NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
490382 |
2kvi   |
cing | 1-original | 2 | AMBER | distance | NOE | simple |
#
# 1 PRO HB2 3 SER HB2 4.84 (#peak 8 #SUP 0.60 #QF 0.60)
&rst
ixpk= 8, nxpk= 0, iat= 11, 44, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 1 PRO HG3 46 ASN HA 4.78 (#peak 25 #SUP 0.93 #QF 0.93)
&rst
ixpk= 25, nxpk= 0, iat= 9, 758, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 1 PRO HG2 45 ASP HA 5.08 (#peak 30 #SUP 0.96 #QF 0.56)
&rst
ixpk= 30, nxpk= 0, iat= 8, 746, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 1 PRO HG2 46 ASN HA 5.33 (#peak 30 #SUP 0.96 #QF 0.56)
&rst
ixpk= 30, nxpk= 0, iat= 8, 758, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 3 SER HA 45 ASP HA 5.50 (#peak 60 #SUP 0.63 #QF 0.34)
&rst
ixpk= 60, nxpk= 0, iat= 42, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 SER HA 46 ASN HA 5.50 (#peak 60 #SUP 0.63 #QF 0.34)
&rst
ixpk= 60, nxpk= 0, iat= 42, 758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 SER HB3 45 ASP HN 4.33 (#peak 68 #SUP 0.87 #QF 0.87)
&rst
ixpk= 68, nxpk= 0, iat= 45, 744, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 3 SER HB3 31 MET HB2 4.91 (#peak 80 #SUP 0.39 #QF 0.39)
&rst
ixpk= 80, nxpk= 0, iat= 45, 513, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 3 SER HB3 50 VAL QG2 4.03 (#peak 82 #SUP 0.61 #QF 0.61)
&rst
ixpk= 82, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 822, 823, 824,
&end
#
# 1 PRO HG2 3 SER HB2 5.50 (#peak 85 #SUP 0.84 #QF 0.48)
&rst
ixpk= 85, nxpk= 0, iat= 8, 44, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 SER HB2 31 MET HB2 5.50 (#peak 85 #SUP 0.84 #QF 0.48)
&rst
ixpk= 85, nxpk= 0, iat= 44, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 SER HB2 50 VAL QG2 3.92 (#peak 86 #SUP 0.59 #QF 0.59)
&rst
ixpk= 86, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 822, 823, 824,
&end
#
# 5 LEU HA 44 PHE QD 4.87 (#peak 105 #SUP 1.00)
&rst
ixpk= 105, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 732, 740,
&end
#
# 5 LEU HA 5 LEU HG 4.25 (#peak 115 #SUP 0.92 #QF 0.92)
&rst
ixpk= 115, nxpk= 0, iat= 77, 82, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 5 LEU HB3 5 LEU QD1 3.89 (#peak 121 #SUP 1.00)
&rst
ixpk= 121, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 84, 85, 86,
&end
#
# 5 LEU HB3 42 ILE HB 4.02 (#peak 124 #SUP 1.00)
&rst
ixpk= 124, nxpk= 0, iat= 80, 692, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 5 LEU HB3 44 PHE QD 4.26 (#peak 126 #SUP 0.79 #QF 0.79)
&rst
ixpk= 126, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 732, 740,
&end
#
# 5 LEU HB2 44 PHE QD 4.40 (#peak 129 #SUP 0.71 #QF 0.71)
&rst
ixpk= 129, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 732, 740,
&end
#
# 5 LEU HB2 5 LEU QD1 3.89 (#peak 133 #SUP 1.00 #QF 0.99)
&rst
ixpk= 133, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 84, 85, 86,
&end
#
# 5 LEU HB2 5 LEU QD2 3.89 (#peak 134 #SUP 1.00)
&rst
ixpk= 134, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 88, 89, 90,
&end
#
# 5 LEU HA 5 LEU QD1 4.14 (#peak 144 #SUP 0.95 #QF 0.95)
&rst
ixpk= 144, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 84, 85, 86,
&end
#
# 5 LEU QD1 42 ILE QG2 4.31 (#peak 152 #SUP 0.85 #QF 0.85)
&rst
ixpk= 152, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 84, 85, 86,
igr2= 694, 695, 696,
&end
#
# 5 LEU QD1 44 PHE QD 3.93 (#peak 154 #SUP 0.91 #QF 0.91)
&rst
ixpk= 154, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 84, 85, 86,
igr2= 732, 740,
&end
#
# 5 LEU QD1 54 ILE HN 4.74 (#peak 155 #SUP 0.97 #QF 0.97)
&rst
ixpk= 155, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 84, 85, 86,
&end
#
# 5 LEU QD2 42 ILE QG2 4.31 (#peak 158 #SUP 0.98 #QF 0.98)
&rst
ixpk= 158, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 88, 89, 90,
igr2= 694, 695, 696,
&end
#
# 5 LEU HB3 5 LEU QD2 3.89 (#peak 162 #SUP 0.94 #QF 0.94)
&rst
ixpk= 162, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 88, 89, 90,
&end
#
# 5 LEU HA 5 LEU QD2 4.14 (#peak 168 #SUP 0.96 #QF 0.96)
&rst
ixpk= 168, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 88, 89, 90,
&end
#
# 5 LEU QD2 44 PHE QD 3.93 (#peak 171 #SUP 0.85 #QF 0.85)
&rst
ixpk= 171, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 88, 89, 90,
igr2= 732, 740,
&end
#
# 5 LEU HN 5 LEU QD2 4.67 (#peak 175 #SUP 0.95 #QF 0.95)
&rst
ixpk= 175, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 88, 89, 90,
&end
#
# 5 LEU QD2 54 ILE HN 4.74 (#peak 176 #SUP 0.93 #QF 0.93)
&rst
ixpk= 176, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 88, 89, 90,
&end
#
# 6 PHE HA 7 ILE QD1 4.45 (#peak 186 #SUP 0.91 #QF 0.91)
&rst
ixpk= 186, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 127, 128, 129,
