NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
492495 |
2keb   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 1 MET HA 1 MET QG 4.24 (#peak 1 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 1, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
rk2=0.0, rk3=32.0, ir6=1, ialtd=0,
igr2= 11, 12,
&end
#
# 1 MET HA 1 MET QE 3.86 (#peak 2 #SUP 0.59 #QF 0.59
)
&rst
ixpk= 2, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 15, 16, 17,
&end
#
# 1 MET QG 1 MET QE 4.08 (#peak 5 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 11, 12,
igr2= 15, 16, 17,
&end
#
# 2 SER HA 3 ALA QB 4.49 (#peak 7 #SUP 0.6 #QF 0.6
)
&rst
ixpk= 7, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 36, 37, 38,
&end
#
# 3 ALA QB 31 CYS HB2 4.50 (#peak 2001 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 2001, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 36, 37, 38,
&end
#
# 3 ALA QB 32 VAL H 4.87 (#peak 2003 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 2003, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 36, 37, 38,
&end
#
# 4 SER H 4 SER HB3 4.34 (#peak 19 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 19, nxpk= 0, iat= 42, 47, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 4 SER H 4 SER HB2 4.34 (#peak 20 #SUP 0.85 #QF 0.85
)
&rst
ixpk= 20, nxpk= 0, iat= 42, 46, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 5 ALA HA 8 LEU H 4.56 (#peak 25 #SUP 0.87 #QF 0.59
)
&rst
ixpk= 25, nxpk= 0, iat= 55, 97, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 20 GLU QG 22 ALA QB 3.72 (#peak 29 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 29, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 287, 288,
igr2= 314, 315, 316,
&end
#
# 22 ALA QB 23 LEU H 3.85 (#peak 31 #SUP 1
)
&rst
ixpk= 31, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 314, 315, 316,
&end
#
# 5 ALA H 5 ALA QB 3.48 (#peak 33 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 33, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 57, 58, 59,
&end
#
# 6 GLN HA 9 ALA QB 3.71 (#peak 37 #SUP 0.41 #QF 0.41
)
&rst
ixpk= 37, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 120, 121, 122,
&end
#
# 6 GLN HA 6 GLN QG 3.63 (#peak 40 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 40, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 70, 71,
&end
#
# 13 GLN HA 13 GLN HG2 4.16 (#peak 42 #SUP 0.99 #QF 0.98
)
&rst
ixpk= 42, nxpk= 0, iat= 177, 182, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 8 LEU H 8 LEU HB2 4.36 (#peak 47 #SUP 1 #QF 0.97
)
&rst
ixpk= 47, nxpk= 0, iat= 97, 101, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 8 LEU QQD 38 GLU HA 3.82 (#peak 51 #SUP 0.99 #QF 0.94
)
&rst
ixpk= 51, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 106, 107, 108, 110, 111, 112,
&end
#
# 9 ALA HA 12 LEU QD2 4.23 (#peak 52 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 52, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 169, 170, 171,
&end
#
# 9 ALA HA 12 LEU QB 4.24 (#peak 54 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 54, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 160, 161,
&end
#
# 9 ALA QB 10 GLU H 3.60 (#peak 59 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 59, nxpk= 0, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 120, 121, 122,
&end
#
# 9 ALA H 9 ALA QB 3.22 (#peak 60 #SUP 1
)
&rst
ixpk= 60, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 120, 121, 122,
&end
#
# 10 GLU H 10 GLU QG 4.23 (#peak 61 #SUP 1
)
&rst
ixpk= 61, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 133, 134,
&end
#
# 11 GLU HA 11 GLU QG 4.42 (#peak 62 #SUP 1
)
&rst
ixpk= 62, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 148, 149,
&end
#
# 11 GLU HA 14 ILE HB 4.28 (#peak 64 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 64, nxpk= 0, iat= 143, 196, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 11 GLU HA 14 ILE QD1 4.81 (#peak 65 #SUP 0.86 #QF 0.67
)
&rst
ixpk= 65, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 205, 206, 207,
&end
#
# 11 GLU HA 42 VAL QG1 5.38 (#peak 65 #SUP 0.86 #QF 0.67
)
&rst
ixpk= 65, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 627, 628, 629,
&end
#
# 11 GLU HA 14 ILE H 4.59 (#peak 68 #SUP 0.64 #QF 0.64
)
&rst
ixpk= 68, nxpk= 0, iat= 143, 192, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 12 LEU HA 17 LEU HB2 3.91 (#peak 74 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 74, nxpk= 0, iat= 158, 242, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 12 LEU HA 12 LEU QD2 3.35 (#peak 80 #SUP 1
)
&rst
ixpk= 80, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 169, 170, 171,
&end
#
# 12 LEU QD2 17 LEU HB2 3.35 (#peak 82 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 82, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 169, 170, 171,
&end
#
# 12 LEU QD1 19 CYS H 4.81 (#peak 84 #SUP 0.95 #QF 0.87
)
&rst
ixpk= 84, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 165, 166, 167,
&end
#
# 10 GLU H 12 LEU QD1 5.78 (#peak 85 #SUP 0.99 #QF 0.52
)
&rst
ixpk= 85, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 165, 166, 167,
&end
#
# 12 LEU QD1 13 GLN H 5.78 (#peak 85 #SUP 0.99 #QF 0.52
)
&rst
ixpk= 85, nxpk= 0, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 165, 166, 167,
&end
#
# 12 LEU QD1 19 CYS HB3 4.67 (#peak 87 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 87, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 165, 166, 167,
&end
#
# 12 LEU QB 12 LEU QD1 3.60 (#peak 88 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 88, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 160, 161,
igr2= 165, 166, 167,
&end
#
# 12 LEU QD1 42 VAL QG2 4.04 (#peak 91 #SUP 0.75 #QF 0.75
)
&rst
ixpk= 91, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 165, 166, 167,
igr2= 631, 632, 633,
&end
#
# 13 GLN HA 13 GLN HG3 4.16 (#peak 92 #SUP 1
)
&rst
ixpk= 92, nxpk= 0, iat= 177, 183, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 14 ILE HA 14 ILE QD1 4.54 (#peak 97 #SUP 1
)
&rst
ixpk= 97, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 205, 206, 207,
&end
#
# 14 ILE HA 14 ILE HG12 4.26 (#peak 98 #SUP 1
)
&rst
ixpk= 98, nxpk= 0, iat= 194, 202, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 14 ILE HA 14 ILE HG13 4.26 (#peak 121 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 121, nxpk= 0, iat= 194, 203, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 15 PHE HB3 46 ILE QD1 4.80 (#peak 2006 #SUP 1
)
&rst
ixpk= 2006, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 691, 692, 693,
&end
#
# 15 PHE HB2 17 LEU QD1 5.63 (#peak 129 #SUP 0.98 #QF 0.7
)
&rst
ixpk= 129, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2= 247, 248, 249,
&end
#
# 17 LEU H 17 LEU QD2 4.45 (#peak 149 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 149, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 251, 252, 253,
&end
#
# 17 LEU HB3 17 LEU QD2 3.93 (#peak 155 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 155, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 251, 252, 253,
&end
#
# 74 LEU HG 77 ALA H 5.75 (#peak 156 #SUP 0.95 #QF 0.88
)
&rst
ixpk= 156, nxpk= 0, iat=1131,1176, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 17 LEU HA 17 LEU HG 3.77 (#peak 157 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 157, nxpk= 0, iat= 240, 245, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 18 ASP HB2 19 CYS H 4.77 (#peak 161 #SUP 1
)
&rst
ixpk= 161, nxpk= 0, iat= 261, 269, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 18 ASP H 18 ASP HB3 4.19 (#peak 163 #SUP 1
)
&rst
ixpk= 163, nxpk= 0, iat= 257, 262, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 19 CYS HB3 24 ILE QD1 4.71 (#peak 2009 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 2009, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 352, 353, 354,
&end
#
# 19 CYS HB2 24 ILE QD1 4.71 (#peak 2010 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 2010, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 352, 353, 354,
&end
#
# 19 CYS HB3 20 GLU H 4.67 (#peak 174 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 174, nxpk= 0, iat= 274, 280, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 20 GLU HA 20 GLU QG 3.66 (#peak 188 #SUP 1
)
&rst
ixpk= 188, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 287, 288,
&end
#
# 20 GLU QG 23 LEU H 4.13 (#peak 189 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 189, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 287, 288,
&end
#
# 20 GLU H 20 GLU QG 3.86 (#peak 190 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 190, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 287, 288,
&end
#
# 20 GLU QG 21 GLU H 3.98 (#peak 191 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 191, nxpk= 0, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 287, 288,
&end
#
# 21 GLU HA 21 GLU QG 3.59 (#peak 196 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 196, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 302, 303,
&end
#
# 32 VAL QG1 33 GLN HA 4.13 (#peak 197 #SUP 0.42 #QF 0.42
)
&rst
ixpk= 197, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 481, 482, 483,
&end
#
# 22 ALA HA 25 GLU QB 4.06 (#peak 201 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 201, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 362, 363,
&end
#
# 20 GLU QG 22 ALA HA 5.12 (#peak 202 #SUP 0.95 #QF 0.8
)
&rst
ixpk= 202, nxpk= 0, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 287, 288,
&end
#
# 22 ALA HA 25 GLU H 4.67 (#peak 203 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 203, nxpk= 0, iat= 312, 358, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 5 ALA QB 7 GLN H 4.76 (#peak 205 #SUP 0.52 #QF 0.52
)
&rst
ixpk= 205, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 57, 58, 59,
&end
#
# 5 ALA QB 24 ILE QG2 3.12 (#peak 2070 #SUP 0.99 #QF 0.91
)
&rst
ixpk= 2070, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 57, 58, 59,
igr2= 345, 346, 347,
&end
#
# 30 LEU HB3 41 MET QE 3.13 (#peak 2011 #SUP 0.57 #QF 0.57
)
&rst
ixpk= 2011, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 615, 616, 617,
&end
#
# 8 LEU HB2 8 LEU QQD 3.56 (#peak 217 #SUP 0.43 #QF 0.43
)
&rst
ixpk= 217, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 106, 107, 108, 110, 111, 112,
&end
#
# 62 LEU HB3 62 LEU QQD 4.29 (#peak 218 #SUP 0.99 #QF 0.86
)
&rst
ixpk= 218, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 34 TYR HB2 70 LEU HG 5.78 (#peak 222 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 222, nxpk= 0, iat= 512,1055, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 30 LEU HB3 70 LEU HG 4.39 (#peak 2013 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 2013, nxpk= 0, iat= 450,1055, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 23 LEU QD1 58 THR HA 3.72 (#peak 2014 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 2014, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 329, 330, 331,
&end
#
# 23 LEU HA 23 LEU QD2 3.32 (#peak 233 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 233, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 333, 334, 335,
&end
#
# 23 LEU QD2 58 THR HA 4.12 (#peak 2015 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 2015, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 333, 334, 335,
&end
#
# 23 LEU H 23 LEU QD2 4.32 (#peak 235 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 235, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 333, 334, 335,
&end
#
# 23 LEU HB3 23 LEU QD2 3.99 (#peak 236 #SUP 0.56 #QF 0.56
)
&rst
ixpk= 236, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 333, 334, 335,
&end
#
# 24 ILE HA 27 LEU QD2 3.72 (#peak 240 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 240, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 408, 409, 410,
&end
#
# 24 ILE HA 24 ILE HG12 4.43 (#peak 241 #SUP 0.75 #QF 0.75
)
&rst
ixpk= 241, nxpk= 0, iat= 341, 349, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 24 ILE HA 26 LYS H 5.17 (#peak 243 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 243, nxpk= 0, iat= 341, 373, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 24 ILE HA 28 VAL H 5.25 (#peak 247 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 247, nxpk= 0, iat= 341, 414, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 24 ILE QG2 28 VAL H 4.61 (#peak 255 #SUP 0.75 #QF 0.75
)
&rst
ixpk= 255, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 345, 346, 347,
&end
#
# 24 ILE QG2 25 GLU H 4.26 (#peak 257 #SUP 1
)
&rst
ixpk= 257, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 345, 346, 347,
&end
#
# 5 ALA HA 24 ILE QG2 3.60 (#peak 2017 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 2017, nxpk= 0, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 345, 346, 347,
&end
#
# 24 ILE HA 24 ILE HG13 4.43 (#peak 266 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 266, nxpk= 0, iat= 341, 350, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 9 ALA QB 24 ILE QD1 3.42 (#peak 272 #SUP 1 #QF 0.83
)
&rst
ixpk= 272, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 120, 121, 122,
igr2= 352, 353, 354,
&end
#
# 24 ILE HB 24 ILE QD1 3.62 (#peak 273 #SUP 1
)
&rst
ixpk= 273, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 352, 353, 354,
&end
#
# 9 ALA HA 24 ILE QD1 4.25 (#peak 2020 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 2020, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 352, 353, 354,
&end
#
# 21 GLU HA 24 ILE QD1 3.92 (#peak 276 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 276, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 352, 353, 354,
&end
#
# 24 ILE H 24 ILE QD1 4.44 (#peak 279 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 279, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 352, 353, 354,
&end
#
# 9 ALA H 24 ILE QD1 5.30 (#peak 2022 #SUP 0.97 #QF 0.9
)
&rst
ixpk= 2022, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 352, 353, 354,
&end
#
# 19 CYS H 24 ILE QD1 5.73 (#peak 2022 #SUP 0.97 #QF 0.9
)
&rst
ixpk= 2022, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr2= 352, 353, 354,
&end
#
# 5 ALA QB 25 GLU HA 4.87 (#peak 285 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 285, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 57, 58, 59,
&end
#
# 25 GLU HA 28 VAL HB 3.83 (#peak 286 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 286, nxpk= 0, iat= 360, 418, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 25 GLU HA 29 GLU H 5.10 (#peak 288 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 288, nxpk= 0, iat= 360, 430, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 25 GLU H 25 GLU HG2 4.10 (#peak 293 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 293, nxpk= 0, iat= 358, 365, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 7 GLN HA 7 GLN QG 3.63 (#peak 296 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 296, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 87, 88,
&end
#
# 30 LEU HA 34 TYR QE 5.03 (#peak 301 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 301, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 518, 523,
&end
#
# 30 LEU HA 30 LEU HG 4.21 (#peak 304 #SUP 0.97 #QF 0.9
)
&rst
ixpk= 304, nxpk= 0, iat= 447, 452, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 26 LYS HA 29 GLU QB 3.95 (#peak 305 #SUP 0.98 #QF 0.53
)
&rst
ixpk= 305, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 434, 435,
&end
#
# 26 LYS HA 26 LYS HD3 4.17 (#peak 322 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 322, nxpk= 0, iat= 375, 384, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 62 LEU HA 65 PHE HB2 4.29 (#peak 334 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 334, nxpk= 0, iat= 919, 965, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 62 LEU HA 65 PHE HB3 3.94 (#peak 335 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 335, nxpk= 0, iat= 919, 966, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 27 LEU HA 27 LEU HG 3.94 (#peak 336 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 336, nxpk= 0, iat= 397, 402, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 8 LEU QQD 27 LEU HB3 3.87 (#peak 346 #SUP 1 #QF 0.64
)
&rst
ixpk= 346, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 106, 107, 108, 110, 111, 112,
&end
#
# 27 LEU HA 27 LEU QD1 3.47 (#peak 362 #SUP 0.99 #QF 0.97
)
&rst
ixpk= 362, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 404, 405, 406,
&end
#
# 62 LEU HA 62 LEU QQD 3.70 (#peak 362 #SUP 0.99 #QF 0.97
)
&rst
ixpk= 362, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 23 LEU H 23 LEU QD1 4.25 (#peak 365 #SUP 0.79 #QF 0.79
)
&rst
ixpk= 365, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 329, 330, 331,
&end
#
# 20 GLU H 23 LEU QD1 3.71 (#peak 366 #SUP 0.37 #QF 0.37
)
&rst
ixpk= 366, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 329, 330, 331,
&end
#
# 27 LEU QD1 45 LEU QD1 3.35 (#peak 368 #SUP 0.28 #QF 0.28
)
&rst
ixpk= 368, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 404, 405, 406,
igr2= 668, 669, 670,
&end
#
# 24 ILE H 27 LEU QD2 5.10 (#peak 372 #SUP 0.68 #QF 0.68
)
&rst
ixpk= 372, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 408, 409, 410,
&end
#
# 28 VAL HA 28 VAL QG1 3.44 (#peak 373 #SUP 1 #QF 0.98
)
&rst
ixpk= 373, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 420, 421, 422,
&end
#
# 3 ALA QB 28 VAL HA 4.39 (#peak 2023 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 2023, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 36, 37, 38,
&end
#
# 5 ALA QB 28 VAL QG2 3.39 (#peak 385 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 385, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 57, 58, 59,
igr2= 424, 425, 426,
&end
#
# 4 SER HA 28 VAL QG1 4.83 (#peak 386 #SUP 0.41 #QF 0.41
)
&rst
ixpk= 386, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 420, 421, 422,
&end
#
# 28 VAL QG1 29 GLU H 4.25 (#peak 387 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 387, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 420, 421, 422,
&end
#
# 28 VAL QG2 29 GLU H 4.45 (#peak 389 #SUP 0.66 #QF 0.66
)
&rst
ixpk= 389, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 424, 425, 426,
&end
#
# 28 VAL HA 28 VAL QG2 3.45 (#peak 391 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 391, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 424, 425, 426,
&end
#
# 28 VAL QG1 29 GLU HA 4.49 (#peak 395 #SUP 0.86 #QF 0.81
)
&rst
ixpk= 395, nxpk= 0, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 420, 421, 422,
&end
#
# 29 GLU HA 32 VAL QG1 5.03 (#peak 395 #SUP 0.86 #QF 0.81
)
&rst
ixpk= 395, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 481, 482, 483,
&end
#
# 68 GLU H 68 GLU QG 4.54 (#peak 398 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 398, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1020,1021,
&end
#
# 48 PHE QE 68 GLU QG 5.34 (#peak 399 #SUP 0.94 #QF 0.72
)
&rst
ixpk= 399, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 717, 721,
igr2=1020,1021,
&end
#
# 68 GLU QG 69 PHE H 5.63 (#peak 399 #SUP 0.94 #QF 0.72
)
&rst
ixpk= 399, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1020,1021,
&end
#
# 10 GLU HA 10 GLU QG 4.35 (#peak 400 #SUP 1 #QF 0.6
)
&rst
ixpk= 400, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 133, 134,
&end
#
# 68 GLU HA 68 GLU QG 4.05 (#peak 401 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 401, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1020,1021,
&end
#
# 29 GLU QB 29 GLU QG 2.79 (#peak 402 #SUP 1
)
&rst
ixpk= 402, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 434, 435,
igr2= 437, 438,
&end
#
# 30 LEU HB3 70 LEU QQD 4.88 (#peak 2025 #SUP 0.96 #QF 0.87
)
&rst
ixpk= 2025, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=1057,1058,1059,1061,1062,1063,
&end
#
# 30 LEU HB2 31 CYS HA 5.22 (#peak 426 #SUP 0.99 #QF 0.83
)
&rst
ixpk= 426, nxpk= 0, iat= 449, 466, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 31 CYS HB3 32 VAL QG2 5.41 (#peak 437 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 437, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 485, 486, 487,
&end
#
# 28 VAL QG1 31 CYS HB3 5.78 (#peak 438 #SUP 0.93 #QF 0.89
)
&rst
ixpk= 438, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 420, 421, 422,
&end
#
# 31 CYS HB2 32 VAL QG2 5.41 (#peak 440 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 440, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 485, 486, 487,
&end
#
# 28 VAL QG1 31 CYS HB2 5.78 (#peak 441 #SUP 0.83 #QF 0.83
)
&rst
ixpk= 441, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 420, 421, 422,
&end
#
# 29 GLU HA 32 VAL HB 4.34 (#peak 451 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 451, nxpk= 0, iat= 432, 479, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 32 VAL H 32 VAL QG2 3.35 (#peak 455 #SUP 1
)
&rst
ixpk= 455, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 485, 486, 487,
