
&rst
ixpk= 1715, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1757,1765,
igr2=1786,1787,1788,
&end
#
# 109 PHE QD 111 VAL QG2 4.20 (#peak 1732 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1732, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1757,1765,
igr2=1790,1791,1792,
&end
#
# 109 PHE QD 117 ILE QD1 3.66 (#peak 1817 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1817, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1757,1765,
igr2=1909,1910,1911,
&end
#
# 109 PHE QD 120 MET QE 3.58 (#peak 1911 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1911, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1757,1765,
igr2=1961,1962,1963,
&end
#
# 109 PHE QE 111 VAL QG1 3.89 (#peak 1712 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1712, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1759,1763,
igr2=1786,1787,1788,
&end
#
# 109 PHE QE 111 VAL QG2 4.49 (#peak 2162 #SUP 0.98 #QF 0.31)
&rst
ixpk= 2162, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1759,1763,
igr2=1790,1791,1792,
&end
#
# 110 SER HA 111 VAL HN 3.51 (#peak 744 #SUP 0.96 #QF 0.96)
&rst
ixpk= 744, nxpk= 0, iat=1771,1780, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 110 SER HA 111 VAL QG2 4.56 (#peak 2117 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2117, nxpk= 0, iat=1771, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1790,1791,1792,
&end
#
# 110 SER HN 110 SER HB2 3.95 (#peak 736 #SUP 0.97 #QF 0.97)
&rst
ixpk= 736, nxpk= 0, iat=1769,1773, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 110 SER HN 110 SER HB3 3.95 (#peak 735 #SUP 0.97 #QF 0.97)
&rst
ixpk= 735, nxpk= 0, iat=1769,1774, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 111 VAL HA 111 VAL QG1 3.47 (#peak 1717 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1717, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1786,1787,1788,
&end
#
# 111 VAL HA 111 VAL QG2 3.49 (#peak 1735 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1735, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1790,1791,1792,
&end
#
# 111 VAL HA 117 ILE QD1 3.05 (#peak 1819 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1819, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1909,1910,1911,
&end
#
# 111 VAL HB 117 ILE QD1 4.29 (#peak 1709 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1709, nxpk= 0, iat=1784, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1909,1910,1911,
&end
#
# 111 VAL HN 111 VAL HB 3.94 (#peak 741 #SUP 0.88 #QF 0.88)
&rst
ixpk= 741, nxpk= 0, iat=1780,1784, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 111 VAL HN 111 VAL QG1 4.12 (#peak 1710 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1710, nxpk= 0, iat=1780, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1786,1787,1788,
&end
#
# 111 VAL HN 111 VAL QG2 3.23 (#peak 1726 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1726, nxpk= 0, iat=1780, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1790,1791,1792,
&end
#
# 111 VAL HN 112 LYS+ HN 4.44 (#peak 745 #SUP 0.91 #QF 0.91)
&rst
ixpk= 745, nxpk= 0, iat=1780,1796, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 111 VAL HN 117 ILE QD1 4.53 (#peak 738 #SUP 0.88 #QF 0.88)
&rst
ixpk= 738, nxpk= 0, iat=1780, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1909,1910,1911,
&end
#
# 111 VAL QG1 117 ILE QD1 3.56 (#peak 1823 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1823, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1786,1787,1788,
igr2=1909,1910,1911,
&end
#
# 111 VAL QG2 112 LYS+ HN 4.49 (#peak 1727 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1727, nxpk= 0, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1790,1791,1792,
&end
#
# 111 VAL QG2 117 ILE QD1 3.75 (#peak 1742 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1742, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1790,1791,1792,
igr2=1909,1910,1911,
&end
#
# 112 LYS+ HB2 113 GLU- HN 4.72 (#peak 748 #SUP 0.91 #QF 0.91)
&rst
ixpk= 748, nxpk= 0, iat=1800,1818, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 112 LYS+ HB3 113 GLU- HN 4.72 (#peak 747 #SUP 1.00)
&rst
ixpk= 747, nxpk= 0, iat=1801,1818, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 112 LYS+ HN 113 GLU- HN 3.65 (#peak 754 #SUP 0.71 #QF 0.71)
&rst