&end
#
# 6 PHE HB3 70 GLU HN 4.57 (#peak 187 #SUP 0.97 #QF 0.97)
&rst
ixpk= 187, nxpk= 0, iat= 99,1136, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 6 PHE HB2 70 GLU HN 4.63 (#peak 188 #SUP 0.95 #QF 0.95)
&rst
ixpk= 188, nxpk= 0, iat= 98,1136, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 6 PHE HB3 69 LEU HB2 4.96 (#peak 200 #SUP 0.95 #QF 0.95)
&rst
ixpk= 200, nxpk= 0, iat= 99,1121, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 7 ILE HB 40 GLY HN 4.19 (#peak 204 #SUP 0.91 #QF 0.91)
&rst
ixpk= 204, nxpk= 0, iat= 118, 661, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 7 ILE QG2 11 PRO HD3 4.51 (#peak 221 #SUP 0.65 #QF 0.65)
&rst
ixpk= 221, nxpk= 0, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 120, 121, 122,
&end
#
# 7 ILE QG2 11 PRO HD2 4.70 (#peak 224 #SUP 1.00)
&rst
ixpk= 224, nxpk= 0, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 120, 121, 122,
&end
#
# 7 ILE QG2 58 SER QB 5.18 (#peak 227 #SUP 0.38 #QF 0.38)
&rst
ixpk= 227, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 120, 121, 122,
igr2= 938, 939,
&end
#
# 7 ILE QG2 40 GLY HN 4.14 (#peak 235 #SUP 0.95 #QF 0.95)
&rst
ixpk= 235, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 120, 121, 122,
&end
#
# 7 ILE QD1 42 ILE QG2 4.53 (#peak 273 #SUP 0.97 #QF 0.97)
&rst
ixpk= 273, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 127, 128, 129,
igr2= 694, 695, 696,
&end
#
# 7 ILE QG2 7 ILE QD1 3.15 (#peak 277 #SUP 0.95 #QF 0.95)
&rst
ixpk= 277, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 120, 121, 122,
igr2= 127, 128, 129,
&end
#
# 7 ILE QD1 42 ILE HB 3.63 (#peak 280 #SUP 0.73 #QF 0.73)
&rst
ixpk= 280, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 127, 128, 129,
&end
#
# 7 ILE QD1 54 ILE HG13 4.06 (#peak 281 #SUP 0.54 #QF 0.54)
&rst
ixpk= 281, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 127, 128, 129,
&end
#
# 5 LEU HB3 7 ILE QD1 3.97 (#peak 282 #SUP 0.58 #QF 0.58)
&rst
ixpk= 282, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 127, 128, 129,
&end
#
# 7 ILE QD1 24 PHE QD 4.27 (#peak 294 #SUP 0.72 #QF 0.72)
&rst
ixpk= 294, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 127, 128, 129,
igr2= 408, 416,
&end
#
# 7 ILE QD1 54 ILE HN 5.36 (#peak 295 #SUP 0.58 #QF 0.58)
&rst
ixpk= 295, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 127, 128, 129,
&end
#
# 7 ILE QD1 40 GLY HN 5.32 (#peak 298 #SUP 0.99 #QF 0.99)
&rst
ixpk= 298, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 127, 128, 129,
&end
#
# 7 ILE QD1 42 ILE HN 4.76 (#peak 299 #SUP 0.96 #QF 0.96)
&rst
ixpk= 299, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 127, 128, 129,
&end
#
# 12 LEU HA 12 LEU QD1 3.82 (#peak 322 #SUP 0.99 #QF 0.99)
&rst
ixpk= 322, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 196, 197, 198,
&end
#
# 12 LEU HN 12 LEU HG 4.59 (#peak 330 #SUP 0.89 #QF 0.89)
&rst
ixpk= 330, nxpk= 0, iat= 187, 194, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 12 LEU HA 12 LEU HG 3.97 (#peak 331 #SUP 0.99 #QF 0.99)
&rst
ixpk= 331, nxpk= 0, iat= 189, 194, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 12 LEU HA 12 LEU QD2 3.82 (#peak 339 #SUP 0.94 #QF 0.94)
&rst
ixpk= 339, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 200, 201, 202,
&end
#
# 12 LEU QD2 38 ALA HA 4.36 (#peak 340 #SUP 1.00)
&rst
ixpk= 340, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 200, 201, 202,
&end
#
# 4 ARG HA 43 GLN HA 3.73 (#peak 349 #SUP 0.44 #QF 0.44)
&rst
ixpk= 349, nxpk= 0, iat= 53, 709, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 15 VAL HA 15 VAL QG2 3.43 (#peak 362 #SUP 1.00)
&rst
ixpk= 362, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 252, 253, 254,
&end
#
# 15 VAL HA 15 VAL QG1 3.43 (#peak 363 #SUP 1.00)
&rst
ixpk= 363, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 248, 249, 250,
&end
#
# 15 VAL QG2 16 SER HN 4.46 (#peak 386 #SUP 1.00)
&rst
ixpk= 386, nxpk= 0, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 252, 253, 254,
&end
#
# 6 PHE HA 6 PHE HD1 3.99 (#peak 404 #SUP 0.57 #QF 0.57)
&rst
ixpk= 404, nxpk= 0, iat= 96, 102, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 6 PHE HA 7 ILE HB 4.31 (#peak 411 #SUP 0.50 #QF 0.50)
&rst
ixpk= 411, nxpk= 0, iat= 96, 118, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 18 GLU HA 22 ARG HN 4.52 (#peak 424 #SUP 0.91 #QF 0.42)
&rst
ixpk= 424, nxpk= 0, iat= 293, 357, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 51 ARG HA 55 GLU HN 4.82 (#peak 424 #SUP 0.91 #QF 0.42)
&rst
ixpk= 424, nxpk= 0, iat= 830, 893, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 51 ARG HA 54 ILE HN 4.22 (#peak 425 #SUP 0.89 #QF 0.89)
&rst