&end
#
# 32 VAL QG2 33 GLN H 4.21 (#peak 456 #SUP 1
)
&rst
ixpk= 456, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 485, 486, 487,
&end
#
# 31 CYS H 32 VAL QG2 4.45 (#peak 457 #SUP 0.77 #QF 0.77
)
&rst
ixpk= 457, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 485, 486, 487,
&end
#
# 3 ALA H 32 VAL QG2 4.68 (#peak 458 #SUP 0.83 #QF 0.83
)
&rst
ixpk= 458, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 485, 486, 487,
&end
#
# 2 SER HA 32 VAL QG2 5.78 (#peak 460 #SUP 0.97 #QF 0.85
)
&rst
ixpk= 460, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 485, 486, 487,
&end
#
# 3 ALA HA 32 VAL QG2 5.78 (#peak 460 #SUP 0.97 #QF 0.85
)
&rst
ixpk= 460, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 485, 486, 487,
&end
#
# 29 GLU HA 32 VAL QG2 3.92 (#peak 461 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 461, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 485, 486, 487,
&end
#
# 33 GLN HA 35 GLY H 4.90 (#peak 464 #SUP 0.54 #QF 0.54
)
&rst
ixpk= 464, nxpk= 0, iat= 493, 529, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 34 TYR HB3 74 LEU QQD 5.20 (#peak 2032 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 2032, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2=1133,1134,1135,1137,1138,1139,
&end
#
# 34 TYR HB3 70 LEU QQD 5.17 (#peak 485 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 485, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1057,1058,1059,1061,1062,1063,
&end
#
# 36 GLN HA 37 ASN H 3.28 (#peak 490 #SUP 0.82 #QF 0.82
)
&rst
ixpk= 490, nxpk= 0, iat= 538, 553, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 34 TYR QD 36 GLN HB2 5.42 (#peak 494 #SUP 0.34 #QF 0.34
)
&rst
ixpk= 494, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 516, 525,
&end
#
# 34 TYR QD 36 GLN HB3 5.42 (#peak 495 #SUP 0.39 #QF 0.39
)
&rst
ixpk= 495, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 516, 525,
&end
#
# 37 ASN HB2 38 GLU H 4.74 (#peak 504 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 504, nxpk= 0, iat= 557, 567, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 37 ASN HB3 38 GLU H 4.74 (#peak 505 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 505, nxpk= 0, iat= 558, 567, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 8 LEU QQD 38 GLU HG3 5.48 (#peak 534 #SUP 0.59 #QF 0.59
)
&rst
ixpk= 534, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 106, 107, 108, 110, 111, 112,
&end
#
# 8 LEU HA 8 LEU QQD 3.62 (#peak 536 #SUP 1
)
&rst
ixpk= 536, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 106, 107, 108, 110, 111, 112,
&end
#
# 8 LEU HA 8 LEU HG 3.89 (#peak 537 #SUP 1 #QF 0.97
)
&rst
ixpk= 537, nxpk= 0, iat= 99, 104, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 39 GLU HA 42 VAL HB 3.14 (#peak 538 #SUP 0.56 #QF 0.56
)
&rst
ixpk= 538, nxpk= 0, iat= 584, 625, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 11 GLU QG 39 GLU HA 4.31 (#peak 539 #SUP 0.58 #QF 0.58
)
&rst
ixpk= 539, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 148, 149,
&end
#
# 60 GLU QG 61 ILE H 4.58 (#peak 544 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 544, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 890, 891,
&end
#
# 41 MET HA 44 GLU HB2 4.14 (#peak 549 #SUP 0.53 #QF 0.53
)
&rst
ixpk= 549, nxpk= 0, iat= 606, 648, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 41 MET H 41 MET QE 4.48 (#peak 562 #SUP 0.78 #QF 0.78
)
&rst
ixpk= 562, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 615, 616, 617,
&end
#
# 31 CYS H 41 MET QE 4.05 (#peak 563 #SUP 1
)
&rst
ixpk= 563, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 615, 616, 617,
&end
#
# 34 TYR H 41 MET QE 4.66 (#peak 564 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 564, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 615, 616, 617,
&end
#
# 32 VAL H 41 MET QE 5.64 (#peak 565 #SUP 0.97 #QF 0.21
)
&rst
ixpk= 565, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2= 615, 616, 617,
&end
#
# 35 GLY H 41 MET QE 5.78 (#peak 565 #SUP 0.97 #QF 0.21
)
&rst
ixpk= 565, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 615, 616, 617,
&end
#
# 34 TYR QD 41 MET QE 4.01 (#peak 2038 #SUP 1
)
&rst
ixpk= 2038, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 516, 525,
igr2= 615, 616, 617,
&end
#
# 41 MET QE 65 PHE QE 4.98 (#peak 2039 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 2039, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 615, 616, 617,
igr2= 971, 975,
&end
#
# 34 TYR QE 41 MET QE 5.03 (#peak 2040 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 2040, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 518, 523,
igr2= 615, 616, 617,
&end
#
# 41 MET HG3 41 MET QE 3.59 (#peak 570 #SUP 1
)
&rst
ixpk= 570, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 615, 616, 617,
&end
#
# 36 GLN HA 41 MET QE 5.16 (#peak 571 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 571, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 615, 616, 617,
&end
#
# 41 MET HA 41 MET QE 4.36 (#peak 572 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 572, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 615, 616, 617,
&end
#
# 30 LEU HA 41 MET QE 4.44 (#peak 573 #SUP 1
)
&rst
ixpk= 573, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 615, 616, 617,
&end
#
# 34 TYR HB3 41 MET QE 4.00 (#peak 2028 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 2028, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 615, 616, 617,
&end
#
# 34 TYR HB2 41 MET QE 3.66 (#peak 2042 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 2042, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 615, 616, 617,
&end
#
# 30 LEU HB2 41 MET QE 3.22 (#peak 2043 #SUP 0.87 #QF 0.69
)
&rst
ixpk= 2043, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 615, 616, 617,
&end
#
# 41 MET HG2 41 MET QE 3.59 (#peak 2043 #SUP 0.87 #QF 0.69
)
&rst
ixpk= 2043, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 615, 616, 617,
&end
#
# 41 MET QE 70 LEU QQD 3.30 (#peak 2044 #SUP 0.88 #QF 0.35
)
&rst
ixpk= 2044, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 615, 616, 617,
igr2=1057,1058,1059,1061,1062,1063,
&end
#
# 30 LEU QQD 41 MET QE 3.55 (#peak 578 #SUP 0.56 #QF 0.56
)
&rst
ixpk= 578, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 454, 455, 456, 458, 459, 460,
igr2= 615, 616, 617,
&end
#
# 42 VAL HA 45 LEU QD2 4.66 (#peak 583 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 583, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 672, 673, 674,
&end
#
# 42 VAL HA 42 VAL QG1 3.69 (#peak 584 #SUP 1 #QF 0.95
)
&rst
ixpk= 584, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 627, 628, 629,
&end
#
# 42 VAL HA 45 LEU HB2 4.18 (#peak 584 #SUP 1 #QF 0.95
)
&rst
ixpk= 584, nxpk= 0, iat= 623, 663, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 42 VAL HA 45 LEU HB3 4.18 (#peak 585 #SUP 1
)
&rst
ixpk= 585, nxpk= 0, iat= 623, 664, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 12 LEU HA 42 VAL QG1 4.17 (#peak 589 #SUP 1
)
&rst
ixpk= 589, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 627, 628, 629,
&end
#
# 39 GLU HA 42 VAL QG1 4.76 (#peak 590 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 590, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 627, 628, 629,
&end
#
# 42 VAL QG1 43 GLY H 4.44 (#peak 592 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 592, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 627, 628, 629,
&end
#
# 12 LEU H 42 VAL QG1 4.88 (#peak 594 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 594, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 627, 628, 629,
&end
#
# 42 VAL HA 42 VAL QG2 3.36 (#peak 597 #SUP 0.78 #QF 0.78
)
&rst
ixpk= 597, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 631, 632, 633,
&end
#
# 15 PHE QD 42 VAL QG2 5.71 (#peak 599 #SUP 0.56 #QF 0.56
)
&rst
ixpk= 599, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 219, 227,
igr2= 631, 632, 633,
&end
#
# 8 LEU HG 42 VAL QG2 3.81 (#peak 603 #SUP 0.78 #QF 0.28
)
&rst
ixpk= 603, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 631, 632, 633,
&end
#
# 45 LEU HA 48 PHE HB2 5.12 (#peak 625 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 625, nxpk= 0, iat= 661, 711, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 45 LEU HA 48 PHE HB3 4.85 (#peak 626 #SUP 0.76 #QF 0.76
)
&rst
ixpk= 626, nxpk= 0, iat= 661, 712, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 45 LEU HA 65 PHE HZ 5.30 (#peak 627 #SUP 0.68 #QF 0.68
)
&rst
ixpk= 627, nxpk= 0, iat= 661, 973, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 45 LEU HA 45 LEU QD2 4.77 (#peak 648 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 648, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 672, 673, 674,
&end
#
# 45 LEU HB3 45 LEU QD2 3.75 (#peak 649 #SUP 1
)
&rst
ixpk= 649, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 672, 673, 674,
&end
#
# 27 LEU QD1 45 LEU QD2 3.22 (#peak 651 #SUP 0.92 #QF 0.24
)
&rst
ixpk= 651, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 404, 405, 406,
igr2= 672, 673, 674,
&end
#
# 45 LEU HB2 45 LEU QD2 3.75 (#peak 651 #SUP 0.92 #QF 0.24
)
&rst
ixpk= 651, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 672, 673, 674,
&end
#
# 17 LEU HG 45 LEU QD2 5.78 (#peak 653 #SUP 0.52 #QF 0.39
)
&rst
ixpk= 653, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 672, 673, 674,
&end
#
# 45 LEU QD2 57 LEU HG 5.78 (#peak 653 #SUP 0.52 #QF 0.39
)
&rst
ixpk= 653, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 672, 673, 674,
&end
#
# 45 LEU H 45 LEU QD1 4.80 (#peak 654 #SUP 1
)
&rst
ixpk= 654, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 668, 669, 670,
&end
#
# 45 LEU QD1 48 PHE H 5.22 (#peak 654 #SUP 1
)
&rst
ixpk= 654, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 668, 669, 670,
&end
#
# 45 LEU QD1 65 PHE HZ 4.76 (#peak 2049 #SUP 0.35 #QF 0.35
)
&rst
ixpk= 2049, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 668, 669, 670,
&end
#
# 45 LEU QD1 62 LEU HA 5.61 (#peak 2051 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 2051, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 668, 669, 670,
&end
#
# 45 LEU HA 45 LEU QD1 3.65 (#peak 659 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 659, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 668, 669, 670,
&end
#
# 45 LEU QD1 48 PHE HB3 4.22 (#peak 660 #SUP 0.93 #QF 0.9
)
&rst
ixpk= 660, nxpk= 0, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 668, 669, 670,
&end
#
# 45 LEU QD1 68 GLU QG 4.88 (#peak 662 #SUP 0.26 #QF 0.26
)
&rst
ixpk= 662, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 668, 669, 670,
igr2=1020,1021,
&end
#
# 46 ILE HA 48 PHE H 5.24 (#peak 672 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 672, nxpk= 0, iat= 680, 707, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 17 LEU QD1 46 ILE HA 5.76 (#peak 677 #SUP 0.96 #QF 0.69
)
&rst
ixpk= 677, nxpk= 0, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 247, 248, 249,
&end
#
# 46 ILE H 46 ILE QG2 4.29 (#peak 687 #SUP 1
)
&rst
ixpk= 687, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 684, 685, 686,
&end
#
# 46 ILE QG2 48 PHE H 5.27 (#peak 688 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 688, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 684, 685, 686,
&end
#
# 46 ILE QG2 51 SER H 5.78 (#peak 689 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 689, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 684, 685, 686,
&end
#
# 46 ILE QG2 47 ALA H 4.41 (#peak 690 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 690, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 684, 685, 686,
&end
#
# 46 ILE QG2 50 THR HB 5.04 (#peak 694 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 694, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 684, 685, 686,
&end
#
# 46 ILE QG2 47 ALA HA 4.57 (#peak 695 #SUP 0.74 #QF 0.74
)
&rst
ixpk= 695, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 684, 685, 686,
&end
#
# 46 ILE QG2 50 THR QG2 4.21 (#peak 697 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 697, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 684, 685, 686,
igr2= 744, 745, 746,
&end
#
# 46 ILE H 46 ILE QD1 4.63 (#peak 707 #SUP 1
)
&rst
ixpk= 707, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 691, 692, 693,
&end
#
# 12 LEU HA 46 ILE QD1 5.47 (#peak 709 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 709, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 691, 692, 693,
&end
#
# 15 PHE HB2 46 ILE QD1 4.80 (#peak 2055 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 2055, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 691, 692, 693,
&end
#
# 46 ILE HB 46 ILE QD1 4.03 (#peak 711 #SUP 1
)
&rst
ixpk= 711, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 691, 692, 693,
&end
#
# 17 LEU QD1 46 ILE QD1 3.81 (#peak 713 #SUP 0.89 #QF 0.55
)
&rst
ixpk= 713, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 247, 248, 249,
igr2= 691, 692, 693,
&end
#
# 17 LEU QD2 46 ILE QD1 3.81 (#peak 713 #SUP 0.89 #QF 0.55
)
&rst
ixpk= 713, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 251, 252, 253,
igr2= 691, 692, 693,
&end
#
# 46 ILE QG2 46 ILE QD1 3.21 (#peak 714 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 714, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 684, 685, 686,
igr2= 691, 692, 693,
&end
#
# 50 THR HA 53 HIS H 5.12 (#peak 737 #SUP 0.65 #QF 0.65
)
&rst
ixpk= 737, nxpk= 0, iat= 740, 777, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 50 THR HA 53 HIS HA 4.14 (#peak 739 #SUP 0.98 #QF 0.97
)
&rst
ixpk= 739, nxpk= 0, iat= 740, 779, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 50 THR QG2 53 HIS H 5.21 (#peak 748 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 748, nxpk= 0, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 744, 745, 746,
&end
#
# 52 THR HB 54 LYS QE 4.78 (#peak 761 #SUP 0.46 #QF 0.46
)
&rst
ixpk= 761, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 807, 808,
&end
#
# 72 LYS HA 72 LYS QD 4.29 (#peak 770 #SUP 0.95 #QF 0.87
)
&rst
ixpk= 770, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1088,1089,
&end
#
# 74 LEU QQD 76 LYS HA 4.89 (#peak 771 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 771, nxpk= 0, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1133,1134,1135,1137,1138,1139,
&end
#
# 54 LYS HB3 61 ILE QD1 5.16 (#peak 790 #SUP 0.65 #QF 0.65
)
&rst
ixpk= 790, nxpk= 0, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 911, 912, 913,
&end
#
# 54 LYS HB2 61 ILE QD1 5.16 (#peak 791 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 791, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 911, 912, 913,
&end
#
# 54 LYS HA 54 LYS QD 4.47 (#peak 797 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 797, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 804, 805,
&end
#
# 53 HIS H 54 LYS QE 4.97 (#peak 802 #SUP 0.64 #QF 0.64
)
&rst
ixpk= 802, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 807, 808,
&end
#
# 55 VAL HA 55 VAL QQG 3.30 (#peak 815 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 815, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 56 GLY HA2 57 LEU HG 5.78 (#peak 824 #SUP 0.9 #QF 0.82
)
&rst
ixpk= 824, nxpk= 0, iat= 834, 846, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 56 GLY HA2 57 LEU QQD 5.25 (#peak 2057 #SUP 0.71 #QF 0.71
)
&rst
ixpk= 2057, nxpk= 0, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr2= 848, 849, 850, 852, 853, 854,
&end
#
# 56 GLY HA3 57 LEU QQD 5.25 (#peak 826 #SUP 0.83 #QF 0.83
)
&rst
ixpk= 826, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr2= 848, 849, 850, 852, 853, 854,
&end
#
# 56 GLY HA3 57 LEU HG 5.78 (#peak 827 #SUP 0.87 #QF 0.81
)
&rst
ixpk= 827, nxpk= 0, iat= 835, 846, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 57 LEU HA 61 ILE HB 4.38 (#peak 831 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 831, nxpk= 0, iat= 841, 902, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 57 LEU HA 57 LEU QQD 3.74 (#peak 833 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 833, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 848, 849, 850, 852, 853, 854,
&end
#
# 57 LEU H 57 LEU HG 5.02 (#peak 839 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 839, nxpk= 0, iat= 839, 846, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 58 THR HA 58 THR QG2 3.45 (#peak 841 #SUP 1 #QF 0.79
)
&rst
ixpk= 841, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 864, 865, 866,
&end
#
# 58 THR H 58 THR QG2 4.24 (#peak 842 #SUP 1
)
&rst
ixpk= 842, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 864, 865, 866,
&end
#
# 60 GLU HA 60 GLU QG 3.61 (#peak 859 #SUP 1
)
&rst
ixpk= 859, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 890, 891,
&end
#
# 20 GLU QG 23 LEU HG 4.03 (#peak 860 #SUP 0.69 #QF 0.69
)
&rst
ixpk= 860, nxpk= 0, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 287, 288,
&end
#
# 48 PHE HB3 61 ILE QG2 4.45 (#peak 874 #SUP 0.24 #QF 0.24
)
&rst
ixpk= 874, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 904, 905, 906,
&end
#
# 57 LEU HA 61 ILE QG2 4.22 (#peak 876 #SUP 1
)
&rst
ixpk= 876, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 904, 905, 906,
&end
#
# 58 THR H 61 ILE QG2 4.23 (#peak 877 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 877, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 904, 905, 906,
&end
#
# 61 ILE QG2 62 LEU QQD 4.00 (#peak 883 #SUP 0.35 #QF 0.35
)
&rst
ixpk= 883, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 904, 905, 906,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 57 LEU HG 61 ILE QG2 3.91 (#peak 885 #SUP 0.23 #QF 0.23
)
&rst
ixpk= 885, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 904, 905, 906,
&end
#
# 61 ILE HB 61 ILE QD1 3.23 (#peak 886 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 886, nxpk= 0, iat= 902, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 911, 912, 913,
&end
#
# 61 ILE HA 61 ILE QD1 4.23 (#peak 887 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 887, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 911, 912, 913,
&end
#
# 57 LEU HA 61 ILE QD1 3.93 (#peak 888 #SUP 1
)
&rst
ixpk= 888, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 911, 912, 913,
&end
#
# 58 THR HA 61 ILE QD1 5.53 (#peak 890 #SUP 0.99 #QF 0.93
)
&rst
ixpk= 890, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2= 911, 912, 913,
&end
#
# 58 THR HB 61 ILE QD1 5.78 (#peak 890 #SUP 0.99 #QF 0.93
)
&rst
ixpk= 890, nxpk= 0, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 911, 912, 913,
&end
#
# 57 LEU H 61 ILE QD1 5.10 (#peak 892 #SUP 0.7 #QF 0.7
)
&rst
ixpk= 892, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 911, 912, 913,
&end
#
# 12 LEU QB 17 LEU HB2 3.71 (#peak 896 #SUP 0.97 #QF 0.82
)
&rst
ixpk= 896, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 160, 161,
&end
#
# 27 LEU H 62 LEU HG 5.67 (#peak 907 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 907, nxpk= 0, iat= 395, 924, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 26 LYS HG2 62 LEU HG 3.64 (#peak 908 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 908, nxpk= 0, iat= 380, 924, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 64 SER HA 65 PHE HA 5.16 (#peak 919 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 919, nxpk= 0, iat= 952, 963, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 65 PHE HA 65 PHE QE 5.27 (#peak 923 #SUP 0.58 #QF 0.58
)
&rst
ixpk= 923, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 971, 975,
&end
#
# 62 LEU HA 65 PHE HA 5.54 (#peak 925 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 925, nxpk= 0, iat= 919, 963, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 62 LEU QQD 65 PHE HB3 5.30 (#peak 931 #SUP 1 #QF 0.92
)
&rst
ixpk= 931, nxpk= 0, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 926, 927, 928, 930, 931, 932,
&end
#
# 66 GLU HA 70 LEU HB3 4.74 (#peak 940 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 940, nxpk= 0, iat= 983,1053, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 67 HIS QB 68 GLU H 4.39 (#peak 964 #SUP 1
)
&rst
ixpk= 964, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1000,1001,
&end
#
# 67 HIS QB 68 GLU QG 5.69 (#peak 967 #SUP 0.25 #QF 0.25
)
&rst
ixpk= 967, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1=1000,1001,
igr2=1020,1021,
&end
#
# 11 GLU QB 42 VAL QG1 3.97 (#peak 972 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 972, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 145, 146,
igr2= 627, 628, 629,
&end
#
# 69 PHE HB2 70 LEU H 4.81 (#peak 974 #SUP 1
)
&rst
ixpk= 974, nxpk= 0, iat=1032,1048, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 15 PHE H 15 PHE HB2 4.29 (#peak 975 #SUP 0.7 #QF 0.7
)
&rst
ixpk= 975, nxpk= 0, iat= 211, 215, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 66 GLU HA 70 LEU HB2 4.74 (#peak 982 #SUP 1 #QF 0.88