ixpk= 754, nxpk= 0, iat=1796,1818, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 112 LYS+ QB 112 LYS+ QE 4.24 (#peak 2100)
&rst
ixpk= 2100, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1800,1801,
igr2=1809,1810,
&end
#
# 112 LYS+ QB 113 GLU- HN 4.11 (#peak 748)
&rst
ixpk= 748, nxpk= 0, iat= -1,1818, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1800,1801,
&end
#
# 112 LYS+ QG 113 GLU- HN 4.77 (#peak 746 #SUP 1.00 #QF 0.66)
&rst
ixpk= 746, nxpk= 0, iat= -1,1818, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1803,1804,
&end
#
# 113 GLU- HA 113 GLU- HG2 3.96 (#peak 1756 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1756, nxpk= 0, iat=1820,1825, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 113 GLU- HA 113 GLU- HG3 3.96 (#peak 1757 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1757, nxpk= 0, iat=1820,1826, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 113 GLU- HA 113 GLU- QG 3.47 (#peak 1756)
&rst
ixpk= 1756, nxpk= 0, iat=1820, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1825,1826,
&end
#
# 113 GLU- HA 114 HIS HN 3.18 (#peak 756 #SUP 0.86 #QF 0.86)
&rst
ixpk= 756, nxpk= 0, iat=1820,1833, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 113 GLU- HG2 114 HIS HN 5.37 (#peak 759 #SUP 0.99 #QF 0.99)
&rst
ixpk= 759, nxpk= 0, iat=1825,1833, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 113 GLU- HG3 114 HIS HN 5.37 (#peak 761 #SUP 0.99 #QF 0.99)
&rst
ixpk= 761, nxpk= 0, iat=1826,1833, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 113 GLU- HN 113 GLU- HB2 4.16 (#peak 1751 #SUP 0.96 #QF 0.95)
&rst
ixpk= 1751, nxpk= 0, iat=1818,1822, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 113 GLU- HN 113 GLU- HB3 4.16 (#peak 751 #SUP 0.98 #QF 0.98)
&rst
ixpk= 751, nxpk= 0, iat=1818,1823, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 113 GLU- HN 113 GLU- HG2 3.86 (#peak 750 #SUP 0.90 #QF 0.90)
&rst
ixpk= 750, nxpk= 0, iat=1818,1825, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 113 GLU- HN 113 GLU- HG3 3.86 (#peak 749 #SUP 0.93 #QF 0.93)
&rst
ixpk= 749, nxpk= 0, iat=1818,1826, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 113 GLU- HN 113 GLU- QB 3.59 (#peak 751)
&rst
ixpk= 751, nxpk= 0, iat=1818, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1822,1823,
&end
#
# 113 GLU- HN 113 GLU- QG 3.22 (#peak 750)
&rst
ixpk= 750, nxpk= 0, iat=1818, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1825,1826,
&end
#
# 113 GLU- HN 117 ILE QD1 4.07 (#peak 1814 #SUP 0.68 #QF 0.68)
&rst
ixpk= 1814, nxpk= 0, iat=1818, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1909,1910,1911,
&end
#
# 113 GLU- QG 114 HIS HN 4.69 (#peak 761)
&rst
ixpk= 761, nxpk= 0, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1825,1826,
&end
#
# 114 HIS HA 117 ILE HN 4.55 (#peak 669 #SUP 0.97 #QF 0.96)
&rst
ixpk= 669, nxpk= 0, iat=1835,1896, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 114 HIS HA 117 ILE QD1 3.66 (#peak 1818 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1818, nxpk= 0, iat=1835, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1909,1910,1911,
&end
#
# 114 HIS HA 117 ILE QG2 4.72 (#peak 1982 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1982, nxpk= 0, iat=1835, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1902,1903,1904,
&end
#
# 114 HIS HN 114 HIS HB2 3.87 (#peak 902 #SUP 0.98 #QF 0.98)
&rst
ixpk= 902, nxpk= 0, iat=1833,1837, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 114 HIS HN 114 HIS HB3 3.87 (#peak 758 #SUP 0.96 #QF 0.96)
&rst
ixpk= 758, nxpk= 0, iat=1833,1838, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 114 HIS HN 115 ARG+ HN 4.27 (#peak 755 #SUP 0.90 #QF 0.90)
&rst
ixpk= 755, nxpk= 0, iat=1833,1850, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 114 HIS HN 116 LYS+ HN 4.87 (#peak 771 #SUP 0.54 #QF 0.54)
&rst
ixpk= 771, nxpk= 0, iat=1833,1874, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 114 HIS HN 117 ILE QD1 4.83 (#peak 762 #SUP 0.93 #QF 0.93)
&rst
ixpk= 762, nxpk= 0, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1909,1910,1911,
&end
#
# 114 HIS QB 115 ARG+ HN 4.39 (#peak 767)
&rst
ixpk= 767, nxpk= 0, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1837,1838,
&end
#
# 114 HIS QB 118 TYR QD 5.34 (#peak 830)
&rst
ixpk= 830, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1837,1838,