ixpk= 425, nxpk= 0, iat= 830, 874, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 51 ARG HA 55 GLU HG3 4.09 (#peak 429 #SUP 0.59 #QF 0.59)
&rst
ixpk= 429, nxpk= 0, iat= 830, 901, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 51 ARG HA 51 ARG HG3 3.60 (#peak 431 #SUP 0.83 #QF 0.83)
&rst
ixpk= 431, nxpk= 0, iat= 830, 836, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 50 VAL QG1 51 ARG HA 3.59 (#peak 433 #SUP 0.83 #QF 0.83)
&rst
ixpk= 433, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 818, 819, 820,
&end
#
# 51 ARG HA 54 ILE QD1 3.47 (#peak 434 #SUP 0.88 #QF 0.88)
&rst
ixpk= 434, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 887, 888, 889,
&end
#
# 18 GLU HA 18 GLU QG 4.08 (#peak 436 #SUP 0.99 #QF 0.99)
&rst
ixpk= 436, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 298, 299,
&end
#
# 51 ARG QB 51 ARG HD2 3.58 (#peak 439 #SUP 1.00)
&rst
ixpk= 439, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 832, 833,
&end
#
# 16 SER HN 19 ASP HA 5.24 (#peak 442 #SUP 0.89 #QF 0.89)
&rst
ixpk= 442, nxpk= 0, iat= 258, 308, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 19 ASP HA 22 ARG HN 4.53 (#peak 443 #SUP 0.57 #QF 0.57)
&rst
ixpk= 443, nxpk= 0, iat= 308, 357, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 19 ASP HA 23 ILE HG13 4.90 (#peak 452 #SUP 0.65 #QF 0.65)
&rst
ixpk= 452, nxpk= 0, iat= 308, 392, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 19 ASP HB3 20 LEU HN 4.03 (#peak 463 #SUP 0.95 #QF 0.95)
&rst
ixpk= 463, nxpk= 0, iat= 311, 318, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 20 LEU HA 22 ARG HN 5.28 (#peak 491 #SUP 0.97 #QF 0.97)
&rst
ixpk= 491, nxpk= 0, iat= 320, 357, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 20 LEU HA 23 ILE HG12 3.66 (#peak 505 #SUP 0.74 #QF 0.74)
&rst
ixpk= 505, nxpk= 0, iat= 320, 391, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 20 LEU HN 20 LEU QD2 3.95 (#peak 544 #SUP 1.00)
&rst
ixpk= 544, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 331, 332, 333,
&end
#
# 20 LEU HA 20 LEU QD2 4.09 (#peak 549 #SUP 1.00)
&rst
ixpk= 549, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 331, 332, 333,
&end
#
# 20 LEU QD2 21 PHE HB2 5.11 (#peak 551 #SUP 0.94 #QF 0.94)
&rst
ixpk= 551, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 331, 332, 333,
&end
#
# 20 LEU QD2 21 PHE HB3 5.22 (#peak 552 #SUP 0.74 #QF 0.74)
&rst
ixpk= 552, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 331, 332, 333,
&end
#
# 20 LEU HB2 20 LEU QD2 3.60 (#peak 553 #SUP 1.00)
&rst
ixpk= 553, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 331, 332, 333,
&end
#
# 20 LEU HB3 20 LEU QD2 3.60 (#peak 555 #SUP 0.87 #QF 0.87)
&rst
ixpk= 555, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 331, 332, 333,
&end
#
# 20 LEU QD2 42 ILE QG2 4.73 (#peak 558 #SUP 0.95 #QF 0.95)
&rst
ixpk= 558, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 331, 332, 333,
igr2= 694, 695, 696,
&end
#
# 20 LEU HN 21 PHE HA 5.50 (#peak 562 #SUP 0.97 #QF 0.97)
&rst
ixpk= 562, nxpk= 0, iat= 318, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE HB3 22 ARG HA 4.40 (#peak 576 #SUP 0.93 #QF 0.93)
&rst
ixpk= 576, nxpk= 0, iat= 342, 359, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 22 ARG HA 22 ARG HG3 3.70 (#peak 582 #SUP 0.98 #QF 0.98)
&rst
ixpk= 582, nxpk= 0, iat= 359, 365, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 22 ARG HA 22 ARG HG2 3.87 (#peak 583 #SUP 0.99 #QF 0.99)
&rst
ixpk= 583, nxpk= 0, iat= 359, 364, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 22 ARG HN 23 ILE HA 5.50 (#peak 588 #SUP 0.91 #QF 0.91)
&rst
ixpk= 588, nxpk= 0, iat= 357, 383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ARG HG2 23 ILE HA 4.07 (#peak 592 #SUP 1.00 #QF 0.34)
&rst
ixpk= 592, nxpk= 0, iat= 364, 383, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 23 ILE HA 23 ILE HG12 4.22 (#peak 594 #SUP 1.00)
&rst
ixpk= 594, nxpk= 0, iat= 383, 391, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 23 ILE HA 23 ILE QD1 3.91 (#peak 595 #SUP 0.89 #QF 0.89)
&rst
ixpk= 595, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 394, 395, 396,
&end
#
# 23 ILE HA 23 ILE QG2 3.22 (#peak 596 #SUP 0.99 #QF 0.99)
&rst
ixpk= 596, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 387, 388, 389,
&end
#
# 22 ARG HG3 23 ILE HA 4.81 (#peak 597 #SUP 0.92 #QF 0.92)
&rst
ixpk= 597, nxpk= 0, iat= 365, 383, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 20 LEU HA 23 ILE HB 4.49 (#peak 602 #SUP 0.99 #QF 0.99)
&rst
ixpk= 602, nxpk= 0, iat= 320, 385, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 23 ILE QG2 24 PHE QD 4.62 (#peak 612 #SUP 0.95 #QF 0.95)
&rst
ixpk= 612, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 387, 388, 389,
igr2= 408, 416,
&end