)
&rst
ixpk= 982, nxpk= 0, iat= 983,1052, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 70 LEU H 70 LEU HG 4.42 (#peak 986 #SUP 0.82 #QF 0.82
)
&rst
ixpk= 986, nxpk= 0, iat=1048,1055, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 66 GLU HA 70 LEU HG 3.99 (#peak 990 #SUP 1 #QF 0.92
)
&rst
ixpk= 990, nxpk= 0, iat= 983,1055, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 70 LEU HA 70 LEU HG 4.42 (#peak 990 #SUP 1 #QF 0.92
)
&rst
ixpk= 990, nxpk= 0, iat=1050,1055, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 70 LEU HA 70 LEU QQD 3.55 (#peak 993 #SUP 0.95 #QF 0.21
)
&rst
ixpk= 993, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1057,1058,1059,1061,1062,1063,
&end
#
# 34 TYR HB2 70 LEU QQD 4.46 (#peak 999 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 999, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=1057,1058,1059,1061,1062,1063,
&end
#
# 70 LEU QQD 74 LEU QQD 3.75 (#peak 1002 #SUP 0.58 #QF 0.58
)
&rst
ixpk= 1002, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1057,1058,1059,1061,1062,1063,
igr2=1133,1134,1135,1137,1138,1139,
&end
#
# 71 SER HA 71 SER QB 3.17 (#peak 1006 #SUP 0.7 #QF 0.7
)
&rst
ixpk= 1006, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2=1071,1072,
&end
#
# 60 GLU HA 63 ASN QB 3.78 (#peak 1007 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 1007, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 940, 941,
&end
#
# 72 LYS HA 72 LYS HG2 4.31 (#peak 1009 #SUP 0.49 #QF 0.49
)
&rst
ixpk= 1009, nxpk= 0, iat=1080,1085, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 72 LYS H 72 LYS HG2 4.85 (#peak 1021 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1021, nxpk= 0, iat=1078,1085, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 72 LYS HA 72 LYS HG3 4.31 (#peak 1024 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 1024, nxpk= 0, iat=1080,1086, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 14 ILE QG2 14 ILE HG12 4.41 (#peak 1028 #SUP 0.7 #QF 0.7
)
&rst
ixpk= 1028, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 198, 199, 200,
&end
#
# 68 GLU HA 72 LYS QE 4.52 (#peak 1031 #SUP 0.75 #QF 0.75
)
&rst
ixpk= 1031, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1091,1092,
&end
#
# 74 LEU H 74 LEU HG 5.19 (#peak 1060 #SUP 0.75 #QF 0.61
)
&rst
ixpk= 1060, nxpk= 0, iat=1124,1131, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 74 LEU HG 76 LYS QB 2.99 (#peak 1061 #SUP 0.51 #QF 0.51
)
&rst
ixpk= 1061, nxpk= 0, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1158,1159,
&end
#
# 74 LEU HA 74 LEU QQD 3.51 (#peak 1063 #SUP 0.9 #QF 0.22
)
&rst
ixpk= 1063, nxpk= 0, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1133,1134,1135,1137,1138,1139,
&end
#
# 75 SER HA 75 SER QB 3.14 (#peak 1069 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 1069, nxpk= 0, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2=1147,1148,
&end
#
# 76 LYS QG 76 LYS QE 4.03 (#peak 1077 #SUP 0.98 #QF 0.87
)
&rst
ixpk= 1077, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1161,1162,
igr2=1167,1168,
&end
#
# 77 ALA QB 78 ARG H 4.48 (#peak 1082 #SUP 1
)
&rst
ixpk= 1082, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1180,1181,1182,
&end
#
# 7 GLN H 7 GLN HB3 3.63 (#peak 1091 #SUP 0.3 #QF 0.3
)
&rst
ixpk= 1091, nxpk= 0, iat= 80, 85, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 11 GLU QG 42 VAL QG1 5.20 (#peak 1095 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 1095, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 148, 149,
igr2= 627, 628, 629,
&end
#
# 44 GLU H 44 GLU QG 3.93 (#peak 1112 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 1112, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 651, 652,
&end
#
# 44 GLU QG 70 LEU QQD 5.18 (#peak 1113 #SUP 0.3 #QF 0.3
)
&rst
ixpk= 1113, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 651, 652,
igr2=1057,1058,1059,1061,1062,1063,
&end
#
# 61 ILE QG2 65 PHE HB2 5.40 (#peak 1117 #SUP 0.6 #QF 0.6
)
&rst
ixpk= 1117, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 904, 905, 906,
&end
#
# 63 ASN H 63 ASN QB 3.41 (#peak 14 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 14, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 940, 941,
&end
#
# 47 ALA H 47 ALA QB 3.68 (#peak 24 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 24, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 701, 702, 703,
&end
#
# 7 GLN H 8 LEU H 3.80 (#peak 59 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 59, nxpk= 0, iat= 80, 97, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 11 GLU H 11 GLU QB 3.84 (#peak 64 #SUP 1 #QF 0.61
)
&rst
ixpk= 64, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 145, 146,
&end
#
# 63 ASN QB 64 SER H 3.75 (#peak 75 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 75, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 940, 941,
&end
#
# 70 LEU H 70 LEU QQD 3.95 (#peak 77 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 77, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1057,1058,1059,1061,1062,1063,
&end
#
# 5 ALA H 28 VAL QG1 5.08 (#peak 110 #SUP 1 #QF 0.25
)
&rst
ixpk= 110, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 420, 421, 422,
&end
#
# 5 ALA H 28 VAL QG2 5.38 (#peak 110 #SUP 1 #QF 0.25
)
&rst
ixpk= 110, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 424, 425, 426,
&end
#
# 21 GLU H 21 GLU QG 4.66 (#peak 123 #SUP 0.79 #QF 0.59
)
&rst
ixpk= 123, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 302, 303,
&end
#
# 21 GLU H 21 GLU HB2 3.95 (#peak 124 #SUP 0.91 #QF 0.59
)
&rst
ixpk= 124, nxpk= 0, iat= 295, 299, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 4 SER H 5 ALA H 5.16 (#peak 125 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 125, nxpk= 0, iat= 42, 53, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 2 SER HA 4 SER H 5.16 (#peak 126 #SUP 1 #QF 0.86
)
&rst
ixpk= 126, nxpk= 0, iat= 23, 42, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 20 GLU HA 22 ALA H 4.89 (#peak 131 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 131, nxpk= 0, iat= 282, 310, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 20 GLU QG 22 ALA H 4.25 (#peak 134 #SUP 0.93 #QF 0.87
)
&rst
ixpk= 134, nxpk= 0, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 287, 288,
&end
#
# 20 GLU HB3 22 ALA H 4.52 (#peak 135 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 135, nxpk= 0, iat= 285, 310, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 65 PHE H 65 PHE HB3 4.22 (#peak 142 #SUP 1 #QF 0.98
)
&rst
ixpk= 142, nxpk= 0, iat= 961, 966, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 38 GLU H 39 GLU H 4.47 (#peak 145 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 145, nxpk= 0, iat= 567, 582, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 38 GLU HB3 39 GLU H 4.56 (#peak 148 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 148, nxpk= 0, iat= 572, 582, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 38 GLU HB2 39 GLU H 4.56 (#peak 150 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 150, nxpk= 0, iat= 571, 582, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 41 MET H 41 MET HG3 4.98 (#peak 151 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 151, nxpk= 0, iat= 604, 612, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 8 LEU QQD 41 MET H 5.06 (#peak 153 #SUP 0.56 #QF 0.56
)
&rst
ixpk= 153, nxpk= 0, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 106, 107, 108, 110, 111, 112,
&end
#
# 41 MET H 42 VAL H 4.20 (#peak 154 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 154, nxpk= 0, iat= 604, 621, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 41 MET H 41 MET HB2 3.93 (#peak 157 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 157, nxpk= 0, iat= 604, 608, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 41 MET H 41 MET HB3 3.93 (#peak 158 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 158, nxpk= 0, iat= 604, 609, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 46 ILE H 46 ILE HB 3.65 (#peak 163 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 163, nxpk= 0, iat= 678, 682, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 46 ILE H 46 ILE HG12 4.39 (#peak 164 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 164, nxpk= 0, iat= 678, 688, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 33 GLN H 34 TYR H 4.08 (#peak 167 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 167, nxpk= 0, iat= 491, 508, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 30 LEU HA 33 GLN H 4.61 (#peak 169 #SUP 1
)
&rst
ixpk= 169, nxpk= 0, iat= 447, 491, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 29 GLU HA 33 GLN H 5.41 (#peak 170 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 170, nxpk= 0, iat= 432, 491, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 33 GLN H 33 GLN HB2 3.98 (#peak 174 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 174, nxpk= 0, iat= 491, 495, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 30 LEU QQD 33 GLN H 5.12 (#peak 176 #SUP 1
)
&rst
ixpk= 176, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 454, 455, 456, 458, 459, 460,
&end
#
# 39 GLU H 40 GLY H 3.84 (#peak 179 #SUP 0.67 #QF 0.67
)
&rst
ixpk= 179, nxpk= 0, iat= 582, 597, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 39 GLU HB2 40 GLY H 4.85 (#peak 182 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 182, nxpk= 0, iat= 586, 597, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 49 CYS H 50 THR H 4.40 (#peak 183 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 183, nxpk= 0, iat= 727, 738, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 42 VAL HB 43 GLY H 4.15 (#peak 193 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 193, nxpk= 0, iat= 625, 637, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 16 GLY H 17 LEU H 3.76 (#peak 196 #SUP 0.75 #QF 0.44
)
&rst
ixpk= 196, nxpk= 0, iat= 231, 238, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 15 PHE H 16 GLY H 3.98 (#peak 197 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 197, nxpk= 0, iat= 211, 231, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 69 PHE H 71 SER H 4.78 (#peak 204 #SUP 0.42 #QF 0.42
)
&rst
ixpk= 204, nxpk= 0, iat=1028,1067, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 71 SER H 71 SER QB 3.84 (#peak 207 #SUP 0.85 #QF 0.85
)
&rst
ixpk= 207, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1071,1072,
&end
#
# 66 GLU HA 71 SER H 4.99 (#peak 208 #SUP 0.96 #QF 0.55
)
&rst
ixpk= 208, nxpk= 0, iat= 983,1067, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 70 LEU HB2 71 SER H 4.32 (#peak 210 #SUP 1 #QF 0.74
)
&rst
ixpk= 210, nxpk= 0, iat=1052,1067, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 34 TYR H 34 TYR HB2 4.07 (#peak 213 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 213, nxpk= 0, iat= 508, 512, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 33 GLN HB3 34 TYR H 4.40 (#peak 214 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 214, nxpk= 0, iat= 496, 508, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 34 TYR H 34 TYR HB3 4.31 (#peak 219 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 219, nxpk= 0, iat= 508, 513, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 33 GLN HB2 34 TYR H 4.40 (#peak 220 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 220, nxpk= 0, iat= 495, 508, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 30 LEU QQD 34 TYR H 5.03 (#peak 221 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 221, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 454, 455, 456, 458, 459, 460,
&end
#
# 51 SER QB 52 THR H 4.79 (#peak 230 #SUP 1
)
&rst
ixpk= 230, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 756, 757,
&end
#
# 34 TYR H 35 GLY H 3.81 (#peak 233 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 233, nxpk= 0, iat= 508, 529, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 34 TYR HB2 35 GLY H 4.77 (#peak 237 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 237, nxpk= 0, iat= 512, 529, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 57 LEU QQD 58 THR H 4.39 (#peak 245 #SUP 0.85 #QF 0.85
)
&rst
ixpk= 245, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 848, 849, 850, 852, 853, 854,
&end
#
# 20 GLU HB3 23 LEU H 4.85 (#peak 249 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 249, nxpk= 0, iat= 285, 320, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 23 LEU H 23 LEU HG 4.23 (#peak 251 #SUP 1
)
&rst
ixpk= 251, nxpk= 0, iat= 320, 327, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 12 LEU HA 15 PHE H 4.55 (#peak 258 #SUP 0.72 #QF 0.72
)
&rst
ixpk= 258, nxpk= 0, iat= 158, 211, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 15 PHE H 15 PHE HB3 4.29 (#peak 259 #SUP 1
)
&rst
ixpk= 259, nxpk= 0, iat= 211, 216, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 14 ILE HB 15 PHE H 4.46 (#peak 261 #SUP 1
)
&rst
ixpk= 261, nxpk= 0, iat= 196, 211, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 14 ILE QD1 15 PHE H 5.07 (#peak 263 #SUP 0.9 #QF 0.85
)
&rst
ixpk= 263, nxpk= 0, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 205, 206, 207,
&end
#
# 23 LEU HA 26 LYS H 4.15 (#peak 274 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 274, nxpk= 0, iat= 322, 373, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 25 GLU QB 26 LYS H 3.76 (#peak 276 #SUP 0.82 #QF 0.3
)
&rst
ixpk= 276, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 362, 363,
&end
#
# 26 LYS H 26 LYS HB3 3.91 (#peak 276 #SUP 0.82 #QF 0.3
)
&rst
ixpk= 276, nxpk= 0, iat= 373, 378, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 26 LYS H 26 LYS HG2 5.02 (#peak 277 #SUP 0.65 #QF 0.65
)
&rst
ixpk= 277, nxpk= 0, iat= 373, 380, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 26 LYS H 62 LEU HG 5.70 (#peak 278 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 278, nxpk= 0, iat= 373, 924, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 26 LYS H 27 LEU QD2 4.79 (#peak 279 #SUP 0.59 #QF 0.59
)
&rst
ixpk= 279, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 408, 409, 410,
&end
#
# 72 LYS HB3 73 ARG H 4.63 (#peak 284 #SUP 0.99 #QF 0.56
)
&rst
ixpk= 284, nxpk= 0, iat=1083,1100, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 73 ARG H 73 ARG HB2 4.39 (#peak 285 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 285, nxpk= 0, iat=1100,1104, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 76 LYS QB 77 ALA H 5.07 (#peak 289 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 289, nxpk= 0, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1158,1159,
&end
#
# 77 ALA H 78 ARG H 4.28 (#peak 291 #SUP 0.92 #QF 0.38
)
&rst
ixpk= 291, nxpk= 0, iat=1176,1186, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 78 ARG H 78 ARG QB 4.35 (#peak 293 #SUP 1
)
&rst
ixpk= 293, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1190,1191,
&end
#
# 3 ALA H 4 SER H 4.87 (#peak 305 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 305, nxpk= 0, iat= 32, 42, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 2 SER QB 3 ALA H 4.40 (#peak 306 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 306, nxpk= 0, iat= -1, 32, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 25, 26,
&end
#
# 75 SER QB 76 LYS H 4.39 (#peak 311 #SUP 0.57 #QF 0.57
)
&rst
ixpk= 311, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1147,1148,
&end
#
# 74 LEU HG 76 LYS H 3.68 (#peak 312 #SUP 0.65 #QF 0.65
)
&rst
ixpk= 312, nxpk= 0, iat=1131,1154, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 76 LYS H 76 LYS QG 5.07 (#peak 313 #SUP 0.81 #QF 0.64
)
&rst
ixpk= 313, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1161,1162,
&end
#
# 76 LYS H 77 ALA QB 5.61 (#peak 313 #SUP 0.81 #QF 0.64
)
&rst
ixpk= 313, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1180,1181,1182,
&end
#
# 74 LEU QQD 76 LYS H 4.90 (#peak 314 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 314, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1133,1134,1135,1137,1138,1139,
&end
#
# 45 LEU H 65 PHE HZ 4.90 (#peak 315 #SUP 1
)
&rst
ixpk= 315, nxpk= 0, iat= 659, 973, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 42 VAL HA 45 LEU H 4.39 (#peak 316 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 316, nxpk= 0, iat= 623, 659, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 45 LEU H 45 LEU HB2 3.89 (#peak 318 #SUP 1
)
&rst
ixpk= 318, nxpk= 0, iat= 659, 663, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 44 GLU H 45 LEU H 3.96 (#peak 321 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 321, nxpk= 0, iat= 644, 659, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 44 GLU HB2 45 LEU H 4.23 (#peak 323 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 323, nxpk= 0, iat= 648, 659, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 44 GLU HB3 45 LEU H 4.71 (#peak 324 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 324, nxpk= 0, iat= 649, 659, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 45 LEU H 45 LEU HB3 3.89 (#peak 325 #SUP 1
)
&rst
ixpk= 325, nxpk= 0, iat= 659, 664, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 45 LEU H 45 LEU HG 5.30 (#peak 326 #SUP 0.69 #QF 0.6
)
&rst
ixpk= 326, nxpk= 0, iat= 659, 666, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 20 GLU H 20 GLU HB2 4.10 (#peak 333 #SUP 1
)
&rst
ixpk= 333, nxpk= 0, iat= 280, 284, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 17 LEU HA 18 ASP H 3.22 (#peak 338 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 338, nxpk= 0, iat= 240, 257, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 17 LEU HB2 18 ASP H 4.58 (#peak 340 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 340, nxpk= 0, iat= 242, 257, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 17 LEU HB3 18 ASP H 4.33 (#peak 341 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 341, nxpk= 0, iat= 243, 257, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 17 LEU QD1 18 ASP H 5.68 (#peak 342 #SUP 1 #QF 0.99
)
&rst
ixpk= 342, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 247, 248, 249,
&end
#
# 17 LEU QD2 18 ASP H 5.68 (#peak 342 #SUP 1 #QF 0.99
)
&rst
ixpk= 342, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 251, 252, 253,
&end
#
# 59 SER QB 60 GLU H 4.36 (#peak 350 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 350, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 876, 877,
&end
#
# 1 MET H 1 MET QG 4.73 (#peak 354 #SUP 1
)
&rst
ixpk= 354, nxpk= 0, iat= 2, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 11, 12,
&end
#
# 44 GLU H 44 GLU HB2 3.62 (#peak 364 #SUP 0.96 #QF 0.89
)
&rst
ixpk= 364, nxpk= 0, iat= 644, 648, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 44 GLU H 44 GLU HB3 4.29 (#peak 365 #SUP 1
)
&rst
ixpk= 365, nxpk= 0, iat= 644, 649, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 13 GLN QB 14 ILE H 4.19 (#peak 368 #SUP 0.71 #QF 0.71
)
&rst
ixpk= 368, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 179, 180,
&end
#
# 14 ILE H 14 ILE HG13 4.36 (#peak 370 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 370, nxpk= 0, iat= 192, 203, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 14 ILE H 14 ILE QD1 4.65 (#peak 371 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 371, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 205, 206, 207,
&end
#
# 14 ILE H 15 PHE H 3.96 (#peak 374 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 374, nxpk= 0, iat= 192, 211, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 61 ILE H 61 ILE QG1 4.36 (#peak 386 #SUP 0.63 #QF 0.63
)
&rst
ixpk= 386, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 908, 909,
&end
#
# 28 VAL H 29 GLU H 3.93 (#peak 389 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 389, nxpk= 0, iat= 414, 430, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 25 GLU HA 28 VAL H 4.34 (#peak 391 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 391, nxpk= 0, iat= 360, 414, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 27 LEU HB3 28 VAL H 4.36 (#peak 394 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 394, nxpk= 0, iat= 400, 414, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 27 LEU HB2 28 VAL H 4.36 (#peak 395 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 395, nxpk= 0, iat= 399, 414, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 12 LEU HA 17 LEU H 4.10 (#peak 397 #SUP 0.93 #QF 0.68
)
&rst
ixpk= 397, nxpk= 0, iat= 158, 238, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 17 LEU H 17 LEU HB3 4.38 (#peak 399 #SUP 1
)
&rst
ixpk= 399, nxpk= 0, iat= 238, 243, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 21 GLU HA 24 ILE H 4.40 (#peak 402 #SUP 1
)
&rst