igr2=1923,1932,
&end
#
# 114 HIS QB 118 TYR QE 4.52 (#peak 1852)
&rst
ixpk= 1852, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1837,1838,
igr2=1925,1930,
&end
#
# 115 ARG+ HA 115 ARG+ QD 4.54 (#peak 1772 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1772, nxpk= 0, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1860,1861,
&end
#
# 115 ARG+ HA 115 ARG+ QG 3.90 (#peak 2283 #SUP 0.98 #QF 0.52)
&rst
ixpk= 2283, nxpk= 0, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1857,1858,
&end
#
# 115 ARG+ HA 118 TYR HN 3.79 (#peak 786 #SUP 0.44 #QF 0.44)
&rst
ixpk= 786, nxpk= 0, iat=1852,1915, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 115 ARG+ HA 118 TYR QB 4.29 (#peak 1771)
&rst
ixpk= 1771, nxpk= 0, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1919,1920,
&end
#
# 115 ARG+ HA 118 TYR QD 4.13 (#peak 1843 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1843, nxpk= 0, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1923,1932,
&end
#
# 115 ARG+ HN 115 ARG+ QB 3.72 (#peak 768 #SUP 0.98 #QF 0.98)
&rst
ixpk= 768, nxpk= 0, iat=1850, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1854,1855,
&end
#
# 115 ARG+ HN 115 ARG+ QG 4.30 (#peak 900 #SUP 0.60 #QF 0.47)
&rst
ixpk= 900, nxpk= 0, iat=1850, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1857,1858,
&end
#
# 115 ARG+ HN 116 LYS+ HN 4.39 (#peak 770 #SUP 0.97 #QF 0.87)
&rst
ixpk= 770, nxpk= 0, iat=1850,1874, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 115 ARG+ QB 116 LYS+ HA 4.81 (#peak 1395 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1395, nxpk= 0, iat= -1,1876, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1854,1855,
&end
#
# 115 ARG+ QB 116 LYS+ HN 3.88 (#peak 774 #SUP 0.95 #QF 0.95)
&rst
ixpk= 774, nxpk= 0, iat= -1,1874, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1854,1855,
&end
#
# 115 ARG+ QB 118 TYR QD 4.65 (#peak 1847 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1847, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1854,1855,
igr2=1923,1932,
&end
#
# 116 LYS+ HA 116 LYS+ HG2 4.11 (#peak 1780 #SUP 1.00)
&rst
ixpk= 1780, nxpk= 0, iat=1876,1881, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 116 LYS+ HA 116 LYS+ HG3 4.11 (#peak 1779 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1779, nxpk= 0, iat=1876,1882, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 116 LYS+ HA 116 LYS+ QG 3.60 (#peak 1779)
&rst
ixpk= 1779, nxpk= 0, iat=1876, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1881,1882,
&end
#
# 116 LYS+ HA 119 THR HB 4.37 (#peak 1777 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1777, nxpk= 0, iat=1876,1940, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 116 LYS+ HA 119 THR QG2 3.36 (#peak 1137 #SUP 1.00 #QF 0.25)
&rst
ixpk= 1137, nxpk= 0, iat=1876, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1942,1943,1944,
&end
#
# 116 LYS+ HG2 116 LYS+ QE 3.81 (#peak 1788 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1788, nxpk= 0, iat=1881, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1887,1888,
&end
#
# 116 LYS+ HG2 117 ILE HN 5.50 (#peak 1785 #SUP 1.00 #QF 0.88)
&rst
ixpk= 1785, nxpk= 0, iat=1881,1896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LYS+ HG3 116 LYS+ QE 3.81 (#peak 1789 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1789, nxpk= 0, iat=1882, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1887,1888,
&end
#
# 116 LYS+ HG3 117 ILE HN 5.50 (#peak 1786 #SUP 0.95 #QF 0.87)
&rst
ixpk= 1786, nxpk= 0, iat=1882,1896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LYS+ HN 116 LYS+ HG2 5.17 (#peak 1785 #SUP 1.00 #QF 0.88)
&rst
ixpk= 1785, nxpk= 0, iat=1874,1881, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 116 LYS+ HN 116 LYS+ HG3 5.17 (#peak 1786 #SUP 0.95 #QF 0.87)
&rst
ixpk= 1786, nxpk= 0, iat=1874,1882, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 116 LYS+ HN 116 LYS+ QB 3.50 (#peak 773 #SUP 0.97 #QF 0.97)
&rst
ixpk= 773, nxpk= 0, iat=1874, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1878,1879,
&end
#
# 116 LYS+ HN 116 LYS+ QG 4.44 (#peak 1786)
&rst
ixpk= 1786, nxpk= 0, iat=1874, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1881,1882,
&end
#
# 116 LYS+ HN 117 ILE HG13 5.31 (#peak 775 #SUP 0.96 #QF 0.93)
&rst