#
# 23 ILE QG2 24 PHE HA 5.48 (#peak 616 #SUP 0.93 #QF 0.93)
&rst
ixpk= 616, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 387, 388, 389,
&end
#
# 20 LEU HA 23 ILE QG2 4.69 (#peak 618 #SUP 1.00)
&rst
ixpk= 618, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 387, 388, 389,
&end
#
# 22 ARG HG2 23 ILE QG2 3.76 (#peak 622 #SUP 1.00 #QF 0.90)
&rst
ixpk= 622, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 387, 388, 389,
&end
#
# 23 ILE QG2 23 ILE HG12 3.40 (#peak 624 #SUP 1.00)
&rst
ixpk= 624, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 387, 388, 389,
&end
#
# 23 ILE QG2 23 ILE QD1 3.00 (#peak 625 #SUP 0.91 #QF 0.91)
&rst
ixpk= 625, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 387, 388, 389,
igr2= 394, 395, 396,
&end
#
# 23 ILE HN 23 ILE HG13 3.65 (#peak 627 #SUP 1.00)
&rst
ixpk= 627, nxpk= 0, iat= 381, 392, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 21 PHE HN 23 ILE QD1 4.82 (#peak 629 #SUP 0.96 #QF 0.96)
&rst
ixpk= 629, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 394, 395, 396,
&end
#
# 23 ILE QD1 25 SER HN 4.90 (#peak 630 #SUP 0.99 #QF 0.99)
&rst
ixpk= 630, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 394, 395, 396,
&end
#
# 20 LEU HA 23 ILE QD1 3.28 (#peak 635 #SUP 0.63 #QF 0.63)
&rst
ixpk= 635, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 394, 395, 396,
&end
#
# 23 ILE QD1 57 GLU HB2 5.50 (#peak 640 #SUP 0.52 #QF 0.52)
&rst
ixpk= 640, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 394, 395, 396,
&end
#
# 42 ILE QG2 42 ILE QD1 2.94 (#peak 645 #SUP 0.48 #QF 0.48)
&rst
ixpk= 645, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 694, 695, 696,
igr2= 701, 702, 703,
&end
#
# 23 ILE HN 25 SER HB2 5.19 (#peak 663 #SUP 0.65 #QF 0.65)
&rst
ixpk= 663, nxpk= 0, iat= 381, 424, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 25 SER HB3 26 PRO HB3 4.26 (#peak 673 #SUP 0.82 #QF 0.82)
&rst
ixpk= 673, nxpk= 0, iat= 425, 439, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 25 SER HB2 26 PRO HB3 5.29 (#peak 674 #SUP 0.61 #QF 0.61)
&rst
ixpk= 674, nxpk= 0, iat= 424, 439, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 27 TYR HA 53 ALA QB 5.45 (#peak 714 #SUP 0.89 #QF 0.89)
&rst
ixpk= 714, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 868, 869, 870,
&end
#
# 6 PHE HN 6 PHE HB3 4.11 (#peak 723 #SUP 1.00)
&rst
ixpk= 723, nxpk= 0, iat= 94, 99, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 6 PHE HN 6 PHE HB2 4.12 (#peak 724 #SUP 1.00)
&rst
ixpk= 724, nxpk= 0, iat= 94, 98, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 29 HIS HB3 30 ILE HN 4.89 (#peak 748 #SUP 0.91 #QF 0.91)
&rst
ixpk= 748, nxpk= 0, iat= 478, 490, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 29 HIS HB2 30 ILE HN 4.89 (#peak 749 #SUP 0.99 #QF 0.99)
&rst
ixpk= 749, nxpk= 0, iat= 477, 490, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 30 ILE HA 31 MET HN 3.19 (#peak 754 #SUP 0.98 #QF 0.98)
&rst
ixpk= 754, nxpk= 0, iat= 492, 509, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 30 ILE HA 44 PHE QD 3.72 (#peak 757 #SUP 0.96 #QF 0.96)
&rst
ixpk= 757, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 732, 740,
&end
#
# 30 ILE HA 31 MET HB2 4.28 (#peak 762 #SUP 0.98 #QF 0.98)
&rst
ixpk= 762, nxpk= 0, iat= 492, 513, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 30 ILE HA 30 ILE HG13 3.30 (#peak 764 #SUP 0.65 #QF 0.65)
&rst
ixpk= 764, nxpk= 0, iat= 492, 501, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 30 ILE HA 30 ILE HG12 3.84 (#peak 765 #SUP 1.00)
&rst
ixpk= 765, nxpk= 0, iat= 492, 500, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 30 ILE HA 30 ILE QG2 3.33 (#peak 768 #SUP 1.00)
&rst
ixpk= 768, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 496, 497, 498,
&end
#
# 29 HIS HA 30 ILE HB 4.59 (#peak 774 #SUP 0.72 #QF 0.72)
&rst
ixpk= 774, nxpk= 0, iat= 475, 494, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 30 ILE QG2 31 MET HN 3.54 (#peak 780 #SUP 0.98 #QF 0.98)
&rst
ixpk= 780, nxpk= 0, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 496, 497, 498,
&end
#
# 30 ILE QG2 31 MET HA 3.92 (#peak 787 #SUP 0.69 #QF 0.69)
&rst
ixpk= 787, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 496, 497, 498,
&end
#
# 30 ILE QG2 31 MET HB2 4.53 (#peak 788 #SUP 0.84 #QF 0.84)
&rst
ixpk= 788, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 496, 497, 498,
&end
#
# 21 PHE HB2 30 ILE HG13 4.48 (#peak 798 #SUP 0.65 #QF 0.65)
&rst
ixpk= 798, nxpk= 0, iat= 341, 501, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 5 LEU HG 54 ILE QD1 4.11 (#peak 805 #SUP 0.43 #QF 0.43)
&rst
ixpk= 805, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 887, 888, 889,
&end