ixpk= 402, nxpk= 0, iat= 297, 339, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 24 ILE H 24 ILE HB 3.56 (#peak 404 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 404, nxpk= 0, iat= 339, 343, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 23 LEU HB3 24 ILE H 4.52 (#peak 405 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 405, nxpk= 0, iat= 325, 339, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 24 ILE H 24 ILE HG12 4.02 (#peak 406 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 406, nxpk= 0, iat= 339, 349, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 24 ILE H 24 ILE HG13 4.02 (#peak 408 #SUP 0.71 #QF 0.71
)
&rst
ixpk= 408, nxpk= 0, iat= 339, 350, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 26 LYS HA 29 GLU H 4.39 (#peak 411 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 411, nxpk= 0, iat= 375, 430, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 74 LEU H 74 LEU QB 3.74 (#peak 418 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 418, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1128,1129,
&end
#
# 7 GLN H 9 ALA H 4.23 (#peak 420 #SUP 0.27 #QF 0.27
)
&rst
ixpk= 420, nxpk= 0, iat= 80, 116, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 7 GLN H 7 GLN QG 4.31 (#peak 422 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 422, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 87, 88,
&end
#
# 7 GLN H 7 GLN HB2 3.63 (#peak 423 #SUP 0.73 #QF 0.73
)
&rst
ixpk= 423, nxpk= 0, iat= 80, 84, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 31 CYS HB2 32 VAL H 4.55 (#peak 429 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 429, nxpk= 0, iat= 468, 475, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 32 VAL H 32 VAL HB 3.60 (#peak 430 #SUP 1
)
&rst
ixpk= 430, nxpk= 0, iat= 475, 479, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 32 VAL H 32 VAL QG1 4.17 (#peak 433 #SUP 0.68 #QF 0.68
)
&rst
ixpk= 433, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 481, 482, 483,
&end
#
# 51 SER H 51 SER QB 3.80 (#peak 437 #SUP 1
)
&rst
ixpk= 437, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 756, 757,
&end
#
# 67 HIS H 67 HIS QB 3.70 (#peak 443 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 443, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1000,1001,
&end
#
# 66 GLU HB3 67 HIS H 4.12 (#peak 445 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 445, nxpk= 0, iat= 986, 996, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 1 MET QE 2 SER H 4.58 (#peak 448 #SUP 0.66 #QF 0.66
)
&rst
ixpk= 448, nxpk= 0, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 15, 16, 17,
&end
#
# 6 GLN H 7 GLN H 3.76 (#peak 453 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 453, nxpk= 0, iat= 63, 80, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 6 GLN H 6 GLN QG 4.06 (#peak 457 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 457, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 70, 71,
&end
#
# 6 GLN H 24 ILE QG2 5.78 (#peak 460 #SUP 0.99 #QF 0.86
)
&rst
ixpk= 460, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 345, 346, 347,
&end
#
# 6 GLN H 28 VAL QG2 5.78 (#peak 460 #SUP 0.99 #QF 0.86
)
&rst
ixpk= 460, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 424, 425, 426,
&end
#
# 23 LEU HA 25 GLU H 5.24 (#peak 461 #SUP 0.93 #QF 0.79
)
&rst
ixpk= 461, nxpk= 0, iat= 322, 358, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 25 GLU H 25 GLU QB 3.35 (#peak 462 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 462, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 362, 363,
&end
#
# 22 ALA QB 25 GLU H 5.53 (#peak 463 #SUP 0.61 #QF 0.61
)
&rst
ixpk= 463, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 314, 315, 316,
&end
#
# 25 GLU H 25 GLU HG3 4.10 (#peak 469 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 469, nxpk= 0, iat= 358, 366, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 13 GLN H 14 ILE H 3.42 (#peak 470 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 470, nxpk= 0, iat= 175, 192, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 13 GLN H 13 GLN HG2 4.86 (#peak 471 #SUP 0.95 #QF 0.93
)
&rst
ixpk= 471, nxpk= 0, iat= 175, 182, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 13 GLN H 13 GLN QB 3.29 (#peak 472 #SUP 0.98 #QF 0.66
)
&rst
ixpk= 472, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 179, 180,
&end
#
# 12 LEU QB 13 GLN H 3.97 (#peak 473 #SUP 0.75 #QF 0.75
)
&rst
ixpk= 473, nxpk= 0, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 160, 161,
&end
#
# 12 LEU QD2 13 GLN H 5.06 (#peak 474 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 474, nxpk= 0, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 169, 170, 171,
&end
#
# 69 PHE HB3 70 LEU H 4.47 (#peak 478 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 478, nxpk= 0, iat=1033,1048, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 69 PHE H 70 LEU H 3.78 (#peak 484 #SUP 0.99 #QF 0.98
)
&rst
ixpk= 484, nxpk= 0, iat=1028,1048, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 25 GLU HA 27 LEU H 4.85 (#peak 485 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 485, nxpk= 0, iat= 360, 395, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 24 ILE HA 27 LEU H 4.44 (#peak 486 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 486, nxpk= 0, iat= 341, 395, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 27 LEU H 27 LEU HB3 3.97 (#peak 487 #SUP 0.7 #QF 0.7
)
&rst
ixpk= 487, nxpk= 0, iat= 395, 400, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 27 LEU H 27 LEU HG 4.45 (#peak 488 #SUP 1
)
&rst
ixpk= 488, nxpk= 0, iat= 395, 402, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 27 LEU H 27 LEU HB2 3.97 (#peak 489 #SUP 1
)
&rst
ixpk= 489, nxpk= 0, iat= 395, 399, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 8 LEU QQD 27 LEU H 4.21 (#peak 490 #SUP 0.98 #QF 0.49
)
&rst
ixpk= 490, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 106, 107, 108, 110, 111, 112,
&end
#
# 27 LEU H 27 LEU QD1 4.44 (#peak 490 #SUP 0.98 #QF 0.49
)
&rst
ixpk= 490, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 404, 405, 406,
&end
#
# 48 PHE H 49 CYS H 4.29 (#peak 504 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 504, nxpk= 0, iat= 707, 727, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 48 PHE H 48 PHE QD 4.67 (#peak 505 #SUP 1
)
&rst
ixpk= 505, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 715, 723,
&end
#
# 54 LYS HA 55 VAL H 3.41 (#peak 506 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 506, nxpk= 0, iat= 796, 816, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 45 LEU HA 48 PHE H 4.62 (#peak 508 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 508, nxpk= 0, iat= 661, 707, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 54 LYS HB2 55 VAL H 5.03 (#peak 510 #SUP 0.77 #QF 0.56
)
&rst
ixpk= 510, nxpk= 0, iat= 798, 816, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 54 LYS QD 55 VAL H 5.48 (#peak 510 #SUP 0.77 #QF 0.56
)
&rst
ixpk= 510, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 804, 805,
&end
#
# 7 GLN QG 8 LEU H 4.47 (#peak 513 #SUP 0.62 #QF 0.62
)
&rst
ixpk= 513, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 87, 88,
&end
#
# 8 LEU H 8 LEU HB3 4.36 (#peak 515 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 515, nxpk= 0, iat= 97, 102, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 58 THR H 62 LEU H 4.95 (#peak 516 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 516, nxpk= 0, iat= 858, 917, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 57 LEU HA 62 LEU H 5.53 (#peak 517 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 517, nxpk= 0, iat= 841, 917, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 11 GLU H 11 GLU QG 4.02 (#peak 519 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 519, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 148, 149,
&end
#
# 61 ILE HB 62 LEU H 3.53 (#peak 520 #SUP 0.6 #QF 0.6
)
&rst
ixpk= 520, nxpk= 0, iat= 902, 917, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 62 LEU H 62 LEU HB2 3.99 (#peak 521 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 521, nxpk= 0, iat= 917, 921, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 11 GLU H 42 VAL QG2 4.62 (#peak 522 #SUP 0.75 #QF 0.39
)
&rst
ixpk= 522, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 631, 632, 633,
&end
#
# 57 LEU QQD 62 LEU H 5.32 (#peak 523 #SUP 0.92 #QF 0.75
)
&rst
ixpk= 523, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 848, 849, 850, 852, 853, 854,
&end
#
# 65 PHE HB2 66 GLU H 4.67 (#peak 527 #SUP 1
)
&rst
ixpk= 527, nxpk= 0, iat= 965, 981, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 66 GLU H 66 GLU HB2 4.05 (#peak 528 #SUP 0.99 #QF 0.98
)
&rst
ixpk= 528, nxpk= 0, iat= 981, 985, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 30 LEU QQD 66 GLU H 4.75 (#peak 529 #SUP 0.8 #QF 0.8
)
&rst
ixpk= 529, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 454, 455, 456, 458, 459, 460,
&end
#
# 27 LEU HA 30 LEU H 4.20 (#peak 534 #SUP 0.51 #QF 0.51
)
&rst
ixpk= 534, nxpk= 0, iat= 397, 445, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 29 GLU QB 30 LEU H 3.98 (#peak 535 #SUP 1 #QF 0.74
)
&rst
ixpk= 535, nxpk= 0, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 434, 435,
&end
#
# 30 LEU H 30 LEU HB2 4.13 (#peak 535 #SUP 1 #QF 0.74
)
&rst
ixpk= 535, nxpk= 0, iat= 445, 449, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 30 LEU H 30 LEU HG 3.57 (#peak 536 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 536, nxpk= 0, iat= 445, 452, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 30 LEU H 30 LEU HB3 4.22 (#peak 537 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 537, nxpk= 0, iat= 445, 450, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 30 LEU HB3 31 CYS H 4.36 (#peak 539 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 539, nxpk= 0, iat= 450, 464, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 31 CYS H 31 CYS HB3 4.17 (#peak 541 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 541, nxpk= 0, iat= 464, 469, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 31 CYS H 31 CYS HB2 4.17 (#peak 542 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 542, nxpk= 0, iat= 464, 468, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 31 CYS H 34 TYR HB2 5.19 (#peak 543 #SUP 0.76 #QF 0.76
)
&rst
ixpk= 543, nxpk= 0, iat= 464, 512, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 30 LEU QQD 31 CYS H 4.40 (#peak 544 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 544, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 454, 455, 456, 458, 459, 460,
&end
#
# 11 GLU QG 12 LEU H 4.94 (#peak 545 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 545, nxpk= 0, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 148, 149,
&end
#
# 18 ASP HB3 19 CYS H 4.77 (#peak 551 #SUP 0.96 #QF 0.47
)
&rst
ixpk= 551, nxpk= 0, iat= 262, 269, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 57 LEU H 57 LEU HB2 4.36 (#peak 554 #SUP 0.96 #QF 0.91
)
&rst
ixpk= 554, nxpk= 0, iat= 839, 843, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 57 LEU H 57 LEU QQD 4.24 (#peak 555 #SUP 0.75 #QF 0.75
)
&rst
ixpk= 555, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 848, 849, 850, 852, 853, 854,
&end
#
# 49 CYS HA 54 LYS H 4.81 (#peak 556 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 556, nxpk= 0, iat= 729, 794, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 54 LYS H 54 LYS HB3 4.07 (#peak 557 #SUP 0.64 #QF 0.64
)
&rst
ixpk= 557, nxpk= 0, iat= 794, 799, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 11 GLU H 12 LEU H 3.95 (#peak 558 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 558, nxpk= 0, iat= 141, 156, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 12 LEU H 12 LEU HG 3.76 (#peak 560 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 560, nxpk= 0, iat= 156, 163, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 12 LEU H 12 LEU QD2 4.10 (#peak 562 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 562, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 169, 170, 171,
&end
#
# 36 GLN H 36 GLN QG 4.39 (#peak 564 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 564, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 543, 544,
&end
#
# 31 CYS HA 36 GLN H 3.93 (#peak 566 #SUP 0.72 #QF 0.72
)
&rst
ixpk= 566, nxpk= 0, iat= 466, 536, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 39 GLU HA 42 VAL H 4.48 (#peak 568 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 568, nxpk= 0, iat= 584, 621, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 42 VAL H 42 VAL HB 3.60 (#peak 569 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 569, nxpk= 0, iat= 621, 625, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 8 LEU QQD 42 VAL H 4.52 (#peak 571 #SUP 0.95 #QF 0.32
)
&rst
ixpk= 571, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 106, 107, 108, 110, 111, 112,
&end
#
# 7 GLN QG 7 GLN HE21 4.10 (#peak 593 #SUP 0.53 #QF 0.53
)
&rst
ixpk= 593, nxpk= 0, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 87, 88,
&end
#
# 72 LYS H 72 LYS HB3 4.38 (#peak 605 #SUP 1
)
&rst
ixpk= 605, nxpk= 0, iat=1078,1083, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 72 LYS H 72 LYS HB2 4.38 (#peak 606 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 606, nxpk= 0, iat=1078,1082, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 72 LYS H 72 LYS HG3 4.85 (#peak 607 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 607, nxpk= 0, iat=1078,1086, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 12 LEU H 13 GLN H 3.89 (#peak 609 #SUP 0.67 #QF 0.67
)
&rst
ixpk= 609, nxpk= 0, iat= 156, 175, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 9 ALA H 10 GLU H 3.80 (#peak 613 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 613, nxpk= 0, iat= 116, 126, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 10 GLU H 11 GLU H 3.81 (#peak 614 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 614, nxpk= 0, iat= 126, 141, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 11 GLU QB 12 LEU H 3.83 (#peak 615 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 615, nxpk= 0, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 145, 146,
&end
#
# 12 LEU H 12 LEU QB 3.84 (#peak 616 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 616, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 160, 161,
&end
#
# 17 LEU H 17 LEU HB2 3.76 (#peak 618 #SUP 0.9 #QF 0.88
)
&rst
ixpk= 618, nxpk= 0, iat= 238, 242, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 17 LEU H 17 LEU QD1 4.45 (#peak 619 #SUP 1
)
&rst
ixpk= 619, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 247, 248, 249,
&end
#
# 62 LEU HA 66 GLU H 5.54 (#peak 625 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 625, nxpk= 0, iat= 919, 981, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 44 GLU HA 47 ALA H 4.96 (#peak 634 #SUP 0.31 #QF 0.31
)
&rst
ixpk= 634, nxpk= 0, iat= 646, 697, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 58 THR QG2 59 SER H 4.91 (#peak 13 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 13, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 864, 865, 866,
&end
#
# 23 LEU QD1 59 SER H 5.09 (#peak 14 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 14, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 329, 330, 331,
&end
#
# 23 LEU QD2 59 SER H 5.23 (#peak 15 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 15, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 333, 334, 335,
&end
#
# 45 LEU HB2 46 ILE H 4.48 (#peak 17 #SUP 1 #QF 0.21
)
&rst
ixpk= 17, nxpk= 0, iat= 663, 678, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 46 ILE H 46 ILE HG13 4.39 (#peak 18 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 18, nxpk= 0, iat= 678, 689, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 45 LEU QD2 46 ILE H 5.00 (#peak 20 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 20, nxpk= 0, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 672, 673, 674,
&end
#
# 12 LEU H 42 VAL QG2 4.73 (#peak 25 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 25, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 631, 632, 633,
&end
#
# 28 VAL H 28 VAL QG2 3.22 (#peak 26 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 26, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 424, 425, 426,
&end
#
# 30 LEU H 30 LEU QQD 3.83 (#peak 27 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 27, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 454, 455, 456, 458, 459, 460,
&end
#
# 8 LEU QQD 28 VAL H 3.99 (#peak 28 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 28, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 106, 107, 108, 110, 111, 112,
&end
#
# 45 LEU H 45 LEU QD2 4.68 (#peak 33 #SUP 0.97 #QF 0.96
)
&rst
ixpk= 33, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 672, 673, 674,
&end
#
# 9 ALA H 24 ILE QG2 4.24 (#peak 38 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 38, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 345, 346, 347,
&end
#
# 20 GLU HB2 21 GLU H 4.33 (#peak 39 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 39, nxpk= 0, iat= 284, 295, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 21 GLU H 21 GLU HB3 3.95 (#peak 43 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 43, nxpk= 0, iat= 295, 300, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 20 GLU HB2 22 ALA H 4.98 (#peak 44 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 44, nxpk= 0, iat= 284, 310, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 21 GLU HB2 22 ALA H 4.29 (#peak 45 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 45, nxpk= 0, iat= 299, 310, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 21 GLU HB3 22 ALA H 4.29 (#peak 46 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 46, nxpk= 0, iat= 300, 310, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 39 GLU H 39 GLU HB3 4.05 (#peak 49 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 49, nxpk= 0, iat= 582, 587, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 39 GLU H 39 GLU HB2 4.05 (#peak 50 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 50, nxpk= 0, iat= 582, 586, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 45 LEU HB3 46 ILE H 4.48 (#peak 52 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 52, nxpk= 0, iat= 664, 678, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 32 VAL HB 33 GLN H 3.87 (#peak 55 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 55, nxpk= 0, iat= 479, 491, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 33 GLN H 33 GLN HB3 3.98 (#peak 57 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 57, nxpk= 0, iat= 491, 496, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 20 GLU H 20 GLU HB3 4.00 (#peak 62 #SUP 0.78 #QF 0.78
)
&rst
ixpk= 62, nxpk= 0, iat= 280, 285, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 25 GLU QB 28 VAL H 5.29 (#peak 64 #SUP 0.84 #QF 0.37
)
&rst
ixpk= 64, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 362, 363,
&end
#
# 30 LEU HG 31 CYS H 5.58 (#peak 64 #SUP 0.84 #QF 0.37
)
&rst
ixpk= 64, nxpk= 0, iat= 452, 464, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 39 GLU HB3 40 GLY H 4.85 (#peak 65 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 65, nxpk= 0, iat= 587, 597, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 55 VAL H 55 VAL HB 4.04 (#peak 71 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 71, nxpk= 0, iat= 816, 820, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 36 GLN H 41 MET QE 5.09 (#peak 75 #SUP 0.78 #QF 0.78
)
&rst
ixpk= 75, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 615, 616, 617,
&end
#
# 36 GLN QG 37 ASN H 4.91 (#peak 80 #SUP 0.8 #QF 0.7
)
&rst
ixpk= 80, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 543, 544,
&end
#
# 47 ALA QB 48 PHE H 4.37 (#peak 86 #SUP 0.92 #QF 0.82
)
&rst
ixpk= 86, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 701, 702, 703,
&end
#
# 54 LYS HB3 55 VAL H 5.03 (#peak 86 #SUP 0.92 #QF 0.82
)
&rst
ixpk= 86, nxpk= 0, iat= 799, 816, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 57 LEU H 57 LEU HB3 4.36 (#peak 88 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 88, nxpk= 0, iat= 839, 844, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 58 THR QG2 60 GLU H 5.22 (#peak 94 #SUP 0.55 #QF 0.55
)
&rst
ixpk= 94, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 864, 865, 866,
&end
#
# 57 LEU H 58 THR QG2 4.67 (#peak 98 #SUP 0.83 #QF 0.83
)
&rst
ixpk= 98, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 864, 865, 866,
&end
#
# 48 PHE HB3 49 CYS H 4.63 (#peak 104 #SUP 0.94 #QF 0.6
)
&rst
ixpk= 104, nxpk= 0, iat= 712, 727, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 41 MET H 42 VAL HA 5.78 (#peak 109 #SUP 0.91 #QF 0.39
)
&rst
ixpk= 109, nxpk= 0, iat= 604, 623, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 42 VAL HA 46 ILE H 5.78 (#peak 109 #SUP 0.91 #QF 0.39