ixpk= 775, nxpk= 0, iat=1874,1907, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 116 LYS+ HN 119 THR HN 5.39 (#peak 797 #SUP 0.84 #QF 0.22)
&rst
ixpk= 797, nxpk= 0, iat=1874,1936, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 116 LYS+ QB 117 ILE HN 3.85 (#peak 1782 #SUP 0.98 #QF 0.90)
&rst
ixpk= 1782, nxpk= 0, iat= -1,1896, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1878,1879,
&end
#
# 116 LYS+ QG 116 LYS+ QE 3.34 (#peak 1789)
&rst
ixpk= 1789, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1881,1882,
igr2=1887,1888,
&end
#
# 116 LYS+ QG 117 ILE HN 4.76 (#peak 1786)
&rst
ixpk= 1786, nxpk= 0, iat= -1,1896, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1881,1882,
&end
#
# 117 ILE HA 117 ILE HG12 4.09 (#peak 1809 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1809, nxpk= 0, iat=1898,1906, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 117 ILE HA 117 ILE HG13 3.89 (#peak 1808 #SUP 1.00)
&rst
ixpk= 1808, nxpk= 0, iat=1898,1907, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 117 ILE HA 117 ILE QD1 3.92 (#peak 1820 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1820, nxpk= 0, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1909,1910,1911,
&end
#
# 117 ILE HA 117 ILE QG2 3.18 (#peak 1983 #SUP 1.00)
&rst
ixpk= 1983, nxpk= 0, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1902,1903,1904,
&end
#
# 117 ILE HA 120 MET HB2 4.09 (#peak 2294 #SUP 0.98 #QF 0.62)
&rst
ixpk= 2294, nxpk= 0, iat=1898,1954, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 117 ILE HA 120 MET HB3 4.67 (#peak 2291 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2291, nxpk= 0, iat=1898,1955, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 117 ILE HA 120 MET HN 4.15 (#peak 1799 #SUP 1.00)
&rst
ixpk= 1799, nxpk= 0, iat=1898,1950, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 117 ILE HA 120 MET QE 3.01 (#peak 1913 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1913, nxpk= 0, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1961,1962,1963,
&end
#
# 117 ILE HA 121 MET HN 5.12 (#peak 1798 #SUP 1.00 #QF 0.97)
&rst
ixpk= 1798, nxpk= 0, iat=1898,1967, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 117 ILE HB 117 ILE QD1 3.24 (#peak 1821 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1821, nxpk= 0, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1909,1910,1911,
&end
#
# 117 ILE HB 118 TYR HN 3.65 (#peak 791 #SUP 0.98 #QF 0.98)
&rst
ixpk= 791, nxpk= 0, iat=1900,1915, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 117 ILE HG12 120 MET QE 3.48 (#peak 1916 #SUP 0.67 #QF 0.67)
&rst
ixpk= 1916, nxpk= 0, iat=1906, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1961,1962,1963,
&end
#
# 117 ILE HN 117 ILE HB 3.38 (#peak 780 #SUP 1.00)
&rst
ixpk= 780, nxpk= 0, iat=1896,1900, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 117 ILE HN 117 ILE HG12 4.02 (#peak 1812 #SUP 1.00)
&rst
ixpk= 1812, nxpk= 0, iat=1896,1906, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 117 ILE HN 117 ILE HG13 3.43 (#peak 781 #SUP 0.94 #QF 0.94)
&rst
ixpk= 781, nxpk= 0, iat=1896,1907, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 117 ILE HN 117 ILE QD1 3.57 (#peak 1813 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1813, nxpk= 0, iat=1896, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1909,1910,1911,
&end
#
# 117 ILE HN 117 ILE QG2 3.88 (#peak 1977 #SUP 1.00)
&rst
ixpk= 1977, nxpk= 0, iat=1896, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1902,1903,1904,
&end
#
# 117 ILE HN 118 TYR HN 3.53 (#peak 784 #SUP 0.99 #QF 0.99)
&rst
ixpk= 784, nxpk= 0, iat=1896,1915, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 117 ILE HN 119 THR HN 5.50 (#peak 797 #SUP 0.84 #QF 0.22)
&rst
ixpk= 797, nxpk= 0, iat=1896,1936, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 ILE QD1 118 TYR HN 4.78 (#peak 794 #SUP 1.00)
&rst
ixpk= 794, nxpk= 0, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1909,1910,1911,
&end
#
# 117 ILE QG2 117 ILE HG12 3.81 (#peak 1810 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1810, nxpk= 0, iat= -1,1906, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1902,1903,1904,
&end
#
# 117 ILE QG2 117 ILE HG13 3.41 (#peak 1989 #SUP 1.00)
&rst
ixpk= 1989, nxpk= 0, iat= -1,1907, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1902,1903,1904,