#
# 21 PHE HA 30 ILE QD1 3.70 (#peak 807 #SUP 0.99 #QF 0.66)
&rst
ixpk= 807, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 503, 504, 505,
&end
#
# 30 ILE HA 30 ILE QD1 4.03 (#peak 807 #SUP 0.99 #QF 0.66)
&rst
ixpk= 807, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 503, 504, 505,
&end
#
# 21 PHE HN 30 ILE QD1 4.52 (#peak 808 #SUP 0.96 #QF 0.96)
&rst
ixpk= 808, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 503, 504, 505,
&end
#
# 30 ILE QD1 45 ASP HN 4.93 (#peak 809 #SUP 0.79 #QF 0.79)
&rst
ixpk= 809, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 503, 504, 505,
&end
#
# 30 ILE HN 30 ILE QD1 5.09 (#peak 810 #SUP 0.99 #QF 0.99)
&rst
ixpk= 810, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 503, 504, 505,
&end
#
# 30 ILE QD1 32 GLN HN 4.27 (#peak 812 #SUP 0.99 #QF 0.55)
&rst
ixpk= 812, nxpk= 0, iat= -1, 526, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 503, 504, 505,
&end
#
# 30 ILE QD1 31 MET HA 4.03 (#peak 814 #SUP 0.88 #QF 0.88)
&rst
ixpk= 814, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 503, 504, 505,
&end
#
# 30 ILE QD1 31 MET HB2 5.31 (#peak 823 #SUP 0.99 #QF 0.56)
&rst
ixpk= 823, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 503, 504, 505,
&end
#
# 30 ILE HA 31 MET HA 4.66 (#peak 830 #SUP 0.61 #QF 0.61)
&rst
ixpk= 830, nxpk= 0, iat= 492, 511, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 31 MET HA 31 MET QG 3.06 (#peak 833 #SUP 0.90 #QF 0.90)
&rst
ixpk= 833, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 516, 517,
&end
#
# 31 MET HA 31 MET HB2 3.00 (#peak 834 #SUP 0.98 #QF 0.98)
&rst
ixpk= 834, nxpk= 0, iat= 511, 513, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 30 ILE HG12 31 MET HA 5.47 (#peak 838 #SUP 0.96 #QF 0.96)
&rst
ixpk= 838, nxpk= 0, iat= 500, 511, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 31 MET HN 31 MET HB3 4.15 (#peak 840 #SUP 1.00)
&rst
ixpk= 840, nxpk= 0, iat= 509, 514, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 31 MET HN 31 MET HB2 3.97 (#peak 841 #SUP 1.00)
&rst
ixpk= 841, nxpk= 0, iat= 509, 513, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 31 MET HB2 43 GLN HN 5.28 (#peak 842 #SUP 0.95 #QF 0.95)
&rst
ixpk= 842, nxpk= 0, iat= 513, 707, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 31 MET HB3 32 GLN HN 4.60 (#peak 852 #SUP 0.95 #QF 0.95)
&rst
ixpk= 852, nxpk= 0, iat= 514, 526, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 31 MET HN 31 MET QG 3.78 (#peak 857 #SUP 0.99 #QF 0.99)
&rst
ixpk= 857, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 516, 517,
&end
#
# 30 ILE HA 31 MET QG 4.43 (#peak 864 #SUP 0.99 #QF 0.99)
&rst
ixpk= 864, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 516, 517,
&end
#
# 31 MET HB2 31 MET QG 2.89 (#peak 870 #SUP 0.70 #QF 0.70)
&rst
ixpk= 870, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 516, 517,
&end
#
# 31 MET QG 31 MET QE 2.85 (#peak 871 #SUP 1.00)
&rst
ixpk= 871, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 516, 517,
igr2= 520, 521, 522,
&end
#
# 31 MET HN 31 MET QE 4.85 (#peak 872 #SUP 1.00)
&rst
ixpk= 872, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 520, 521, 522,
&end
#
# 31 MET QE 32 GLN HN 4.99 (#peak 874 #SUP 0.92 #QF 0.92)
&rst
ixpk= 874, nxpk= 0, iat= -1, 526, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 520, 521, 522,
&end
#
# 31 MET HA 31 MET QE 3.40 (#peak 878 #SUP 0.76 #QF 0.76)
&rst
ixpk= 878, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 520, 521, 522,
&end
#
# 31 MET QE 45 ASP HB2 4.20 (#peak 881 #SUP 0.80 #QF 0.80)
&rst
ixpk= 881, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 520, 521, 522,
&end
#
# 31 MET QE 45 ASP HB3 4.20 (#peak 883 #SUP 0.68 #QF 0.68)
&rst
ixpk= 883, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 520, 521, 522,
&end
#
# 30 ILE QG2 31 MET QE 4.42 (#peak 889 #SUP 0.82 #QF 0.82)
&rst
ixpk= 889, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1= 496, 497, 498,
igr2= 520, 521, 522,
&end
#
# 35 ILE HA 35 ILE QD1 3.69 (#peak 922 #SUP 0.99 #QF 0.99)
&rst
ixpk= 922, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 589, 590, 591,
&end
#
# 35 ILE HA 35 ILE QG2 3.22 (#peak 923 #SUP 1.00)
&rst
ixpk= 923, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 582, 583, 584,
&end
#
# 35 ILE QG2 36 LYS HN 3.32 (#peak 924 #SUP 0.87 #QF 0.87)
&rst
ixpk= 924, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 582, 583, 584,
&end
#
# 35 ILE QD1 36 LYS HN 5.50 (#peak 941 #SUP 1.00)
&rst
ixpk= 941, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 589, 590, 591,
&end
#
# 34 ASN HN 35 ILE QD1 4.37 (#peak 942 #SUP 0.53 #QF 0.53)
&rst
ixpk= 942, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 589, 590, 591,
&end