)
&rst
ixpk= 109, nxpk= 0, iat= 623, 678, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 65 PHE H 65 PHE HB2 3.82 (#peak 112 #SUP 0.77 #QF 0.77
)
&rst
ixpk= 112, nxpk= 0, iat= 961, 965, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 41 MET H 41 MET HG2 4.98 (#peak 114 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 114, nxpk= 0, iat= 604, 611, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 30 LEU HB2 31 CYS H 4.26 (#peak 117 #SUP 0.93 #QF 0.9
)
&rst
ixpk= 117, nxpk= 0, iat= 449, 464, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 28 VAL H 28 VAL HB 3.50 (#peak 121 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 121, nxpk= 0, iat= 414, 418, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 CYS HB2 50 THR H 4.74 (#peak 125 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 125, nxpk= 0, iat= 731, 738, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 48 PHE H 48 PHE HB3 3.95 (#peak 134 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 134, nxpk= 0, iat= 707, 712, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 48 PHE H 48 PHE HB2 3.78 (#peak 137 #SUP 0.89 #QF 0.23
)
&rst
ixpk= 137, nxpk= 0, iat= 707, 711, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 20 GLU HA 21 GLU H 3.19 (#peak 145 #SUP 0.86 #QF 0.83
)
&rst
ixpk= 145, nxpk= 0, iat= 282, 295, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 64 SER QB 65 PHE H 4.43 (#peak 150 #SUP 1 #QF 0.95
)
&rst
ixpk= 150, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 954, 955,
&end
#
# 62 LEU HA 65 PHE H 4.23 (#peak 151 #SUP 0.82 #QF 0.82
)
&rst
ixpk= 151, nxpk= 0, iat= 919, 961, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 19 CYS HA 20 GLU H 3.28 (#peak 158 #SUP 0.43 #QF 0.43
)
&rst
ixpk= 158, nxpk= 0, iat= 271, 280, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 18 ASP HA 19 CYS H 3.18 (#peak 161 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 161, nxpk= 0, iat= 259, 269, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 1 MET H 2 SER HA 4.34 (#peak 164 #SUP 0.35 #QF 0.35
)
&rst
ixpk= 164, nxpk= 0, iat= 2, 23, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 50 THR H 50 THR HB 3.78 (#peak 171 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 171, nxpk= 0, iat= 738, 742, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 38 GLU HA 41 MET H 5.53 (#peak 180 #SUP 0.85 #QF 0.74
)
&rst
ixpk= 180, nxpk= 0, iat= 569, 604, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 39 GLU HA 41 MET H 5.78 (#peak 180 #SUP 0.85 #QF 0.74
)
&rst
ixpk= 180, nxpk= 0, iat= 584, 604, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 6 GLN HA 8 LEU H 5.78 (#peak 193 #SUP 0.92 #QF 0.59
)
&rst
ixpk= 193, nxpk= 0, iat= 65, 97, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 50 THR HA 54 LYS H 5.78 (#peak 193 #SUP 0.92 #QF 0.59
)
&rst
ixpk= 193, nxpk= 0, iat= 740, 794, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 59 SER HA 63 ASN H 5.78 (#peak 193 #SUP 0.92 #QF 0.59
)
&rst
ixpk= 193, nxpk= 0, iat= 874, 936, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 9 ALA HA 12 LEU H 4.85 (#peak 195 #SUP 0.97 #QF 0.96
)
&rst
ixpk= 195, nxpk= 0, iat= 118, 156, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 2 SER H 2 SER QB 4.32 (#peak 198 #SUP 1 #QF 0.42
)
&rst
ixpk= 198, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 25, 26,
&end
#
# 65 PHE H 65 PHE QD 4.55 (#peak 210 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 210, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 969, 977,
&end
#
# 68 GLU H 69 PHE H 4.06 (#peak 213 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 213, nxpk= 0, iat=1013,1028, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 48 PHE QE 65 PHE H 4.52 (#peak 215 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 215, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 717, 721,
&end
#
# 48 PHE HZ 65 PHE H 5.42 (#peak 216 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 216, nxpk= 0, iat= 719, 961, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 33 GLN H 34 TYR QD 5.05 (#peak 217 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 217, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 516, 525,
&end
#
# 45 LEU H 65 PHE QE 5.04 (#peak 219 #SUP 1
)
&rst
ixpk= 219, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 971, 975,
&end
#
# 53 HIS H 54 LYS H 4.28 (#peak 221 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 221, nxpk= 0, iat= 777, 794, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 29 GLU H 30 LEU H 3.91 (#peak 222 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 222, nxpk= 0, iat= 430, 445, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 46 ILE H 47 ALA H 4.23 (#peak 224 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 224, nxpk= 0, iat= 678, 697, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 32 VAL H 33 GLN H 3.93 (#peak 225 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 225, nxpk= 0, iat= 475, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 31 CYS H 32 VAL H 3.90 (#peak 227 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 227, nxpk= 0, iat= 464, 475, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 50 THR H 51 SER H 3.93 (#peak 229 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 229, nxpk= 0, iat= 738, 752, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 47 ALA H 48 PHE H 4.06 (#peak 233 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 233, nxpk= 0, iat= 697, 707, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 67 HIS H 68 GLU H 4.22 (#peak 234 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 234, nxpk= 0, iat= 996,1013, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 65 PHE H 66 GLU H 4.31 (#peak 238 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 238, nxpk= 0, iat= 961, 981, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 64 SER H 65 PHE H 3.87 (#peak 239 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 239, nxpk= 0, iat= 950, 961, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 40 GLY H 41 MET H 4.15 (#peak 240 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 240, nxpk= 0, iat= 597, 604, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 45 LEU H 46 ILE H 4.12 (#peak 241 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 241, nxpk= 0, iat= 659, 678, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 63 ASN H 64 SER H 3.90 (#peak 246 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 246, nxpk= 0, iat= 936, 950, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 62 LEU H 63 ASN H 3.81 (#peak 248 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 248, nxpk= 0, iat= 917, 936, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 55 VAL H 56 GLY H 4.62 (#peak 251 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 251, nxpk= 0, iat= 816, 832, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 56 GLY H 57 LEU H 5.00 (#peak 252 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 252, nxpk= 0, iat= 832, 839, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 66 GLU H 67 HIS H 4.45 (#peak 253 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 253, nxpk= 0, iat= 981, 996, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 21 GLU H 22 ALA H 4.18 (#peak 258 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 258, nxpk= 0, iat= 295, 310, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 59 SER H 60 GLU H 5.18 (#peak 261 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 261, nxpk= 0, iat= 872, 883, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 22 ALA H 23 LEU H 3.92 (#peak 265 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 265, nxpk= 0, iat= 310, 320, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 5 ALA H 6 GLN H 4.48 (#peak 271 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 271, nxpk= 0, iat= 53, 63, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 42 VAL H 43 GLY H 4.40 (#peak 278 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 278, nxpk= 0, iat= 621, 637, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 61 ILE H 62 LEU H 3.85 (#peak 281 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 281, nxpk= 0, iat= 898, 917, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 74 LEU H 75 SER H 4.69 (#peak 282 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 282, nxpk= 0, iat=1124,1143, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 27 LEU H 28 VAL H 3.79 (#peak 288 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 288, nxpk= 0, iat= 395, 414, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 60 GLU H 61 ILE H 3.99 (#peak 293 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 293, nxpk= 0, iat= 883, 898, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 35 GLY H 36 GLN H 3.99 (#peak 295 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 295, nxpk= 0, iat= 529, 536, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 73 ARG H 74 LEU H 3.93 (#peak 315 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 315, nxpk= 0, iat=1100,1124, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 23 LEU H 24 ILE H 3.74 (#peak 319 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 319, nxpk= 0, iat= 320, 339, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 24 ILE H 25 GLU H 3.91 (#peak 323 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 323, nxpk= 0, iat= 339, 358, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 25 GLU H 26 LYS H 3.94 (#peak 324 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 324, nxpk= 0, iat= 358, 373, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 34 TYR H 34 TYR QD 3.81 (#peak 325 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 325, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 516, 525,
&end
#
# 51 SER H 52 THR H 4.17 (#peak 326 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 326, nxpk= 0, iat= 752, 763, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 26 LYS H 27 LEU H 3.78 (#peak 328 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 328, nxpk= 0, iat= 373, 395, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 52 THR H 53 HIS H 3.27 (#peak 331 #SUP 1
)
&rst
ixpk= 331, nxpk= 0, iat= 763, 777, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 69 PHE QD 70 LEU H 5.20 (#peak 334 #SUP 0.99 #QF 0.4
)
&rst
ixpk= 334, nxpk= 0, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1036,1044,
&end
#
# 71 SER H 72 LYS H 4.10 (#peak 335 #SUP 0.79 #QF 0.79
)
&rst
ixpk= 335, nxpk= 0, iat=1067,1078, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 58 THR H 61 ILE H 4.56 (#peak 336 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 336, nxpk= 0, iat= 858, 898, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 72 LYS H 73 ARG H 3.80 (#peak 352 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 352, nxpk= 0, iat=1078,1100, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 63 ASN HA 66 GLU H 4.83 (#peak 355 #SUP 0.73 #QF 0.73
)
&rst
ixpk= 355, nxpk= 0, iat= 938, 981, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 75 SER HA 76 LYS H 3.35 (#peak 360 #SUP 0.47 #QF 0.47
)
&rst
ixpk= 360, nxpk= 0, iat=1145,1154, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 2 SER HA 3 ALA H 3.47 (#peak 361 #SUP 0.97 #QF 0.83
)
&rst
ixpk= 361, nxpk= 0, iat= 23, 32, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 30 LEU HA 34 TYR H 3.94 (#peak 364 #SUP 0.46 #QF 0.46
)
&rst
ixpk= 364, nxpk= 0, iat= 447, 508, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 64 SER H 64 SER QB 3.45 (#peak 366 #SUP 0.99 #QF 0.85
)
&rst
ixpk= 366, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 954, 955,
&end
#
# 59 SER HA 62 LEU H 4.31 (#peak 377 #SUP 0.23 #QF 0.23
)
&rst
ixpk= 377, nxpk= 0, iat= 874, 917, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 75 SER H 75 SER QB 3.98 (#peak 381 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 381, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1147,1148,
&end
#
# 50 THR HB 51 SER H 3.39 (#peak 387 #SUP 0.38 #QF 0.38
)
&rst
ixpk= 387, nxpk= 0, iat= 742, 752, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 55 VAL HA 56 GLY H 3.29 (#peak 388 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 388, nxpk= 0, iat= 818, 832, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 41 MET HA 44 GLU H 4.89 (#peak 389 #SUP 0.85 #QF 0.85
)
&rst
ixpk= 389, nxpk= 0, iat= 606, 644, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 4 SER HA 7 GLN H 5.08 (#peak 393 #SUP 0.42 #QF 0.42
)
&rst
ixpk= 393, nxpk= 0, iat= 44, 80, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 29 GLU HA 32 VAL H 4.66 (#peak 412 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 412, nxpk= 0, iat= 432, 475, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 15 PHE HA 15 PHE QD 3.75 (#peak 430 #SUP 0.73 #QF 0.73
)
&rst
ixpk= 430, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 219, 227,
&end
#
# 48 PHE QE 64 SER QB 3.97 (#peak 433 #SUP 0.98 #QF 0.96
)
&rst
ixpk= 433, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 717, 721,
igr2= 954, 955,
&end
#
# 12 LEU HA 15 PHE QD 4.33 (#peak 435 #SUP 0.85 #QF 0.85
)
&rst
ixpk= 435, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 219, 227,
&end
#
# 65 PHE HB3 66 GLU H 4.64 (#peak 448 #SUP 0.44 #QF 0.44
)
&rst
ixpk= 448, nxpk= 0, iat= 966, 981, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 18 ASP H 18 ASP HB2 4.19 (#peak 456 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 456, nxpk= 0, iat= 257, 261, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 13 GLN H 13 GLN HG3 4.86 (#peak 461 #SUP 0.7 #QF 0.7
)
&rst
ixpk= 461, nxpk= 0, iat= 175, 183, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 31 CYS HB3 32 VAL H 4.55 (#peak 473 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 473, nxpk= 0, iat= 469, 475, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 7 GLN QG 7 GLN HE22 4.10 (#peak 478 #SUP 0.57 #QF 0.57
)
&rst
ixpk= 478, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 87, 88,
&end
#
# 29 GLU H 29 GLU QG 4.20 (#peak 480 #SUP 0.59 #QF 0.59
)
&rst
ixpk= 480, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 437, 438,
&end
#
# 69 PHE H 69 PHE HB2 4.15 (#peak 485 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 485, nxpk= 0, iat=1028,1032, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 48 PHE QE 65 PHE HA 4.37 (#peak 489 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 489, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 717, 721,
&end
#
# 69 PHE H 69 PHE HB3 4.19 (#peak 490 #SUP 0.74 #QF 0.74
)
&rst
ixpk= 490, nxpk= 0, iat=1028,1033, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 41 MET HB2 42 VAL H 4.83 (#peak 495 #SUP 1 #QF 0.84
)
&rst
ixpk= 495, nxpk= 0, iat= 608, 621, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 24 ILE HB 25 GLU H 3.98 (#peak 498 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 498, nxpk= 0, iat= 343, 358, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 6 GLN H 6 GLN HB3 3.81 (#peak 501 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 501, nxpk= 0, iat= 63, 68, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 66 GLU H 66 GLU HB3 4.05 (#peak 502 #SUP 0.73 #QF 0.73
)
&rst
ixpk= 502, nxpk= 0, iat= 981, 986, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 28 VAL HB 29 GLU H 3.81 (#peak 511 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 511, nxpk= 0, iat= 418, 430, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 29 GLU H 29 GLU QB 3.95 (#peak 517 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 517, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 434, 435,
&end
#
# 44 GLU HB3 69 PHE QE 5.78 (#peak 523 #SUP 0.53 #QF 0.53
)
&rst
ixpk= 523, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1038,1042,
&end
#
# 6 GLN HB3 7 GLN H 4.22 (#peak 529 #SUP 1 #QF 0.76
)
&rst
ixpk= 529, nxpk= 0, iat= 68, 80, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 60 GLU HB3 61 ILE H 4.38 (#peak 530 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 530, nxpk= 0, iat= 888, 898, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 10 GLU H 10 GLU HB2 3.98 (#peak 531 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 531, nxpk= 0, iat= 126, 130, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 26 LYS HB3 27 LEU H 4.53 (#peak 533 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 533, nxpk= 0, iat= 378, 395, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 25 GLU QB 29 GLU H 5.78 (#peak 534 #SUP 0.96 #QF 0.86
)
&rst
ixpk= 534, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 362, 363,
&end
#
# 29 GLU H 30 LEU HG 5.78 (#peak 534 #SUP 0.96 #QF 0.86
)
&rst
ixpk= 534, nxpk= 0, iat= 430, 452, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 55 VAL HB 56 GLY H 4.73 (#peak 536 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 536, nxpk= 0, iat= 820, 832, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 6 GLN HB2 7 GLN H 4.22 (#peak 537 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 537, nxpk= 0, iat= 67, 80, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 26 LYS HB2 27 LEU H 4.53 (#peak 540 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 540, nxpk= 0, iat= 377, 395, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 26 LYS H 26 LYS HB2 3.91 (#peak 541 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 541, nxpk= 0, iat= 373, 377, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 23 LEU H 23 LEU HB3 4.35 (#peak 545 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 545, nxpk= 0, iat= 320, 325, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 62 LEU H 62 LEU HB3 3.99 (#peak 546 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 546, nxpk= 0, iat= 917, 922, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 14 ILE H 14 ILE HB 3.65 (#peak 547 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 547, nxpk= 0, iat= 192, 196, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 14 ILE HB 15 PHE QD 4.69 (#peak 548 #SUP 0.87 #QF 0.81
)
&rst
ixpk= 548, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 219, 227,
&end
#
# 66 GLU HB2 67 HIS H 4.12 (#peak 551 #SUP 0.94 #QF 0.85
)
&rst
ixpk= 551, nxpk= 0, iat= 985, 996, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 76 LYS QB 78 ARG H 5.39 (#peak 552 #SUP 0.69 #QF 0.69
)
&rst
ixpk= 552, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1158,1159,
&end
#
# 61 ILE H 61 ILE HB 3.42 (#peak 553 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 553, nxpk= 0, iat= 898, 902, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 12 LEU HG 13 GLN H 5.39 (#peak 555 #SUP 0.49 #QF 0.49
)
&rst
ixpk= 555, nxpk= 0, iat= 163, 175, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 73 ARG H 73 ARG HB3 4.39 (#peak 556 #SUP 1
)
&rst
ixpk= 556, nxpk= 0, iat=1100,1105, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 76 LYS QD 77 ALA H 5.78 (#peak 559 #SUP 0.77 #QF 0.56
)
&rst
ixpk= 559, nxpk= 0, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1164,1165,
&end
#
# 74 LEU QB 75 SER H 4.28 (#peak 562 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 562, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1128,1129,
&end
#
# 26 LYS H 26 LYS HG3 4.92 (#peak 565 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 565, nxpk= 0, iat= 373, 381, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 14 ILE H 14 ILE HG12 4.36 (#peak 567 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 567, nxpk= 0, iat= 192, 202, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 74 LEU HG 78 ARG H 4.63 (#peak 569 #SUP 0.68 #QF 0.68
)
&rst
ixpk= 569, nxpk= 0, iat=1131,1186, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 72 LYS HB2 73 ARG H 4.63 (#peak 573 #SUP 0.85 #QF 0.85
)
&rst
ixpk= 573, nxpk= 0, iat=1082,1100, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 15 PHE QD 17 LEU HB2 5.78 (#peak 574 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 574, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 219, 227,
&end
#
# 15 PHE H 17 LEU HB2 5.50 (#peak 576 #SUP 0.35 #QF 0.35
)
&rst
ixpk= 576, nxpk= 0, iat= 211, 242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LEU HG 18 ASP H 5.48 (#peak 578 #SUP 0.51 #QF 0.51
)
&rst
ixpk= 578, nxpk= 0, iat= 245, 257, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 5 ALA QB 6 GLN H 3.53 (#peak 587 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 587, nxpk= 0, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 57, 58, 59,
&end
#
# 5 ALA QB 25 GLU H 4.98 (#peak 588 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 588, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 57, 58, 59,
&end
#
# 22 ALA QB 24 ILE H 5.15 (#peak 589 #SUP 0.85 #QF 0.85
)
&rst
ixpk= 589, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 314, 315, 316,