&end
#
# 117 ILE QG2 117 ILE QD1 2.79 (#peak 1991 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1991, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=1902,1903,1904,
igr2=1909,1910,1911,
&end
#
# 117 ILE QG2 118 TYR HA 3.98 (#peak 1981 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1981, nxpk= 0, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1902,1903,1904,
&end
#
# 117 ILE QG2 118 TYR HN 4.05 (#peak 792 #SUP 0.99 #QF 0.99)
&rst
ixpk= 792, nxpk= 0, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1902,1903,1904,
&end
#
# 117 ILE QG2 118 TYR QD 4.09 (#peak 1978 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1978, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1902,1903,1904,
igr2=1923,1932,
&end
#
# 117 ILE QG2 120 MET HB2 3.97 (#peak 1987 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1987, nxpk= 0, iat= -1,1954, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1902,1903,1904,
&end
#
# 117 ILE QG2 120 MET HN 4.85 (#peak 816 #SUP 0.99 #QF 0.99)
&rst
ixpk= 816, nxpk= 0, iat= -1,1950, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1902,1903,1904,
&end
#
# 117 ILE QG2 120 MET QE 3.66 (#peak 1917 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1917, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1902,1903,1904,
igr2=1961,1962,1963,
&end
#
# 117 ILE QG2 121 MET HG2 4.16 (#peak 1903 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1903, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1902,1903,1904,
&end
#
# 117 ILE QG2 121 MET HG3 4.16 (#peak 1984 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1984, nxpk= 0, iat= -1,1975, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1902,1903,1904,
&end
#
# 117 ILE QG2 121 MET HN 4.45 (#peak 1976 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1976, nxpk= 0, iat= -1,1967, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1902,1903,1904,
&end
#
# 117 ILE QG2 121 MET QB 4.02 (#peak 1986)
&rst
ixpk= 1986, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1902,1903,1904,
igr2=1971,1972,
&end
#
# 117 ILE QG2 121 MET QG 3.36 (#peak 1984)
&rst
ixpk= 1984, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1902,1903,1904,
igr2=1974,1975,
&end
#
# 118 TYR HA 118 TYR QD 3.73 (#peak 1834 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1834, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1923,1932,
&end
#
# 118 TYR HA 118 TYR QE 4.57 (#peak 1851 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1851, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1925,1930,
&end
#
# 118 TYR HA 121 MET HB2 4.69 (#peak 1839 #SUP 0.22 #QF 0.22)
&rst
ixpk= 1839, nxpk= 0, iat=1917,1971, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 118 TYR HA 121 MET HB3 4.69 (#peak 1838 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1838, nxpk= 0, iat=1917,1972, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 118 TYR HA 121 MET HN 4.05 (#peak 821 #SUP 0.87 #QF 0.87)
&rst
ixpk= 821, nxpk= 0, iat=1917,1967, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 118 TYR HA 121 MET QB 3.89 (#peak 1839)
&rst
ixpk= 1839, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1971,1972,
&end
#
# 118 TYR HA 121 MET QG 4.48 (#peak 1837)
&rst
ixpk= 1837, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1974,1975,
&end
#
# 118 TYR HB2 119 THR HN 4.18 (#peak 802 #SUP 0.88 #QF 0.88)
&rst
ixpk= 802, nxpk= 0, iat=1919,1936, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 118 TYR HB3 119 THR HN 4.18 (#peak 801 #SUP 0.98 #QF 0.98)
&rst
ixpk= 801, nxpk= 0, iat=1920,1936, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 118 TYR HN 118 TYR HB2 3.69 (#peak 790 #SUP 0.84 #QF 0.84)
&rst
ixpk= 790, nxpk= 0, iat=1915,1919, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 118 TYR HN 118 TYR HB3 3.69 (#peak 789 #SUP 0.98 #QF 0.98)
&rst
ixpk= 789, nxpk= 0, iat=1915,1920, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 118 TYR HN 118 TYR QB 3.21 (#peak 790)
&rst
ixpk= 790, nxpk= 0, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1919,1920,
&end
#
# 118 TYR HN 118 TYR QD 3.74 (#peak 785 #SUP 1.00)
&rst
ixpk= 785, nxpk= 0, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1923,1932,
&end
#
# 118 TYR HN 119 THR HN 3.58 (#peak 795 #SUP 0.99 #QF 0.99)
&rst