#
# 34 ASN HA 35 ILE QD1 4.67 (#peak 943 #SUP 0.83 #QF 0.83)
&rst
ixpk= 943, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 589, 590, 591,
&end
#
# 20 LEU HA 35 ILE QD1 5.50 (#peak 946 #SUP 0.72 #QF 0.23)
&rst
ixpk= 946, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 589, 590, 591,
&end
#
# 35 ILE HB 35 ILE QD1 3.00 (#peak 951 #SUP 0.54 #QF 0.54)
&rst
ixpk= 951, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 589, 590, 591,
&end
#
# 35 ILE QD1 42 ILE HG12 3.46 (#peak 953 #SUP 0.30 #QF 0.30)
&rst
ixpk= 953, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 589, 590, 591,
&end
#
# 12 LEU HA 38 ALA HA 4.04 (#peak 962 #SUP 0.52 #QF 0.52)
&rst
ixpk= 962, nxpk= 0, iat= 189, 633, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 12 LEU QD1 38 ALA HA 4.36 (#peak 968 #SUP 1.00)
&rst
ixpk= 968, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 196, 197, 198,
&end
#
# 38 ALA HN 38 ALA QB 3.59 (#peak 970 #SUP 1.00)
&rst
ixpk= 970, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 635, 636, 637,
&end
#
# 38 ALA QB 39 PHE HN 3.53 (#peak 971 #SUP 0.98 #QF 0.98)
&rst
ixpk= 971, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 635, 636, 637,
&end
#
# 38 ALA QB 39 PHE HA 4.18 (#peak 974 #SUP 0.95 #QF 0.95)
&rst
ixpk= 974, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 635, 636, 637,
&end
#
# 12 LEU HG 38 ALA QB 4.45 (#peak 982 #SUP 0.69 #QF 0.69)
&rst
ixpk= 982, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 635, 636, 637,
&end
#
# 12 LEU QD1 38 ALA QB 3.72 (#peak 984 #SUP 0.99 #QF 0.99)
&rst
ixpk= 984, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 196, 197, 198,
igr2= 635, 636, 637,
&end
#
# 12 LEU QD2 38 ALA QB 3.72 (#peak 985 #SUP 0.97 #QF 0.97)
&rst
ixpk= 985, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 200, 201, 202,
igr2= 635, 636, 637,
&end
#
# 7 ILE HB 39 PHE HA 5.50 (#peak 994 #SUP 0.99 #QF 0.99)
&rst
ixpk= 994, nxpk= 0, iat= 118, 643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 ILE QG2 39 PHE HA 4.70 (#peak 995 #SUP 0.70 #QF 0.70)
&rst
ixpk= 995, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 120, 121, 122,
&end
#
# 41 PHE HA 42 ILE HN 3.33 (#peak 1025 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1025, nxpk= 0, iat= 670, 688, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 7 ILE HN 41 PHE HA 4.57 (#peak 1026 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1026, nxpk= 0, iat= 114, 670, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 6 PHE HA 41 PHE HA 3.98 (#peak 1029 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1029, nxpk= 0, iat= 96, 670, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 35 ILE QG1 41 PHE HA 5.50 (#peak 1033 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1033, nxpk= 0, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 586, 587,
&end
#
# 41 PHE HA 42 ILE HG13 4.50 (#peak 1034 #SUP 0.64 #QF 0.64)
&rst
ixpk= 1034, nxpk= 0, iat= 670, 699, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 ILE QD1 41 PHE HA 5.10 (#peak 1035 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1035, nxpk= 0, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 127, 128, 129,
&end
#
# 41 PHE HN 41 PHE HB3 4.15 (#peak 1038 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1038, nxpk= 0, iat= 668, 673, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 41 PHE HN 41 PHE HB2 4.15 (#peak 1039 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1039, nxpk= 0, iat= 668, 672, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 42 ILE HA 44 PHE QD 5.22 (#peak 1048 #SUP 1.00)
&rst
ixpk= 1048, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 732, 740,
&end
#
# 42 ILE HA 42 ILE HG12 3.32 (#peak 1057 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1057, nxpk= 0, iat= 690, 698, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 42 ILE HA 42 ILE HG13 3.41 (#peak 1058 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1058, nxpk= 0, iat= 690, 699, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 42 ILE HB 44 PHE QD 4.55 (#peak 1063 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1063, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 732, 740,
&end
#
# 42 ILE HN 42 ILE QG2 4.09 (#peak 1074 #SUP 1.00)
&rst
ixpk= 1074, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 694, 695, 696,
&end
#
# 42 ILE QG2 43 GLN HN 3.48 (#peak 1075 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1075, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 694, 695, 696,
&end
#
# 24 PHE QD 42 ILE QG2 4.58 (#peak 1077 #SUP 0.59 #QF 0.59)
&rst
ixpk= 1077, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 408, 416,
igr2= 694, 695, 696,
&end