&end
#
# 23 LEU H 23 LEU HB2 4.35 (#peak 597 #SUP 0.85 #QF 0.85
)
&rst
ixpk= 597, nxpk= 0, iat= 320, 324, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 78 ARG H 78 ARG QG 4.97 (#peak 599 #SUP 0.96 #QF 0.94
)
&rst
ixpk= 599, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1193,1194,
&end
#
# 58 THR QG2 61 ILE H 5.13 (#peak 603 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 603, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 864, 865, 866,
&end
#
# 42 VAL H 42 VAL QG2 3.51 (#peak 608 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 608, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 631, 632, 633,
&end
#
# 61 ILE QG2 62 LEU H 4.43 (#peak 609 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 609, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 904, 905, 906,
&end
#
# 25 GLU H 28 VAL QG2 4.98 (#peak 610 #SUP 1 #QF 0.99
)
&rst
ixpk= 610, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 424, 425, 426,
&end
#
# 62 LEU H 62 LEU HG 4.91 (#peak 611 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 611, nxpk= 0, iat= 917, 924, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 62 LEU H 62 LEU QQD 4.08 (#peak 612 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 612, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 11 GLU H 42 VAL QG1 4.62 (#peak 613 #SUP 0.74 #QF 0.74
)
&rst
ixpk= 613, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 627, 628, 629,
&end
#
# 42 VAL H 42 VAL QG1 4.29 (#peak 614 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 614, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 627, 628, 629,
&end
#
# 23 LEU QD2 62 LEU H 5.29 (#peak 616 #SUP 0.98 #QF 0.48
)
&rst
ixpk= 616, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 333, 334, 335,
&end
#
# 24 ILE QD1 25 GLU H 5.71 (#peak 616 #SUP 0.98 #QF 0.48
)
&rst
ixpk= 616, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 352, 353, 354,
&end
#
# 27 LEU H 27 LEU QD2 4.35 (#peak 619 #SUP 0.89 #QF 0.82
)
&rst
ixpk= 619, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 408, 409, 410,
&end
#
# 51 SER H 52 THR QG2 4.68 (#peak 621 #SUP 0.5 #QF 0.5
)
&rst
ixpk= 621, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 769, 770, 771,
&end
#
# 55 VAL QQG 56 GLY H 3.90 (#peak 622 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 622, nxpk= 0, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 27 LEU H 30 LEU QQD 5.78 (#peak 623 #SUP 0.91 #QF 0.52
)
&rst
ixpk= 623, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr2= 454, 455, 456, 458, 459, 460,
&end
#
# 42 VAL QG2 43 GLY H 4.66 (#peak 624 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 624, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 631, 632, 633,
&end
#
# 27 LEU H 28 VAL QG2 5.15 (#peak 625 #SUP 0.96 #QF 0.68
)
&rst
ixpk= 625, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 424, 425, 426,
&end
#
# 70 LEU HB3 71 SER H 4.32 (#peak 627 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 627, nxpk= 0, iat=1053,1067, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 30 LEU QQD 32 VAL H 5.34 (#peak 631 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 631, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 454, 455, 456, 458, 459, 460,
&end
#
# 74 LEU H 74 LEU QQD 4.37 (#peak 632 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 632, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1133,1134,1135,1137,1138,1139,
&end
#
# 23 LEU QD1 24 ILE H 4.95 (#peak 644 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 644, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 329, 330, 331,
&end
#
# 48 PHE QE 61 ILE QG2 3.73 (#peak 647 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 647, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 717, 721,
igr2= 904, 905, 906,
&end
#
# 48 PHE QE 52 THR QG2 4.26 (#peak 648 #SUP 0.89 #QF 0.75
)
&rst
ixpk= 648, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 717, 721,
igr2= 769, 770, 771,
&end
#
# 52 THR QG2 53 HIS H 4.64 (#peak 648 #SUP 0.89 #QF 0.75
)
&rst
ixpk= 648, nxpk= 0, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 769, 770, 771,
&end
#
# 15 PHE QD 42 VAL QG1 3.49 (#peak 650 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 650, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 219, 227,
igr2= 627, 628, 629,
&end
#
# 15 PHE QD 17 LEU QD1 5.21 (#peak 651 #SUP 0.92 #QF 0.38
)
&rst
ixpk= 651, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 219, 227,
igr2= 247, 248, 249,
&end
#
# 15 PHE QD 17 LEU QD2 5.21 (#peak 651 #SUP 0.92 #QF 0.38
)
&rst
ixpk= 651, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 219, 227,
igr2= 251, 252, 253,
&end
#
# 12 LEU QD2 15 PHE QD 5.27 (#peak 653 #SUP 0.97 #QF 0.89
)
&rst
ixpk= 653, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 169, 170, 171,
igr2= 219, 227,
&end
#
# 15 PHE QD 46 ILE QG2 4.32 (#peak 654 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 654, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 219, 227,
igr2= 684, 685, 686,
&end
#
# 69 PHE QE 70 LEU QQD 4.47 (#peak 655 #SUP 0.43 #QF 0.43
)
&rst
ixpk= 655, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=1038,1042,
igr2=1057,1058,1059,1061,1062,1063,
&end
#
# 15 PHE QD 46 ILE QD1 3.64 (#peak 656 #SUP 0.82 #QF 0.82
)
&rst
ixpk= 656, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 219, 227,
igr2= 691, 692, 693,
&end
#
# 45 LEU QD1 48 PHE QD 4.02 (#peak 657 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 657, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 668, 669, 670,
igr2= 715, 723,
&end
#
# 45 LEU QD1 65 PHE QE 5.17 (#peak 658 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 658, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 668, 669, 670,
igr2= 971, 975,
&end
#
# 34 TYR QE 70 LEU QQD 4.54 (#peak 660 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 660, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 518, 523,
igr2=1057,1058,1059,1061,1062,1063,
&end
#
# 65 PHE QD 70 LEU HG 5.03 (#peak 663 #SUP 1
)
&rst
ixpk= 663, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 969, 977,
&end
#
# 65 PHE QE 70 LEU HG 4.29 (#peak 666 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 666, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 971, 975,
&end
#
# 14 ILE QG2 15 PHE H 4.39 (#peak 667 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 667, nxpk= 0, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 198, 199, 200,
&end
#
# 34 TYR QD 70 LEU QQD 4.25 (#peak 668 #SUP 0.98 #QF 0.6
)
&rst
ixpk= 668, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 516, 525,
igr2=1057,1058,1059,1061,1062,1063,
&end
#
# 65 PHE HZ 70 LEU QQD 4.53 (#peak 668 #SUP 0.98 #QF 0.6
)
&rst
ixpk= 668, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1057,1058,1059,1061,1062,1063,
&end
#
# 34 TYR QD 70 LEU HG 4.80 (#peak 669 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 669, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 516, 525,
&end
#
# 30 LEU QQD 34 TYR QE 3.14 (#peak 672 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 672, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 454, 455, 456, 458, 459, 460,
igr2= 518, 523,
&end
#
# 30 LEU QQD 65 PHE QD 4.01 (#peak 673 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 673, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 454, 455, 456, 458, 459, 460,
igr2= 969, 977,
&end
#
# 34 TYR QE 74 LEU QQD 4.59 (#peak 674 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 674, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1= 518, 523,
igr2=1133,1134,1135,1137,1138,1139,
&end
#
# 27 LEU QD1 65 PHE QD 4.18 (#peak 675 #SUP 0.79 #QF 0.79
)
&rst
ixpk= 675, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 404, 405, 406,
igr2= 969, 977,
&end
#
# 48 PHE QD 61 ILE QG2 4.31 (#peak 677 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 677, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 715, 723,
igr2= 904, 905, 906,
&end
#
# 30 LEU QQD 65 PHE QE 4.19 (#peak 678 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 678, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 454, 455, 456, 458, 459, 460,
igr2= 971, 975,
&end
#
# 48 PHE QD 52 THR QG2 4.21 (#peak 679 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 679, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 715, 723,
igr2= 769, 770, 771,
&end
#
# 27 LEU QD1 65 PHE QE 4.29 (#peak 680 #SUP 0.75 #QF 0.66
)
&rst
ixpk= 680, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 404, 405, 406,
igr2= 971, 975,
&end
#
# 30 LEU QQD 34 TYR QD 3.66 (#peak 682 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 682, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 454, 455, 456, 458, 459, 460,
igr2= 516, 525,
&end
#
# 30 LEU HB3 34 TYR QE 5.17 (#peak 684 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 684, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 518, 523,
&end
#
# 34 TYR QE 74 LEU QB 4.96 (#peak 691 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 691, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 518, 523,
igr2=1128,1129,
&end
#
# 44 GLU HB3 65 PHE QE 5.00 (#peak 695 #SUP 0.99 #QF 0.59
)
&rst
ixpk= 695, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 971, 975,
&end
#
# 30 LEU HB3 34 TYR QD 4.60 (#peak 699 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 699, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 516, 525,
&end
#
# 33 GLN HB3 34 TYR QD 4.52 (#peak 704 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 704, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 516, 525,
&end
#
# 44 GLU HB3 65 PHE HZ 4.76 (#peak 705 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 705, nxpk= 0, iat= 649, 973, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 45 LEU HA 65 PHE QD 4.88 (#peak 706 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 706, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 969, 977,
&end
#
# 65 PHE HA 65 PHE QD 3.96 (#peak 707 #SUP 1 #QF 0.49
)
&rst
ixpk= 707, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 969, 977,
&end
#
# 48 PHE HB2 65 PHE QD 4.29 (#peak 710 #SUP 0.78 #QF 0.78
)
&rst
ixpk= 710, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 969, 977,
&end
#
# 44 GLU HB2 65 PHE QE 5.06 (#peak 713 #SUP 0.99 #QF 0.86
)
&rst
ixpk= 713, nxpk= 0, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 971, 975,
&end
#
# 44 GLU QG 69 PHE QD 5.43 (#peak 713 #SUP 0.99 #QF 0.86
)
&rst
ixpk= 713, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1= 651, 652,
igr2=1036,1044,
&end
#
# 48 PHE QD 65 PHE HB2 4.75 (#peak 714 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 714, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 715, 723,
&end
#
# 45 LEU HA 65 PHE QE 4.36 (#peak 719 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 719, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 971, 975,
&end
#
# 67 HIS QB 67 HIS HD2 4.12 (#peak 727 #SUP 0.98 #QF 0.94
)
&rst
ixpk= 727, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1000,1001,
&end
#
# 44 GLU HB2 65 PHE HZ 4.44 (#peak 734 #SUP 0.94 #QF 0.88
)
&rst
ixpk= 734, nxpk= 0, iat= 648, 973, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 57 LEU HA 58 THR H 3.51 (#peak 736 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 736, nxpk= 0, iat= 841, 858, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 34 TYR QE 71 SER HA 3.98 (#peak 740 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 740, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 518, 523,
&end
#
# 27 LEU HA 65 PHE QD 5.22 (#peak 741 #SUP 0.85 #QF 0.5
)
&rst
ixpk= 741, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 969, 977,
&end
#
# 62 LEU HA 65 PHE QD 5.67 (#peak 741 #SUP 0.85 #QF 0.5
)
&rst
ixpk= 741, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 969, 977,
&end
#
# 69 PHE HA 69 PHE QD 4.52 (#peak 743 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 743, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1036,1044,
&end
#
# 34 TYR HA 34 TYR QD 3.89 (#peak 748 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 748, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 516, 525,
&end
#
# 30 LEU HA 34 TYR QD 3.97 (#peak 749 #SUP 0.86 #QF 0.82
)
&rst
ixpk= 749, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 516, 525,
&end
#
# 67 HIS HA 67 HIS HD2 4.56 (#peak 749 #SUP 0.86 #QF 0.82
)
&rst
ixpk= 749, nxpk= 0, iat= 998,1009, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 48 PHE HZ 64 SER QB 3.74 (#peak 751 #SUP 0.7 #QF 0.7
)
&rst
ixpk= 751, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 954, 955,
&end
#
# 48 PHE HA 48 PHE QD 3.70 (#peak 752 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 752, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 715, 723,
&end
#
# 48 PHE QE 65 PHE QD 5.16 (#peak 754 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 754, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 717, 721,
igr2= 969, 977,
&end
#
# 48 PHE QD 65 PHE QD 4.19 (#peak 756 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 756, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 715, 723,
igr2= 969, 977,
&end
#
# 45 LEU H 65 PHE QD 5.78 (#peak 795 #SUP 1 #QF 0.94
)
&rst
ixpk= 795, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 969, 977,
&end
#
# 48 PHE H 65 PHE QD 5.78 (#peak 795 #SUP 1 #QF 0.94
)
&rst
ixpk= 795, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 969, 977,
&end
#
# 65 PHE QD 66 GLU H 4.88 (#peak 796 #SUP 1
)
&rst
ixpk= 796, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 969, 977,
&end
#
# 48 PHE QD 49 CYS H 4.95 (#peak 797 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 797, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 715, 723,
&end
#
# 46 ILE HA 46 ILE QD1 3.83 (#peak 886 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 886, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 691, 692, 693,
&end
#
# 17 LEU QD2 46 ILE HA 5.76 (#peak 890 #SUP 0.95 #QF 0.68
)
&rst
ixpk= 890, nxpk= 0, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 251, 252, 253,
&end
#
# 5 ALA HA 8 LEU QQD 4.20 (#peak 894 #SUP 0.77 #QF 0.77
)
&rst
ixpk= 894, nxpk= 0, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 106, 107, 108, 110, 111, 112,
&end
#
# 3 ALA QB 31 CYS HB3 4.50 (#peak 903 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 903, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 36, 37, 38,
&end
#
# 8 LEU QQD 28 VAL HA 3.80 (#peak 909 #SUP 0.47 #QF 0.47
)
&rst
ixpk= 909, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 106, 107, 108, 110, 111, 112,
&end
#
# 15 PHE HB3 17 LEU QD1 5.63 (#peak 911 #SUP 0.9 #QF 0.59
)
&rst
ixpk= 911, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2= 247, 248, 249,
&end
#
# 15 PHE HB3 17 LEU QD2 5.63 (#peak 911 #SUP 0.9 #QF 0.59
)
&rst
ixpk= 911, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2= 251, 252, 253,
&end
#
# 46 ILE HA 48 PHE HB3 5.78 (#peak 939 #SUP 0.92 #QF 0.25
)
&rst
ixpk= 939, nxpk= 0, iat= 680, 712, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 63 ASN HA 65 PHE HB3 5.38 (#peak 987 #SUP 0.2 #QF 0.2
)
&rst
ixpk= 987, nxpk= 0, iat= 938, 966, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 69 PHE HA 72 LYS QE 4.59 (#peak 994 #SUP 0.52 #QF 0.52
)
&rst
ixpk= 994, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1091,1092,
&end
#
# 65 PHE QD 69 PHE HB3 5.49 (#peak 998 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 998, nxpk= 0, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 969, 977,
&end
#
# 21 GLU HA 25 GLU H 4.65 (#peak 1006 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 1006, nxpk= 0, iat= 297, 358, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 48 PHE HB3 65 PHE QE 5.12 (#peak 1027 #SUP 0.97 #QF 0.41
)
&rst
ixpk= 1027, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 971, 975,
&end
#
# 38 GLU HA 40 GLY H 5.46 (#peak 1054 #SUP 0.9 #QF 0.82
)
&rst
ixpk= 1054, nxpk= 0, iat= 569, 597, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 46 ILE HA 49 CYS H 5.00 (#peak 1061 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1061, nxpk= 0, iat= 680, 727, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 46 ILE HA 50 THR H 5.17 (#peak 1063 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 1063, nxpk= 0, iat= 680, 738, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 49 CYS HB3 50 THR H 4.74 (#peak 1073 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 1073, nxpk= 0, iat= 732, 738, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 19 CYS HB2 20 GLU H 4.67 (#peak 1088 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 1088, nxpk= 0, iat= 273, 280, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 60 GLU H 60 GLU QG 4.39 (#peak 1097 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 1097, nxpk= 0, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 890, 891,
&end
#
# 60 GLU H 60 GLU HB3 4.15 (#peak 1124 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 1124, nxpk= 0, iat= 883, 888, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 60 GLU H 60 GLU HB2 4.15 (#peak 1127 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 1127, nxpk= 0, iat= 883, 887, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 6 GLN H 6 GLN HB2 3.81 (#peak 1145 #SUP 0.99 #QF 0.98
)
&rst
ixpk= 1145, nxpk= 0, iat= 63, 67, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 41 MET HB3 42 VAL H 4.83 (#peak 1148 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 1148, nxpk= 0, iat= 609, 621, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 29 GLU QB 32 VAL H 5.47 (#peak 1166 #SUP 0.75 #QF 0.53
)
&rst
ixpk= 1166, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 434, 435,
&end
#
# 30 LEU HB2 32 VAL H 5.78 (#peak 1166 #SUP 0.75 #QF 0.53
)
&rst
ixpk= 1166, nxpk= 0, iat= 449, 475, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 10 GLU H 10 GLU HB3 3.98 (#peak 1169 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 1169, nxpk= 0, iat= 126, 131, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 60 GLU HB2 61 ILE H 4.38 (#peak 1175 #SUP 0.65 #QF 0.65
)
&rst
ixpk= 1175, nxpk= 0, iat= 887, 898, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 48 PHE QE 65 PHE HB2 4.80 (#peak 1191 #SUP 0.78 #QF 0.78
)
&rst
ixpk= 1191, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 717, 721,
&end
#
# 26 LYS HA 26 LYS HD2 4.17 (#peak 1237 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 1237, nxpk= 0, iat= 375, 383, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 23 LEU HA 26 LYS HB3 4.58 (#peak 1243 #SUP 0.46 #QF 0.46
)
&rst
ixpk= 1243, nxpk= 0, iat= 322, 378, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 23 LEU HA 26 LYS HB2 4.58 (#peak 1245 #SUP 0.75 #QF 0.75
)
&rst
ixpk= 1245, nxpk= 0, iat= 322, 377, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 27 LEU HA 30 LEU HB2 4.07 (#peak 1250 #SUP 0.59 #QF 0.59
)
&rst
ixpk= 1250, nxpk= 0, iat= 397, 449, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 29 GLU HA 29 GLU QG 4.31 (#peak 1257 #SUP 0.53 #QF 0.53
)
&rst
ixpk= 1257, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 437, 438,
&end
#
# 21 GLU HA 24 ILE HB 4.16 (#peak 1265 #SUP 0.88 #QF 0.47
)
&rst
ixpk= 1265, nxpk= 0, iat= 297, 343, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 31 CYS HA 41 MET QE 3.31 (#peak 1271 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 1271, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 615, 616, 617,
&end
#
# 11 GLU QB 14 ILE HB 4.76 (#peak 1331 #SUP 0.78 #QF 0.78
)
&rst
ixpk= 1331, nxpk= 0, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 145, 146,
&end
#
# 8 LEU QQD 41 MET HG3 4.99 (#peak 1402 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 1402, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 106, 107, 108, 110, 111, 112,
&end
#
# 34 TYR HB2 74 LEU QQD 5.78 (#peak 1403 #SUP 0.82 #QF 0.58
)
&rst
ixpk= 1403, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr2=1133,1134,1135,1137,1138,1139,
&end
#
# 15 PHE HB2 17 LEU QD2 5.63 (#peak 1404 #SUP 0.95 #QF 0.59
)
&rst
ixpk= 1404, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2= 251, 252, 253,
&end
#
# 8 LEU QQD 28 VAL HB 5.25 (#peak 1407 #SUP 0.86 #QF 0.75
)
&rst
ixpk= 1407, nxpk= 0, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 106, 107, 108, 110, 111, 112,
&end
#
# 8 LEU QQD 38 GLU HG2 5.48 (#peak 1407 #SUP 0.86 #QF 0.75
)
&rst
ixpk= 1407, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 106, 107, 108, 110, 111, 112,
&end
#
# 20 GLU QG 23 LEU QD1 4.58 (#peak 1408 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 1408, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 287, 288,
igr2= 329, 330, 331,
&end
#
# 8 LEU QQD 41 MET HG2 4.99 (#peak 1409 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 1409, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 106, 107, 108, 110, 111, 112,
&end