ixpk= 795, nxpk= 0, iat=1915,1936, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 118 TYR QB 119 THR HN 3.67 (#peak 802)
&rst
ixpk= 802, nxpk= 0, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1919,1920,
&end
#
# 118 TYR QD 119 THR HN 4.66 (#peak 798 #SUP 0.94 #QF 0.94)
&rst
ixpk= 798, nxpk= 0, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1923,1932,
&end
#
# 118 TYR QE 121 MET QG 5.34 (#peak 1853)
&rst
ixpk= 1853, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1925,1930,
igr2=1974,1975,
&end
#
# 119 THR HA 119 THR QG2 3.42 (#peak 1862 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1862, nxpk= 0, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1942,1943,1944,
&end
#
# 119 THR HA 122 ALA QB 2.98 (#peak 2329 #SUP 0.62 #QF 0.62)
&rst
ixpk= 2329, nxpk= 0, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1988,1989,1990,
&end
#
# 119 THR HB 120 MET HN 4.23 (#peak 807 #SUP 0.99 #QF 0.99)
&rst
ixpk= 807, nxpk= 0, iat=1940,1950, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 119 THR HB 122 ALA QB 5.40 (#peak 670 #SUP 0.99 #QF 0.89)
&rst
ixpk= 670, nxpk= 0, iat=1940, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1988,1989,1990,
&end
#
# 119 THR HN 119 THR HB 3.38 (#peak 799 #SUP 0.78 #QF 0.78)
&rst
ixpk= 799, nxpk= 0, iat=1936,1940, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 119 THR HN 119 THR QG2 3.94 (#peak 1140 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1140, nxpk= 0, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1942,1943,1944,
&end
#
# 119 THR HN 120 MET HB2 5.03 (#peak 803 #SUP 0.82 #QF 0.82)
&rst
ixpk= 803, nxpk= 0, iat=1936,1954, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 119 THR HN 120 MET HN 3.46 (#peak 806 #SUP 0.98 #QF 0.98)
&rst
ixpk= 806, nxpk= 0, iat=1936,1950, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 119 THR QG2 120 MET HG2 4.19 (#peak 1142 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1142, nxpk= 0, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1942,1943,1944,
&end
#
# 119 THR QG2 120 MET HG3 4.19 (#peak 1141 #SUP 0.51 #QF 0.51)
&rst
ixpk= 1141, nxpk= 0, iat= -1,1958, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1942,1943,1944,
&end
#
# 119 THR QG2 120 MET HN 3.93 (#peak 1139 #SUP 1.00)
&rst
ixpk= 1139, nxpk= 0, iat= -1,1950, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1942,1943,1944,
&end
#
# 119 THR QG2 120 MET QG 3.67 (#peak 1141)
&rst
ixpk= 1141, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1942,1943,1944,
igr2=1957,1958,
&end
#
# 119 THR QG2 122 ALA HN 5.17 (#peak 272 #SUP 0.74 #QF 0.74)
&rst
ixpk= 272, nxpk= 0, iat= -1,1984, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1942,1943,1944,
&end
#
# 120 MET HA 120 MET HG2 4.03 (#peak 1870 #SUP 0.99 #QF 0.36)
&rst
ixpk= 1870, nxpk= 0, iat=1952,1957, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 120 MET HA 120 MET HG3 4.03 (#peak 1874 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1874, nxpk= 0, iat=1952,1958, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 120 MET HA 120 MET QE 4.56 (#peak 1912 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1912, nxpk= 0, iat=1952, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1961,1962,1963,
&end
#
# 120 MET HB2 121 MET HN 3.73 (#peak 825 #SUP 0.92 #QF 0.72)
&rst
ixpk= 825, nxpk= 0, iat=1954,1967, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 120 MET HB3 121 MET HN 3.96 (#peak 826 #SUP 0.96 #QF 0.96)
&rst
ixpk= 826, nxpk= 0, iat=1955,1967, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 120 MET HG2 120 MET QE 3.51 (#peak 1915 #SUP 1.00)
&rst
ixpk= 1915, nxpk= 0, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1961,1962,1963,
&end
#
# 120 MET HG3 120 MET QE 3.51 (#peak 1914 #SUP 1.00)
&rst
ixpk= 1914, nxpk= 0, iat=1958, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1961,1962,1963,
&end
#
# 120 MET HN 120 MET HB2 3.51 (#peak 813 #SUP 1.00)
&rst
ixpk= 813, nxpk= 0, iat=1950,1954, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 120 MET HN 120 MET HB3 3.73 (#peak 814 #SUP 1.00)
&rst
ixpk= 814, nxpk= 0, iat=1950,1955, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 120 MET HN 120 MET HG2 3.96 (#peak 812 #SUP 0.99 #QF 0.99)
&rst
ixpk= 812, nxpk= 0, iat=1950,1957, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 120 MET HN 120 MET HG3 3.96 (#peak 811 #SUP 1.00)