#
# 42 ILE QG2 44 PHE QD 3.37 (#peak 1079 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1079, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 694, 695, 696,
igr2= 732, 740,
&end
#
# 42 ILE HA 42 ILE QG2 3.22 (#peak 1081 #SUP 1.00)
&rst
ixpk= 1081, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 694, 695, 696,
&end
#
# 30 ILE HA 42 ILE QG2 4.85 (#peak 1082 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1082, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 694, 695, 696,
&end
#
# 42 ILE QG2 44 PHE QB 4.56 (#peak 1084 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1084, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 694, 695, 696,
igr2= 728, 729,
&end
#
# 24 PHE HB2 42 ILE QG2 4.69 (#peak 1086 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1086, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 694, 695, 696,
&end
#
# 42 ILE QG2 53 ALA QB 5.04 (#peak 1087 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1087, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 694, 695, 696,
igr2= 868, 869, 870,
&end
#
# 42 ILE QG2 42 ILE HG12 2.96 (#peak 1088 #SUP 0.60 #QF 0.60)
&rst
ixpk= 1088, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1= 694, 695, 696,
&end
#
# 30 ILE QD1 42 ILE QG2 3.10 (#peak 1089 #SUP 0.93 #QF 0.34)
&rst
ixpk= 1089, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 503, 504, 505,
igr2= 694, 695, 696,
&end
#
# 42 ILE QG2 42 ILE HG13 4.03 (#peak 1091 #SUP 1.00)
&rst
ixpk= 1091, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 694, 695, 696,
&end
#
# 42 ILE HN 42 ILE HG13 4.54 (#peak 1093 #SUP 1.00)
&rst
ixpk= 1093, nxpk= 0, iat= 688, 699, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 42 ILE HN 42 ILE HG12 4.63 (#peak 1094 #SUP 1.00)
&rst
ixpk= 1094, nxpk= 0, iat= 688, 698, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 41 PHE HN 42 ILE HG13 4.87 (#peak 1095 #SUP 0.71 #QF 0.56)
&rst
ixpk= 1095, nxpk= 0, iat= 668, 699, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 42 ILE HG13 43 GLN HN 5.50 (#peak 1095 #SUP 0.71 #QF 0.56)
&rst
ixpk= 1095, nxpk= 0, iat= 699, 707, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 ILE HG12 43 GLN HN 5.02 (#peak 1096 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1096, nxpk= 0, iat= 698, 707, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 20 LEU HB3 42 ILE QD1 3.74 (#peak 1108 #SUP 0.96 #QF 0.58)
&rst
ixpk= 1108, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 701, 702, 703,
&end
#
# 42 ILE HB 42 ILE QD1 3.52 (#peak 1108 #SUP 0.96 #QF 0.58)
&rst
ixpk= 1108, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 701, 702, 703,
&end
#
# 42 ILE HN 42 ILE QD1 4.40 (#peak 1109 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1109, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 701, 702, 703,
&end
#
# 23 ILE QD1 24 PHE QD 3.34 (#peak 1111 #SUP 0.41 #QF 0.41)
&rst
ixpk= 1111, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 394, 395, 396,
igr2= 408, 416,
&end
#
# 42 ILE QD1 44 PHE QD 4.71 (#peak 1113 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1113, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 701, 702, 703,
igr2= 732, 740,
&end
#
# 41 PHE HA 42 ILE QD1 4.98 (#peak 1114 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1114, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 701, 702, 703,
&end
#
# 21 PHE HA 23 ILE QD1 4.74 (#peak 1118 #SUP 0.26 #QF 0.26)
&rst
ixpk= 1118, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 394, 395, 396,
&end
#
# 23 ILE QD1 24 PHE HB2 3.54 (#peak 1121 #SUP 0.53 #QF 0.53)
&rst
ixpk= 1121, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 394, 395, 396,
&end
#
# 20 LEU HB2 42 ILE QD1 3.74 (#peak 1122 #SUP 0.99 #QF 0.47)
&rst
ixpk= 1122, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 701, 702, 703,
&end
#
# 20 LEU HG 42 ILE QD1 3.71 (#peak 1123 #SUP 0.52 #QF 0.52)
&rst
ixpk= 1123, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 701, 702, 703,
&end
#
# 23 ILE HB 23 ILE QD1 3.66 (#peak 1124 #SUP 0.45 #QF 0.45)
&rst
ixpk= 1124, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 394, 395, 396,
&end
#
# 5 LEU HN 43 GLN HA 4.05 (#peak 1131 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1131, nxpk= 0, iat= 75, 709, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 43 GLN HA 44 PHE QD 4.04 (#peak 1133 #SUP 0.51 #QF 0.51)
&rst
ixpk= 1133, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 732, 740,
&end
#
# 5 LEU HB3 43 GLN HA 4.25 (#peak 1137 #SUP 0.41 #QF 0.41)
&rst
ixpk= 1137, nxpk= 0, iat= 80, 709, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 44 PHE HA 44 PHE QD 3.62 (#peak 1143 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1143, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 732, 740,