#
# 30 LEU HB2 30 LEU QQD 3.92 (#peak 1413 #SUP 0.97 #QF 0.41
)
&rst
ixpk= 1413, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 454, 455, 456, 458, 459, 460,
&end
#
# 27 LEU HB3 27 LEU QD2 4.15 (#peak 1422 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 1422, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 408, 409, 410,
&end
#
# 8 LEU HB3 8 LEU QQD 3.56 (#peak 1425 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 1425, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 106, 107, 108, 110, 111, 112,
&end
#
# 14 ILE HB 14 ILE QD1 4.06 (#peak 1427 #SUP 0.53 #QF 0.53
)
&rst
ixpk= 1427, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 205, 206, 207,
&end
#
# 41 MET QE 70 LEU HG 3.72 (#peak 1432 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 1432, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 615, 616, 617,
&end
#
# 45 LEU QD1 65 PHE HB2 5.16 (#peak 1434 #SUP 0.71 #QF 0.71
)
&rst
ixpk= 1434, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 668, 669, 670,
&end
#
# 8 LEU QQD 9 ALA QB 3.95 (#peak 1454 #SUP 0.24 #QF 0.24
)
&rst
ixpk= 1454, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 106, 107, 108, 110, 111, 112,
igr2= 120, 121, 122,
&end
#
# 26 LYS HG3 27 LEU QD1 3.61 (#peak 1455 #SUP 0.52 #QF 0.52
)
&rst
ixpk= 1455, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 404, 405, 406,
&end
#
# 17 LEU HB2 17 LEU QD1 4.31 (#peak 1457 #SUP 0.99 #QF 0.86
)
&rst
ixpk= 1457, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 247, 248, 249,
&end
#
# 17 LEU HB2 17 LEU QD2 4.31 (#peak 1457 #SUP 0.99 #QF 0.86
)
&rst
ixpk= 1457, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 251, 252, 253,
&end
#
# 8 LEU QQD 27 LEU HB2 3.87 (#peak 1461 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 1461, nxpk= 0, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 106, 107, 108, 110, 111, 112,
&end
#
# 26 LYS HG2 27 LEU QD2 4.43 (#peak 1463 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 1463, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 408, 409, 410,
&end
#
# 17 LEU HB3 17 LEU QD1 3.93 (#peak 1464 #SUP 1 #QF 0.91
)
&rst
ixpk= 1464, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 247, 248, 249,
&end
#
# 3 ALA QB 28 VAL QG1 3.96 (#peak 1479 #SUP 0.67 #QF 0.67
)
&rst
ixpk= 1479, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 36, 37, 38,
igr2= 420, 421, 422,
&end
#
# 58 THR QG2 61 ILE QD1 3.90 (#peak 1481 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 1481, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 864, 865, 866,
igr2= 911, 912, 913,
&end
#
# 61 ILE QG2 61 ILE QG1 4.45 (#peak 1482 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 1482, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 904, 905, 906,
igr2= 908, 909,
&end
#
# 45 LEU QD2 62 LEU QQD 4.57 (#peak 1491 #SUP 0.8 #QF 0.72
)
&rst
ixpk= 1491, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 672, 673, 674,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 8 LEU QQD 28 VAL QG2 3.74 (#peak 1494 #SUP 0.61 #QF 0.35
)
&rst
ixpk= 1494, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 106, 107, 108, 110, 111, 112,
igr2= 424, 425, 426,
&end
#
# 8 LEU QQD 42 VAL QG2 3.98 (#peak 1494 #SUP 0.61 #QF 0.35
)
&rst
ixpk= 1494, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 106, 107, 108, 110, 111, 112,
igr2= 631, 632, 633,
&end
#
# 27 LEU QD1 30 LEU QQD 3.19 (#peak 1495 #SUP 0.29 #QF 0.29
)
&rst
ixpk= 1495, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 404, 405, 406,
igr2= 454, 455, 456, 458, 459, 460,
&end
#
# 57 LEU QQD 61 ILE QG2 3.60 (#peak 1496 #SUP 0.9 #QF 0.83
)
&rst
ixpk= 1496, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 848, 849, 850, 852, 853, 854,
igr2= 904, 905, 906,
&end
#
# 24 ILE QG2 24 ILE QD1 3.47 (#peak 1499 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1499, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 345, 346, 347,
igr2= 352, 353, 354,
&end
#
# 12 LEU QD2 42 VAL QG2 3.63 (#peak 1502 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 1502, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 169, 170, 171,
igr2= 631, 632, 633,
&end
#
# 30 LEU HB3 30 LEU QQD 3.58 (#peak 1522 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 1522, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 454, 455, 456, 458, 459, 460,
&end
#
# 23 LEU HB2 23 LEU QD2 3.99 (#peak 1525 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 1525, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 333, 334, 335,
&end
#
# 27 LEU HB2 27 LEU QD2 4.15 (#peak 1527 #SUP 0.78 #QF 0.78
)
&rst
ixpk= 1527, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 408, 409, 410,
&end
#
# 76 LYS QB 76 LYS QD 3.21 (#peak 1550 #SUP 0.65 #QF 0.65
)
&rst
ixpk= 1550, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1158,1159,
igr2=1164,1165,
&end
#
# 12 LEU HG 42 VAL QG2 4.04 (#peak 1570 #SUP 0.78 #QF 0.78
)
&rst
ixpk= 1570, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 631, 632, 633,
&end
#
# 27 LEU HG 30 LEU QQD 5.40 (#peak 1571 #SUP 0.33 #QF 0.33
)
&rst
ixpk= 1571, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2= 454, 455, 456, 458, 459, 460,
&end
#
# 9 ALA QB 24 ILE QG2 4.47 (#peak 1574 #SUP 0.97 #QF 0.87
)
&rst
ixpk= 1574, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 120, 121, 122,
igr2= 345, 346, 347,
&end
#
# 74 LEU QB 74 LEU QQD 3.16 (#peak 1579 #SUP 0.8 #QF 0.8
)
&rst
ixpk= 1579, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1128,1129,
igr2=1133,1134,1135,1137,1138,1139,
&end
#
# 57 LEU QQD 61 ILE HB 3.50 (#peak 1580 #SUP 0.25 #QF 0.25
)
&rst
ixpk= 1580, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 848, 849, 850, 852, 853, 854,
&end
#
# 11 GLU QB 42 VAL QG2 3.69 (#peak 1588 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 1588, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 145, 146,
igr2= 631, 632, 633,
&end
#
# 26 LYS HG3 62 LEU QQD 4.10 (#peak 1600 #SUP 0.96 #QF 0.92
)
&rst
ixpk= 1600, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 62 LEU HB2 62 LEU QQD 4.29 (#peak 1600 #SUP 0.96 #QF 0.92
)
&rst
ixpk= 1600, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 3 ALA QB 32 VAL QG2 4.08 (#peak 1617 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 1617, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 36, 37, 38,
igr2= 485, 486, 487,
&end
#
# 5 ALA QB 24 ILE HA 5.78 (#peak 1629 #SUP 0.85 #QF 0.41
)
&rst
ixpk= 1629, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 57, 58, 59,
&end
#
# 24 ILE HA 24 ILE QD1 4.15 (#peak 1636 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 1636, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 352, 353, 354,
&end
#
# 24 ILE HA 24 ILE QG2 3.63 (#peak 1638 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1638, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 345, 346, 347,
&end
#
# 32 VAL HA 32 VAL QG2 3.30 (#peak 1641 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 1641, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 485, 486, 487,
&end
#
# 5 ALA HA 28 VAL QG2 3.54 (#peak 1644 #SUP 0.99 #QF 0.78
)
&rst
ixpk= 1644, nxpk= 0, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 424, 425, 426,
&end
#
# 12 LEU HA 12 LEU HG 4.37 (#peak 1657 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 1657, nxpk= 0, iat= 158, 163, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 26 LYS HA 26 LYS HG3 4.24 (#peak 1674 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 1674, nxpk= 0, iat= 375, 381, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 44 GLU HA 47 ALA QB 4.38 (#peak 1676 #SUP 0.49 #QF 0.49
)
&rst
ixpk= 1676, nxpk= 0, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 701, 702, 703,
&end
#
# 78 ARG HA 78 ARG QG 3.75 (#peak 1693 #SUP 0.99 #QF 0.96
)
&rst
ixpk= 1693, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=1193,1194,
&end
#
# 50 THR HA 50 THR QG2 3.39 (#peak 1697 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 1697, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 744, 745, 746,
&end
#
# 61 ILE HA 61 ILE QG1 3.94 (#peak 1698 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 1698, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 908, 909,
&end
#
# 61 ILE HA 61 ILE QG2 3.62 (#peak 1699 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 1699, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 904, 905, 906,
&end
#
# 25 GLU HA 28 VAL QG2 3.84 (#peak 1700 #SUP 0.95 #QF 0.84
)
&rst
ixpk= 1700, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 424, 425, 426,
&end
#
# 21 GLU HA 24 ILE QG2 4.75 (#peak 1701 #SUP 0.58 #QF 0.28
)
&rst
ixpk= 1701, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 345, 346, 347,
&end
#
# 8 LEU HA 42 VAL QG2 4.16 (#peak 1702 #SUP 0.87 #QF 0.38
)
&rst
ixpk= 1702, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 631, 632, 633,
&end
#
# 39 GLU HA 42 VAL QG2 4.45 (#peak 1702 #SUP 0.87 #QF 0.38
)
&rst
ixpk= 1702, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 631, 632, 633,
&end
#
# 30 LEU HA 30 LEU QQD 3.28 (#peak 1707 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 1707, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 454, 455, 456, 458, 459, 460,
&end
#
# 23 LEU HA 62 LEU HG 4.07 (#peak 1708 #SUP 0.56 #QF 0.56
)
&rst
ixpk= 1708, nxpk= 0, iat= 322, 924, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 27 LEU HA 30 LEU QQD 3.86 (#peak 1709 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 1709, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 454, 455, 456, 458, 459, 460,
&end
#
# 29 GLU HA 30 LEU QQD 5.78 (#peak 1711 #SUP 0.65 #QF 0.35
)
&rst
ixpk= 1711, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr2= 454, 455, 456, 458, 459, 460,
&end
#
# 59 SER HA 62 LEU HG 5.78 (#peak 1711 #SUP 0.65 #QF 0.35
)
&rst
ixpk= 1711, nxpk= 0, iat= 874, 924, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 58 THR H 61 ILE QD1 3.72 (#peak 1719 #SUP 0.97 #QF 0.96
)
&rst
ixpk= 1719, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 911, 912, 913,
&end
#
# 33 GLN HB2 34 TYR QD 4.52 (#peak 1722 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 1722, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 516, 525,
&end
#
# 34 TYR QD 74 LEU QB 4.27 (#peak 1723 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 1723, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 516, 525,
igr2=1128,1129,
&end
#
# 24 ILE H 24 ILE QG2 4.39 (#peak 1735 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 1735, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 345, 346, 347,
&end
#
# 23 LEU HB2 24 ILE H 4.52 (#peak 1736 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 1736, nxpk= 0, iat= 324, 339, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 73 ARG H 73 ARG HG2 4.77 (#peak 1737 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 1737, nxpk= 0, iat=1100,1107, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 73 ARG H 73 ARG HG3 4.77 (#peak 1738 #SUP 0.65 #QF 0.65
)
&rst
ixpk= 1738, nxpk= 0, iat=1100,1108, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 12 LEU H 17 LEU HB2 4.89 (#peak 1751 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1751, nxpk= 0, iat= 156, 242, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 54 LYS H 54 LYS HB2 4.07 (#peak 1755 #SUP 0.7 #QF 0.7
)
&rst
ixpk= 1755, nxpk= 0, iat= 794, 798, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 76 LYS H 76 LYS QD 5.78 (#peak 1757 #SUP 0.88 #QF 0.63
)
&rst
ixpk= 1757, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1164,1165,
&end
#
# 77 ALA H 78 ARG QB 5.78 (#peak 1757 #SUP 0.88 #QF 0.63
)
&rst
ixpk= 1757, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1190,1191,
&end
#
# 9 ALA QB 11 GLU H 5.05 (#peak 1761 #SUP 0.76 #QF 0.76
)
&rst
ixpk= 1761, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 120, 121, 122,
&end
#
# 46 ILE HB 47 ALA H 3.83 (#peak 1762 #SUP 0.98 #QF 0.36
)
&rst
ixpk= 1762, nxpk= 0, iat= 682, 697, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 3 ALA H 3 ALA QB 3.40 (#peak 1768 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1768, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 36, 37, 38,
&end
#
# 77 ALA H 77 ALA QB 3.55 (#peak 1769 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 1769, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1180,1181,1182,
&end
#
# 50 THR H 50 THR QG2 4.07 (#peak 1770 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1770, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 744, 745, 746,
&end
#
# 50 THR QG2 51 SER H 4.50 (#peak 1771 #SUP 1
)
&rst
ixpk= 1771, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 744, 745, 746,
&end
#
# 61 ILE H 61 ILE QG2 4.26 (#peak 1772 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 1772, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 904, 905, 906,
&end
#
# 61 ILE H 61 ILE QD1 4.12 (#peak 1774 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 1774, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 911, 912, 913,
&end
#
# 22 ALA H 22 ALA QB 3.13 (#peak 1777 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 1777, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 314, 315, 316,
&end
#
# 3 ALA QB 4 SER H 4.18 (#peak 1778 #SUP 1
)
&rst
ixpk= 1778, nxpk= 0, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 36, 37, 38,
&end
#
# 12 LEU H 12 LEU QD1 4.12 (#peak 1781 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1781, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 165, 166, 167,
&end
#
# 55 VAL H 55 VAL QQG 3.36 (#peak 1782 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 1782, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 70 LEU HG 71 SER H 5.62 (#peak 1786 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1786, nxpk= 0, iat=1055,1067, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 14 ILE H 14 ILE QG2 4.11 (#peak 1788 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 1788, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 198, 199, 200,
&end
#
# 52 THR H 52 THR QG2 3.61 (#peak 1792 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 1792, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 769, 770, 771,
&end
#
# 65 PHE QE 70 LEU QQD 4.32 (#peak 1799 #SUP 0.94 #QF 0.79
)
&rst
ixpk= 1799, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 971, 975,
igr2=1057,1058,1059,1061,1062,1063,
&end
#
# 69 PHE QD 70 LEU QQD 4.47 (#peak 1799 #SUP 0.94 #QF 0.79
)
&rst
ixpk= 1799, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=1036,1044,
igr2=1057,1058,1059,1061,1062,1063,
&end
#
# 45 LEU QD1 48 PHE QE 5.78 (#peak 1801 #SUP 0.71 #QF 0.71
)
&rst
ixpk= 1801, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 668, 669, 670,
igr2= 717, 721,
&end
#
# 34 TYR QE 70 LEU HG 4.48 (#peak 1806 #SUP 1
)
&rst
ixpk= 1806, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 518, 523,
&end
#
# 65 PHE QD 70 LEU QQD 4.67 (#peak 1807 #SUP 0.71 #QF 0.71
)
&rst
ixpk= 1807, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 969, 977,
igr2=1057,1058,1059,1061,1062,1063,
&end
#
# 45 LEU QD1 65 PHE QD 4.88 (#peak 1810 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 1810, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 668, 669, 670,
igr2= 969, 977,
&end
#
# 26 LYS HA 27 LEU QD2 4.56 (#peak 1816 #SUP 0.83 #QF 0.83
)
&rst
ixpk= 1816, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 408, 409, 410,
&end
#
# 52 THR HA 52 THR QG2 3.53 (#peak 1818 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 1818, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 769, 770, 771,
&end
#
# 27 LEU HA 27 LEU QD2 4.84 (#peak 1825 #SUP 0.71 #QF 0.71
)
&rst
ixpk= 1825, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 408, 409, 410,
&end
#
# 23 LEU QD2 59 SER HA 3.72 (#peak 1827 #SUP 0.66 #QF 0.66
)
&rst
ixpk= 1827, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 333, 334, 335,
&end
#
# 9 ALA HA 12 LEU QD1 3.65 (#peak 1828 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 1828, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 165, 166, 167,
&end
#
# 23 LEU QD2 59 SER QB 4.29 (#peak 1834 #SUP 0.83 #QF 0.83
)
&rst
ixpk= 1834, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 333, 334, 335,
igr2= 876, 877,
&end
#
# 46 ILE HA 46 ILE QG2 3.65 (#peak 1836 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 1836, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 684, 685, 686,
&end
#
# 14 ILE HA 14 ILE QG2 3.78 (#peak 1838 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1838, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 198, 199, 200,
&end
#
# 12 LEU QD1 19 CYS HB2 4.67 (#peak 1844 #SUP 0.8 #QF 0.8
)
&rst
ixpk= 1844, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 165, 166, 167,
&end
#
# 12 LEU QD1 17 LEU HB2 3.78 (#peak 1856 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1856, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 165, 166, 167,
&end
#
# 9 ALA QB 12 LEU QD1 4.70 (#peak 1857 #SUP 0.95 #QF 0.89
)
&rst
ixpk= 1857, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 120, 121, 122,
igr2= 165, 166, 167,
&end
#
# 12 LEU QD2 17 LEU HB3 5.13 (#peak 1862 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 1862, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 169, 170, 171,
&end
#
# 45 LEU QD1 61 ILE QG2 4.99 (#peak 1865 #SUP 0.79 #QF 0.79
)
&rst
ixpk= 1865, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 668, 669, 670,
igr2= 904, 905, 906,
&end
#
# 27 LEU QD2 45 LEU QD1 5.38 (#peak 1868 #SUP 0.94 #QF 0.47
)
&rst
ixpk= 1868, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 408, 409, 410,
igr2= 668, 669, 670,
&end
#
# 30 LEU QQD 70 LEU HG 3.35 (#peak 1876 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 1876, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 454, 455, 456, 458, 459, 460,
&end
#
# 14 ILE QG2 14 ILE HG13 4.41 (#peak 1877 #SUP 0.89 #QF 0.71
)
&rst
ixpk= 1877, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 198, 199, 200,
&end
#
# 27 LEU QD2 45 LEU QD2 4.64 (#peak 1881 #SUP 0.8 #QF 0.56
)
&rst
ixpk= 1881, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 408, 409, 410,
igr2= 672, 673, 674,
&end
#
# 12 LEU QD2 45 LEU QD2 4.04 (#peak 1882 #SUP 0.36 #QF 0.36
)
&rst
ixpk= 1882, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 169, 170, 171,
igr2= 672, 673, 674,
&end
#
# 42 VAL QG1 46 ILE QD1 4.07 (#peak 1883 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 1883, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 627, 628, 629,
igr2= 691, 692, 693,
&end
#
# 14 ILE QG2 14 ILE QD1 3.66 (#peak 1884 #SUP 0.92 #QF 0.64
)
&rst
ixpk= 1884, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 198, 199, 200,
igr2= 205, 206, 207,
&end
#
# 23 LEU QD2 62 LEU HG 4.63 (#peak 1895 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 1895, nxpk= 0, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 333, 334, 335,
&end
#
# 12 LEU QD2 42 VAL QG1 3.83 (#peak 1897 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 1897, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 169, 170, 171,
igr2= 627, 628, 629,
&end
#
# 30 LEU QQD 70 LEU QQD 4.59 (#peak 1899 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 1899, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1= 454, 455, 456, 458, 459, 460,
igr2=1057,1058,1059,1061,1062,1063,
&end
#
# 3 ALA QB 31 CYS QB 3.96 (#peak 2001
)
&rst
ixpk= 2001, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 36, 37, 38,
igr2= 468, 469,
&end
#
# 4 SER QB 7 GLN H 4.53 (#peak 416
)
&rst
ixpk= 416, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 46, 47,
&end
#
# 4 SER QB 7 GLN QB 4.12 (#peak 1253
)
&rst
ixpk= 1253, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 46, 47,
igr2= 84, 85,
&end
#
# 5 ALA HA 8 LEU QB 4.22 (#peak 24
)
&rst
ixpk= 24, nxpk= 0, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 101, 102,
&end
#
# 6 GLN H 6 GLN QB 3.32 (#peak 501
)
&rst
ixpk= 501, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 67, 68,
&end
#
# 7 GLN H 7 GLN QB 3.14 (#peak 423
)
&rst
ixpk= 423, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 84, 85,
&end
#
# 7 GLN QB 7 GLN QE2 4.06 (#peak 594
)
&rst
ixpk= 594, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 84, 85,
igr2= 92, 93,
&end
#
# 7 GLN QB 8 LEU H 3.76 (#peak 514
)
&rst
ixpk= 514, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 84, 85,
&end
#
# 7 GLN QG 7 GLN QE2 3.53 (#peak 478
)
&rst
ixpk= 478, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 87, 88,
igr2= 92, 93,
&end
#
# 8 LEU H 8 LEU QB 3.50 (#peak 515
)
&rst
ixpk= 515, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 101, 102,
&end
#
# 8 LEU H 38 GLU QB 5.25 (#peak 68
)
&rst
ixpk= 68, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 571, 572,
&end
#
# 8 LEU HA 38 GLU QB 4.03 (#peak 1268
)
&rst
ixpk= 1268, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 571, 572,
&end
#
# 8 LEU HA 38 GLU QG 4.96 (#peak 530
)
&rst