&rst
ixpk= 811, nxpk= 0, iat=1950,1958, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 120 MET HN 120 MET QE 4.39 (#peak 1908 #SUP 1.00)
&rst
ixpk= 1908, nxpk= 0, iat=1950, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1961,1962,1963,
&end
#
# 120 MET HN 120 MET QG 3.34 (#peak 811)
&rst
ixpk= 811, nxpk= 0, iat=1950, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1957,1958,
&end
#
# 120 MET HN 121 MET HN 3.40 (#peak 805 #SUP 0.99 #QF 0.99)
&rst
ixpk= 805, nxpk= 0, iat=1950,1967, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 121 MET HA 121 MET QE 4.56 (#peak 1923 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1923, nxpk= 0, iat=1969, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1978,1979,1980,
&end
#
# 121 MET HA 122 ALA QB 5.50 (#peak 670 #SUP 0.99 #QF 0.89)
&rst
ixpk= 670, nxpk= 0, iat=1969, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1988,1989,1990,
&end
#
# 121 MET HA 124 MET HN 4.32 (#peak 282 #SUP 0.71 #QF 0.71)
&rst
ixpk= 282, nxpk= 0, iat=1969,2005, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 121 MET HA 124 MET QE 3.41 (#peak 691 #SUP 0.82 #QF 0.82)
&rst
ixpk= 691, nxpk= 0, iat=1969, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=2016,2017,2018,
&end
#
# 121 MET HA 124 MET QG 4.46 (#peak 678 #SUP 0.78 #QF 0.42)
&rst
ixpk= 678, nxpk= 0, iat=1969, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=2012,2013,
&end
#
# 121 MET HN 121 MET HB2 4.06 (#peak 825 #SUP 0.92 #QF 0.72)
&rst
ixpk= 825, nxpk= 0, iat=1967,1971, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 121 MET HN 121 MET HB3 4.06 (#peak 824 #SUP 0.99 #QF 0.99)
&rst
ixpk= 824, nxpk= 0, iat=1967,1972, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 121 MET HN 121 MET HG2 4.03 (#peak 823 #SUP 1.00)
&rst
ixpk= 823, nxpk= 0, iat=1967,1974, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 121 MET HN 121 MET HG3 4.03 (#peak 822 #SUP 0.96 #QF 0.96)
&rst
ixpk= 822, nxpk= 0, iat=1967,1975, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 121 MET HN 121 MET QB 3.36 (#peak 824)
&rst
ixpk= 824, nxpk= 0, iat=1967, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1971,1972,
&end
#
# 121 MET HN 121 MET QG 3.51 (#peak 823)
&rst
ixpk= 823, nxpk= 0, iat=1967, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1974,1975,
&end
#
# 121 MET HN 122 ALA HN 3.33 (#peak 264 #SUP 0.97 #QF 0.97)
&rst
ixpk= 264, nxpk= 0, iat=1967,1984, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 121 MET HN 122 ALA QB 4.28 (#peak 665 #SUP 0.96 #QF 0.96)
&rst
ixpk= 665, nxpk= 0, iat=1967, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1988,1989,1990,
&end
#
# 121 MET HN 123 SER HN 4.81 (#peak 765 #SUP 0.69 #QF 0.69)
&rst
ixpk= 765, nxpk= 0, iat=1967,1994, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 121 MET HN 124 MET QE 4.71 (#peak 683 #SUP 0.94 #QF 0.94)
&rst
ixpk= 683, nxpk= 0, iat=1967, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2016,2017,2018,
&end
#
# 121 MET QB 122 ALA HN 3.98 (#peak 269)
&rst
ixpk= 269, nxpk= 0, iat= -1,1984, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1971,1972,
&end
#
# 121 MET QG 121 MET QE 3.05 (#peak 1887)
&rst
ixpk= 1887, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1974,1975,
igr2=1978,1979,1980,
&end
#
# 121 MET QG 122 ALA HN 5.29 (#peak 268)
&rst
ixpk= 268, nxpk= 0, iat= -1,1984, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1974,1975,
&end
#
# 122 ALA HA 125 THR HN 4.28 (#peak 290 #SUP 0.54 #QF 0.54)
&rst
ixpk= 290, nxpk= 0, iat=1986,2022, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 122 ALA HA 125 THR QG2 4.85 (#peak 664 #SUP 0.75 #QF 0.75)
&rst
ixpk= 664, nxpk= 0, iat=1986, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=2028,2029,2030,
&end
#
# 122 ALA HN 122 ALA QB 2.78 (#peak 666 #SUP 0.96 #QF 0.96)
&rst
ixpk= 666, nxpk= 0, iat=1984, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=1988,1989,1990,
&end
#
# 122 ALA HN 123 SER HN 3.60 (#peak 265 #SUP 0.95 #QF 0.95)
&rst
ixpk= 265, nxpk= 0, iat=1984,1994, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 122 ALA HN 124 MET QG 5.50 (#peak 268 #SUP 0.88 #QF 0.84)
&rst
ixpk= 268, nxpk= 0, iat=1984, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2012,2013,
&end
#
# 122 ALA QB 123 SER HA 4.58 (#peak 669 #SUP 0.94 #QF 0.94)
&rst
ixpk= 669, nxpk= 0, iat= -1,1996, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1988,1989,1990,
&end
#
# 122 ALA QB 123 SER HN 3.71 (#peak 277 #SUP 0.98 #QF 0.98)
&rst
ixpk= 277, nxpk= 0, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1988,1989,1990,
&end
#
# 122 ALA QB 124 MET HN 4.74 (#peak 667 #SUP 0.45 #QF 0.45)
&rst
ixpk= 667, nxpk= 0, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1988,1989,1990,
&end
#
# 123 SER HA 125 THR HN 4.52 (#peak 292 #SUP 0.75 #QF 0.75)
&rst
ixpk= 292, nxpk= 0, iat=1996,2022, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 123 SER HN 123 SER QB 3.52 (#peak 276 #SUP 1.00 #QF 0.97)
&rst
ixpk= 276, nxpk= 0, iat=1994, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1998,1999,
&end
#
# 123 SER HN 124 MET HN 3.65 (#peak 278 #SUP 0.95 #QF 0.95)
&rst
ixpk= 278, nxpk= 0, iat=1994,2005, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 123 SER QB 124 MET HN 4.14 (#peak 283 #SUP 0.99 #QF 0.77)
&rst
ixpk= 283, nxpk= 0, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1998,1999,
&end
#
# 123 SER QB 124 MET QG 5.13 (#peak 679 #SUP 0.78 #QF 0.48)
&rst
ixpk= 679, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1998,1999,
igr2=2012,2013,
&end
#
# 124 MET HB2 125 THR HN 4.54 (#peak 294 #SUP 0.70 #QF 0.70)
&rst
ixpk= 294, nxpk= 0, iat=2009,2022, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 124 MET HB3 125 THR HN 4.54 (#peak 886 #SUP 1.00)
&rst
ixpk= 886, nxpk= 0, iat=2010,2022, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 124 MET HN 124 MET HB2 3.87 (#peak 286 #SUP 0.77 #QF 0.77)
&rst
ixpk= 286, nxpk= 0, iat=2005,2009, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 124 MET HN 124 MET HB3 3.87 (#peak 285 #SUP 0.99 #QF 0.99)
&rst
ixpk= 285, nxpk= 0, iat=2005,2010, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 124 MET HN 124 MET QB 3.33 (#peak 286)
&rst
ixpk= 286, nxpk= 0, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2=2009,2010,
&end
#
# 124 MET HN 124 MET QE 4.62 (#peak 686 #SUP 0.86 #QF 0.86)
&rst
ixpk= 686, nxpk= 0, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=2016,2017,2018,
&end
#
# 124 MET HN 124 MET QG 3.60 (#peak 284 #SUP 0.96 #QF 0.96)
&rst
ixpk= 284, nxpk= 0, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2012,2013,
&end
#
# 124 MET HN 125 THR HN 3.31 (#peak 289 #SUP 0.99 #QF 0.99)
&rst
ixpk= 289, nxpk= 0, iat=2005,2022, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 124 MET HN 125 THR QG2 4.42 (#peak 287 #SUP 0.89 #QF 0.89)
&rst
ixpk= 287, nxpk= 0, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=2028,2029,2030,
&end
#
# 124 MET QB 124 MET QE 4.06 (#peak 695)
&rst
ixpk= 695, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=2009,2010,
igr2=2016,2017,2018,
&end
#
# 124 MET QB 125 THR QG2 4.04 (#peak 2332)
&rst
ixpk= 2332, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=2009,2010,
igr2=2028,2029,2030,
&end
#
# 124 MET QG 124 MET QE 2.94 (#peak 694 #SUP 0.98 #QF 0.98)
&rst
ixpk= 694, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2012,2013,
igr2=2016,2017,2018,
&end
#
# 124 MET QG 125 THR HN 4.68 (#peak 293 #SUP 1.00)
&rst
ixpk= 293, nxpk= 0, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=2012,2013,
&end
#
# 124 MET QG 125 THR QG2 4.58 (#peak 704 #SUP 0.89 #QF 0.89)
&rst
ixpk= 704, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2012,2013,
igr2=2028,2029,2030,
&end
#
# 125 THR HA 125 THR QG2 3.95 (#peak 700 #SUP 1.00)
&rst
ixpk= 700, nxpk= 0, iat=2024, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2028,2029,2030,
&end
#
# 125 THR HN 125 THR HG1 4.41 (#peak 887 #SUP 1.00 #QF 0.99)
&rst
ixpk= 887, nxpk= 0, iat=2022,2032, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 125 THR HN 125 THR QG2 3.66 (#peak 295 #SUP 0.96 #QF 0.96)
&rst
ixpk= 295, nxpk= 0, iat=2022, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=2028,2029,2030,
&end
#
# 125 THR HN 126 GLY HN 4.30 (#peak 288 #SUP 0.88 #QF 0.88)
&rst
ixpk= 288, nxpk= 0, iat=2022,2036, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 129 GLN HN 129 GLN QG 4.77 (#peak 878 #SUP 0.97 #QF 0.97)
&rst
ixpk= 878, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=2074,2075,
&end
Contact the webmaster for help, if required. Sunday, May 5, 2024 6:20:50 AM GMT (wattos1)