ixpk= 530, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 574, 575,
&end
#
# 8 LEU QB 9 ALA H 3.95 (#peak 532
)
&rst
ixpk= 532, nxpk= 0, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 101, 102,
&end
#
# 8 LEU QB 12 LEU QD1 4.88 (#peak 1863
)
&rst
ixpk= 1863, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 101, 102,
igr2= 165, 166, 167,
&end
#
# 8 LEU QB 24 ILE QG2 4.28 (#peak 2018
)
&rst
ixpk= 2018, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 101, 102,
igr2= 345, 346, 347,
&end
#
# 8 LEU QB 38 GLU QG 5.44 (#peak 1329
)
&rst
ixpk= 1329, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 101, 102,
igr2= 574, 575,
&end
#
# 8 LEU HG 38 GLU QB 5.18 (#peak 1541
)
&rst
ixpk= 1541, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 571, 572,
&end
#
# 8 LEU QQD 27 LEU QB 3.24 (#peak 1461
)
&rst
ixpk= 1461, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 106, 107, 108, 110, 111, 112,
igr2= 399, 400,
&end
#
# 8 LEU QQD 38 GLU QG 4.61 (#peak 534
)
&rst
ixpk= 534, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 106, 107, 108, 110, 111, 112,
igr2= 574, 575,
&end
#
# 8 LEU QQD 41 MET QG 4.12 (#peak 1409
)
&rst
ixpk= 1409, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 106, 107, 108, 110, 111, 112,
igr2= 611, 612,
&end
#
# 10 GLU QB 11 GLU H 3.64 (#peak 64
)
&rst
ixpk= 64, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 130, 131,
&end
#
# 11 GLU HA 14 ILE QG1 4.37 (#peak 115
)
&rst
ixpk= 115, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 202, 203,
&end
#
# 12 LEU HA 17 LEU QQD 4.00 (#peak 370
)
&rst
ixpk= 370, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 12 LEU QD1 24 ILE QG1 4.88 (#peak 1857
)
&rst
ixpk= 1857, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 165, 166, 167,
igr2= 349, 350,
&end
#
# 13 GLN H 13 GLN QG 4.10 (#peak 461
)
&rst
ixpk= 461, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 182, 183,
&end
#
# 14 ILE H 14 ILE QG1 3.65 (#peak 567
)
&rst
ixpk= 567, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 202, 203,
&end
#
# 14 ILE HA 14 ILE QG1 3.72 (#peak 121
)
&rst
ixpk= 121, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 202, 203,
&end
#
# 15 PHE H 15 PHE QB 3.66 (#peak 975
)
&rst
ixpk= 975, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 215, 216,
&end
#
# 15 PHE H 17 LEU QQD 5.58 (#peak 263
)
&rst
ixpk= 263, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 15 PHE QB 17 LEU QQD 4.14 (#peak 129
)
&rst
ixpk= 129, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 215, 216,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 15 PHE QB 46 ILE QD1 4.07 (#peak 2055
)
&rst
ixpk= 2055, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 215, 216,
igr2= 691, 692, 693,
&end
#
# 15 PHE QD 17 LEU QQD 4.50 (#peak 651
)
&rst
ixpk= 651, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 219, 227,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 15 PHE QD 46 ILE QG1 5.39 (#peak 653
)
&rst
ixpk= 653, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 219, 227,
igr2= 688, 689,
&end
#
# 17 LEU HA 17 LEU QQD 3.36 (#peak 1813
)
&rst
ixpk= 1813, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 17 LEU HA 18 ASP QB 4.60 (#peak 1214
)
&rst
ixpk= 1214, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 261, 262,
&end
#
# 17 LEU HB3 17 LEU QQD 3.06 (#peak 155
)
&rst
ixpk= 155, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 17 LEU QQD 18 ASP H 4.64 (#peak 342
)
&rst
ixpk= 342, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 247, 248, 249, 251, 252, 253,
&end
#
# 17 LEU QQD 45 LEU H 4.98 (#peak 150
)
&rst
ixpk= 150, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 247, 248, 249, 251, 252, 253,
&end
#
# 17 LEU QQD 45 LEU HG 4.32 (#peak 1871
)
&rst
ixpk= 1871, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 247, 248, 249, 251, 252, 253,
&end
#
# 17 LEU QQD 45 LEU QD1 5.03 (#peak 1868
)
&rst
ixpk= 1868, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
igr1= 247, 248, 249, 251, 252, 253,
igr2= 668, 669, 670,
&end
#
# 17 LEU QQD 45 LEU QD2 4.27 (#peak 1881
)
&rst
ixpk= 1881, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 247, 248, 249, 251, 252, 253,
igr2= 672, 673, 674,
&end
#
# 17 LEU QQD 46 ILE H 4.40 (#peak 165
)
&rst
ixpk= 165, nxpk= 0, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 247, 248, 249, 251, 252, 253,
&end
#
# 17 LEU QQD 46 ILE HA 4.61 (#peak 677
)
&rst
ixpk= 677, nxpk= 0, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 247, 248, 249, 251, 252, 253,
&end
#
# 17 LEU QQD 46 ILE QG1 4.05 (#peak 1497
)
&rst
ixpk= 1497, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 247, 248, 249, 251, 252, 253,
igr2= 688, 689,
&end
#
# 17 LEU QQD 46 ILE QD1 3.31 (#peak 713
)
&rst
ixpk= 713, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 247, 248, 249, 251, 252, 253,
igr2= 691, 692, 693,
&end
#
# 18 ASP H 18 ASP QB 3.65 (#peak 456
)
&rst
ixpk= 456, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 261, 262,
&end
#
# 18 ASP QB 19 CYS H 4.16 (#peak 551
)
&rst
ixpk= 551, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 261, 262,
&end
#
# 19 CYS QB 23 LEU QD1 5.44 (#peak 1403
)
&rst
ixpk= 1403, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 273, 274,
igr2= 329, 330, 331,
&end
#
# 19 CYS QB 24 ILE QG1 4.04 (#peak 172
)
&rst
ixpk= 172, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 273, 274,
igr2= 349, 350,
&end
#
# 19 CYS QB 24 ILE QD1 3.85 (#peak 2009
)
&rst
ixpk= 2009, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 273, 274,
igr2= 352, 353, 354,
&end
#
# 20 GLU HB2 21 GLU QB 4.39 (#peak 1324
)
&rst
ixpk= 1324, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 299, 300,
&end
#
# 20 GLU QG 21 GLU QB 4.89 (#peak 1318
)
&rst
ixpk= 1318, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 287, 288,
igr2= 299, 300,
&end
#
# 21 GLU QB 22 ALA QB 4.43 (#peak 947
)
&rst
ixpk= 947, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 299, 300,
igr2= 314, 315, 316,
&end
#
# 22 ALA HA 25 GLU QG 5.27 (#peak 202
)
&rst
ixpk= 202, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 365, 366,
&end
#
# 23 LEU H 23 LEU QB 3.61 (#peak 545
)
&rst
ixpk= 545, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 324, 325,
&end
#
# 23 LEU QB 23 LEU QD1 2.84 (#peak 238
)
&rst
ixpk= 238, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 324, 325,
igr2= 329, 330, 331,
&end
#
# 23 LEU QB 23 LEU QD2 3.36 (#peak 236
)
&rst
ixpk= 236, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 324, 325,
igr2= 333, 334, 335,
&end
#
# 23 LEU QB 24 ILE H 3.87 (#peak 405
)
&rst
ixpk= 405, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 324, 325,
&end
#
# 24 ILE HA 24 ILE QG1 3.84 (#peak 241
)
&rst
ixpk= 241, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 349, 350,
&end
#
# 24 ILE HA 27 LEU QB 4.29 (#peak 242
)
&rst
ixpk= 242, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 399, 400,
&end
#
# 26 LYS H 26 LYS QB 3.40 (#peak 541
)
&rst
ixpk= 541, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 377, 378,
&end
#
# 26 LYS QB 26 LYS QE 5.39 (#peak 1101
)
&rst
ixpk= 1101, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 377, 378,
igr2= 386, 387,
&end
#
# 26 LYS QB 27 LEU H 3.90 (#peak 533
)
&rst
ixpk= 533, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 377, 378,
&end
#
# 26 LYS QD 30 LEU QQD 5.61 (#peak 1474
)
&rst
ixpk= 1474, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 383, 384,
igr2= 454, 455, 456, 458, 459, 460,
&end
#
# 26 LYS QD 62 LEU HG 5.61 (#peak 1474
)
&rst
ixpk= 1474, nxpk= 0, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 383, 384,
&end
#
# 26 LYS QE 29 GLU QB 5.29 (#peak 1100
)
&rst
ixpk= 1100, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 386, 387,
igr2= 434, 435,
&end
#
# 26 LYS QE 30 LEU HG 5.61 (#peak 1101
)
&rst
ixpk= 1101, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 386, 387,
&end
#
# 26 LYS QE 30 LEU QQD 4.05 (#peak 1097
)
&rst
ixpk= 1097, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 386, 387,
igr2= 454, 455, 456, 458, 459, 460,
&end
#
# 27 LEU H 27 LEU QB 3.33 (#peak 487
)
&rst
ixpk= 487, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 399, 400,
&end
#
# 27 LEU QB 28 VAL H 3.74 (#peak 394
)
&rst
ixpk= 394, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 399, 400,
&end
#
# 30 LEU HG 41 MET QG 4.04 (#peak 1321
)
&rst
ixpk= 1321, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 611, 612,
&end
#
# 30 LEU QQD 33 GLN QB 5.61 (#peak 1474
)
&rst
ixpk= 1474, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 454, 455, 456, 458, 459, 460,
igr2= 495, 496,
&end
#
# 30 LEU QQD 41 MET QB 4.24 (#peak 1414
)
&rst
ixpk= 1414, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 454, 455, 456, 458, 459, 460,
igr2= 608, 609,
&end
#
# 30 LEU QQD 41 MET QG 3.86 (#peak 1413
)
&rst
ixpk= 1413, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 454, 455, 456, 458, 459, 460,
igr2= 611, 612,
&end
#
# 30 LEU QQD 66 GLU QG 3.49 (#peak 1567
)
&rst
ixpk= 1567, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 454, 455, 456, 458, 459, 460,
igr2= 988, 989,
&end
#
# 30 LEU QQD 70 LEU QB 3.56 (#peak 1518
)
&rst
ixpk= 1518, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 454, 455, 456, 458, 459, 460,
igr2=1052,1053,
&end
#
# 31 CYS H 31 CYS QB 3.45 (#peak 541
)
&rst
ixpk= 541, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 468, 469,
&end
#
# 31 CYS HA 36 GLN QB 4.96 (#peak 2035
)
&rst
ixpk= 2035, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 540, 541,
&end
#
# 31 CYS QB 32 VAL H 3.92 (#peak 473
)
&rst
ixpk= 473, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 468, 469,
&end
#
# 31 CYS QB 35 GLY H 5.00 (#peak 475
)
&rst
ixpk= 475, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 468, 469,
&end
#
# 33 GLN H 33 GLN QB 3.48 (#peak 57
)
&rst
ixpk= 57, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 495, 496,
&end
#
# 33 GLN H 33 GLN QG 4.80 (#peak 470
)
&rst
ixpk= 470, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 498, 499,
&end
#
# 33 GLN HA 33 GLN QG 3.92 (#peak 467
)
&rst
ixpk= 467, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 498, 499,
&end
#
# 33 GLN QB 34 TYR QD 3.89 (#peak 704
)
&rst
ixpk= 704, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 495, 496,
igr2= 516, 525,
&end
#
# 33 GLN QB 34 TYR QE 4.41 (#peak 693
)
&rst
ixpk= 693, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 495, 496,
igr2= 518, 523,
&end
#
# 33 GLN QB 35 GLY H 5.59 (#peak 238
)
&rst
ixpk= 238, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 495, 496,
&end
#
# 33 GLN QG 34 TYR H 4.95 (#peak 550
)
&rst
ixpk= 550, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 498, 499,
&end
#
# 33 GLN QG 34 TYR QD 4.74 (#peak 702
)
&rst
ixpk= 702, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 498, 499,
igr2= 516, 525,
&end
#
# 34 TYR QD 36 GLN QB 4.61 (#peak 494
)
&rst
ixpk= 494, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 516, 525,
igr2= 540, 541,
&end
#
# 36 GLN H 36 GLN QB 3.76 (#peak 563
)
&rst
ixpk= 563, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 540, 541,
&end
#
# 36 GLN QB 37 ASN H 4.11 (#peak 549
)
&rst
ixpk= 549, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 540, 541,
&end
#
# 36 GLN QB 41 MET QE 4.20 (#peak 1328
)
&rst
ixpk= 1328, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 540, 541,
igr2= 615, 616, 617,
&end
#
# 36 GLN QG 40 GLY QA 4.20 (#peak 1656
)
&rst
ixpk= 1656, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 543, 544,
igr2= 599, 600,
&end
#
# 37 ASN H 37 ASN QB 3.84 (#peak 548
)
&rst
ixpk= 548, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 557, 558,
&end
#
# 37 ASN QB 38 GLU H 4.06 (#peak 505
)
&rst
ixpk= 505, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 557, 558,
&end
#
# 37 ASN QB 40 GLY H 5.61 (#peak 506
)
&rst
ixpk= 506, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 557, 558,
&end
#
# 38 GLU H 38 GLU QG 5.29 (#peak 528
)
&rst
ixpk= 528, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 574, 575,
&end
#
# 38 GLU QB 39 GLU H 3.78 (#peak 148
)
&rst
ixpk= 148, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 571, 572,
&end
#
# 38 GLU QG 39 GLU H 4.94 (#peak 113
)
&rst
ixpk= 113, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 574, 575,
&end
#
# 39 GLU QB 40 GLY H 4.10 (#peak 182
)
&rst
ixpk= 182, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 586, 587,
&end
#
# 39 GLU QG 40 GLY H 4.84 (#peak 1120
)
&rst
ixpk= 1120, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 589, 590,
&end
#
# 41 MET H 41 MET QG 4.34 (#peak 114
)
&rst
ixpk= 114, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 611, 612,
&end
#
# 41 MET QB 42 VAL H 4.06 (#peak 1148
)
&rst
ixpk= 1148, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 608, 609,
&end
#
# 41 MET QG 41 MET QE 3.15 (#peak 2043
)
&rst
ixpk= 2043, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 611, 612,
igr2= 615, 616, 617,
&end
#
# 42 VAL HA 45 LEU QB 3.66 (#peak 585
)
&rst
ixpk= 585, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 663, 664,
&end
#
# 42 VAL QG1 43 GLY QA 5.11 (#peak 607
)
&rst
ixpk= 607, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 627, 628, 629,
igr2= 639, 640,
&end
#
# 43 GLY QA 46 ILE H 5.01 (#peak 181
)
&rst
ixpk= 181, nxpk= 0, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 639, 640,
&end
#
# 43 GLY QA 46 ILE HB 4.73 (#peak 606
)
&rst
ixpk= 606, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 639, 640,
&end
#
# 44 GLU H 45 LEU QB 5.11 (#peak 361
)
&rst
ixpk= 361, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 663, 664,
&end
#
# 45 LEU H 46 ILE QG1 5.61 (#peak 326
)
&rst
ixpk= 326, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 688, 689,
&end
#
# 45 LEU QB 45 LEU QD1 3.05 (#peak 665
)
&rst
ixpk= 665, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 663, 664,
igr2= 668, 669, 670,
&end
#
# 45 LEU QB 45 LEU QD2 3.16 (#peak 651
)
&rst
ixpk= 651, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 663, 664,
igr2= 672, 673, 674,
&end
#
# 45 LEU QB 46 ILE H 3.91 (#peak 52
)
&rst
ixpk= 52, nxpk= 0, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 663, 664,
&end
#
# 46 ILE H 46 ILE QG1 3.70 (#peak 164
)
&rst
ixpk= 164, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 688, 689,
&end
#
# 46 ILE HA 46 ILE QG1 3.90 (#peak 676
)
&rst
ixpk= 676, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 688, 689,
&end
#
# 46 ILE HA 49 CYS QB 4.19 (#peak 674
)
&rst
ixpk= 674, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 731, 732,
&end
#
# 46 ILE QG2 46 ILE QG1 3.48 (#peak 698
)
&rst
ixpk= 698, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 684, 685, 686,
igr2= 688, 689,
&end
#
# 48 PHE QD 68 GLU QB 4.76 (#peak 696
)
&rst
ixpk= 696, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 715, 723,
igr2=1017,1018,
&end
#
# 48 PHE QE 68 GLU QB 4.26 (#peak 526
)
&rst
ixpk= 526, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 717, 721,
igr2=1017,1018,
&end
#
# 48 PHE HZ 68 GLU QB 5.44 (#peak 527
)
&rst
ixpk= 527, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1017,1018,
&end
#
# 49 CYS HA 54 LYS QB 4.83 (#peak 936
)
&rst
ixpk= 936, nxpk= 0, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 798, 799,
&end
#
# 49 CYS QB 50 THR H 4.05 (#peak 1073
)
&rst
ixpk= 1073, nxpk= 0, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 731, 732,
&end
#
# 49 CYS QB 54 LYS QB 5.06 (#peak 787
)
&rst
ixpk= 787, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 731, 732,
igr2= 798, 799,
&end
#
# 53 HIS HA 54 LYS QB 5.17 (#peak 1680
)
&rst
ixpk= 1680, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 798, 799,
&end
#
# 54 LYS H 54 LYS QB 3.57 (#peak 557
)
&rst
ixpk= 557, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 798, 799,
&end
#
# 54 LYS QB 55 VAL H 4.31 (#peak 86
)
&rst
ixpk= 86, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 798, 799,
&end
#
# 54 LYS QB 61 ILE QD1 4.44 (#peak 790
)
&rst
ixpk= 790, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 798, 799,
igr2= 911, 912, 913,
&end
#
# 54 LYS QG 55 VAL H 3.92 (#peak 1766
)
&rst
ixpk= 1766, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 801, 802,
&end
#
# 55 VAL HB 56 GLY QA 5.17 (#peak 957
)
&rst
ixpk= 957, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 834, 835,
&end
#
# 56 GLY QA 57 LEU QB 4.92 (#peak 824
)
&rst
ixpk= 824, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 834, 835,
igr2= 843, 844,
&end
#
# 56 GLY QA 57 LEU QQD 4.49 (#peak 2057
)
&rst
ixpk= 2057, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 834, 835,
igr2= 848, 849, 850, 852, 853, 854,
&end
#
# 57 LEU H 57 LEU QB 3.58 (#peak 554
)
&rst
ixpk= 554, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 843, 844,
&end
#
# 57 LEU QB 58 THR H 4.61 (#peak 242
)
&rst
ixpk= 242, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 843, 844,
&end
#
# 58 THR H 60 GLU QB 5.61 (#peak 694
)
&rst
ixpk= 694, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 887, 888,
&end
#
# 59 SER HA 62 LEU QB 4.26 (#peak 1275
)
&rst
ixpk= 1275, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 921, 922,
&end
#
# 60 GLU H 60 GLU QB 3.62 (#peak 1124
)
&rst
ixpk= 1124, nxpk= 0, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 887, 888,
&end
#
# 60 GLU HA 63 ASN QD2 4.80 (#peak 599
)
&rst
ixpk= 599, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 945, 946,
&end
#
# 60 GLU QB 61 ILE H 3.83 (#peak 1175
)
&rst
ixpk= 1175, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 887, 888,
&end
#
# 60 GLU QB 62 LEU H 5.61 (#peak 500
)
&rst
ixpk= 500, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 887, 888,
&end
#
# 62 LEU H 62 LEU QB 3.48 (#peak 546
)
&rst
ixpk= 546, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 921, 922,
&end
#
# 62 LEU QB 63 ASN H 4.29 (#peak 1130
)
&rst
ixpk= 1130, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 921, 922,
&end
#
# 63 ASN HA 66 GLU QB 4.56 (#peak 8
)
&rst
ixpk= 8, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 985, 986,
&end
#
# 63 ASN HA 66 GLU QG 4.85 (#peak 7
)
&rst
ixpk= 7, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 988, 989,
&end
#
# 66 GLU H 66 GLU QB 3.50 (#peak 528
)
&rst
ixpk= 528, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 985, 986,
&end
#
# 66 GLU H 66 GLU QG 4.88 (#peak 959
)
&rst
ixpk= 959, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 988, 989,
&end
#
# 66 GLU H 70 LEU QB 5.24 (#peak 530
)
&rst
ixpk= 530, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1052,1053,
&end
#
# 66 GLU HA 66 GLU QG 3.78 (#peak 939
)
&rst
ixpk= 939, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 988, 989,
&end
#
# 66 GLU HA 70 LEU QB 3.86 (#peak 940
)
&rst
ixpk= 940, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1052,1053,
&end
#
# 66 GLU QG 67 HIS H 5.61 (#peak 500
)
&rst
ixpk= 500, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 988, 989,
&end
#
# 66 GLU QG 70 LEU QB 4.97 (#peak 951
)
&rst
ixpk= 951, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 988, 989,
igr2=1052,1053,
&end
#
# 66 GLU QG 70 LEU HG 4.43 (#peak 225
)
&rst
ixpk= 225, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 988, 989,
&end
#
# 66 GLU QG 70 LEU QQD 5.61 (#peak 952
)
&rst
ixpk= 952, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 988, 989,
igr2=1057,1058,1059,1061,1062,1063,
&end
#
# 68 GLU H 68 GLU QB 3.73 (#peak 120
)
&rst
ixpk= 120, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1017,1018,
&end
#
# 68 GLU HA 72 LYS QG 4.41 (#peak 1695
)
&rst
ixpk= 1695, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1085,1086,
&end
#
# 68 GLU QB 69 PHE H 4.48 (#peak 269
)
&rst
ixpk= 269, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1017,1018,
&end
#
# 69 PHE H 72 LYS QG 5.61 (#peak 605
)
&rst
ixpk= 605, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1085,1086,
&end
#
# 72 LYS H 72 LYS QB 3.68 (#peak 606
)
&rst
ixpk= 606, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1082,1083,
&end
#
# 72 LYS H 72 LYS QG 4.05 (#peak 607
)
&rst
ixpk= 607, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1085,1086,
&end
#
# 72 LYS HA 72 LYS QG 3.64 (#peak 1009
)
&rst
ixpk= 1009, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1085,1086,
&end
#
# 72 LYS QB 73 ARG H 3.98 (#peak 284
)
&rst
ixpk= 284, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1082,1083,
&end
#
# 73 ARG H 73 ARG QB 3.62 (#peak 285
)
&rst
ixpk= 285, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1104,1105,
&end
#
# 73 ARG H 73 ARG QG 4.13 (#peak 1738
)
&rst
ixpk= 1738, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1107,1108,
&end
#
# 73 ARG HA 73 ARG QG 3.76 (#peak 207
)
&rst
ixpk= 207, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1107,1108,
&end
# 1209 atoms read from pdb file 01.amb.pdb.
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