&end
#
# 30 ILE HA 44 PHE HA 3.70 (#peak 1145 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1145, nxpk= 0, iat= 492, 726, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 31 MET QG 44 PHE HA 4.22 (#peak 1147 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1147, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 516, 517,
&end
#
# 30 ILE QG2 44 PHE HA 4.60 (#peak 1150 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1150, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 496, 497, 498,
&end
#
# 42 ILE QG2 44 PHE HA 4.60 (#peak 1151 #SUP 0.70 #QF 0.70)
&rst
ixpk= 1151, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 694, 695, 696,
&end
#
# 44 PHE QB 45 ASP HA 4.47 (#peak 1160 #SUP 0.60 #QF 0.60)
&rst
ixpk= 1160, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 728, 729,
&end
#
# 28 GLY HA3 44 PHE QB 4.87 (#peak 1164 #SUP 0.97 #QF 0.70)
&rst
ixpk= 1164, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 728, 729,
&end
#
# 43 GLN HA 44 PHE QB 5.31 (#peak 1164 #SUP 0.97 #QF 0.70)
&rst
ixpk= 1164, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 728, 729,
&end
#
# 5 LEU HA 44 PHE QB 5.50 (#peak 1165 #SUP 0.65 #QF 0.65)
&rst
ixpk= 1165, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 728, 729,
&end
#
# 30 ILE QD1 44 PHE QB 4.87 (#peak 1167 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1167, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 503, 504, 505,
igr2= 728, 729,
&end
#
# 44 PHE QB 53 ALA QB 4.81 (#peak 1169 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1169, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 728, 729,
igr2= 868, 869, 870,
&end
#
# 3 SER HB3 45 ASP HA 4.13 (#peak 1176 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1176, nxpk= 0, iat= 45, 746, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 3 SER HB2 45 ASP HA 3.20 (#peak 1177 #SUP 0.68 #QF 0.68)
&rst
ixpk= 1177, nxpk= 0, iat= 44, 746, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 31 MET QG 45 ASP HA 3.88 (#peak 1180 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1180, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 516, 517,
&end
#
# 31 MET QE 45 ASP HA 3.75 (#peak 1181 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1181, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 520, 521, 522,
&end
#
# 45 ASP HB2 46 ASN HN 4.75 (#peak 1187 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1187, nxpk= 0, iat= 748, 756, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 47 PRO HD3 48 GLN HG3 5.35 (#peak 1241 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1241, nxpk= 0, iat= 772, 792, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 48 GLN HA 51 ARG HN 4.68 (#peak 1249 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1249, nxpk= 0, iat= 786, 828, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 48 GLN HA 50 VAL HN 5.20 (#peak 1250 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1250, nxpk= 0, iat= 786, 812, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 48 GLN HA 51 ARG HG2 4.62 (#peak 1258 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1258, nxpk= 0, iat= 786, 835, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 48 GLN HN 48 GLN HB3 3.64 (#peak 1262 #SUP 1.00)
&rst
ixpk= 1262, nxpk= 0, iat= 784, 789, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 48 GLN HA 48 GLN HG3 3.68 (#peak 1274 #SUP 1.00)
&rst
ixpk= 1274, nxpk= 0, iat= 786, 792, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 48 GLN HA 48 GLN HG2 4.19 (#peak 1275 #SUP 1.00)
&rst
ixpk= 1275, nxpk= 0, iat= 786, 791, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 47 PRO QG 48 GLN HG3 2.98 (#peak 1279 #SUP 0.53 #QF 0.53)
&rst
ixpk= 1279, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr1= 774, 775,
&end
#
# 47 PRO HB2 48 GLN HG2 4.29 (#peak 1280 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1280, nxpk= 0, iat= 777, 791, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 49 SER HA 52 ASP HN 4.54 (#peak 1284 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1284, nxpk= 0, iat= 803, 852, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 44 PHE QD 49 SER HA 4.99 (#peak 1285 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1285, nxpk= 0, iat= -1, 803, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 732, 740,
&end
#
# 28 GLY HA3 49 SER HA 3.30 (#peak 1289 #SUP 0.52 #QF 0.52)
&rst
ixpk= 1289, nxpk= 0, iat= 469, 803, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 49 SER HA 53 ALA QB 4.66 (#peak 1295 #SUP 0.68 #QF 0.68)
&rst
ixpk= 1295, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 868, 869, 870,
&end
#
# 49 SER HA 51 ARG HG3 4.96 (#peak 1296 #SUP 0.64 #QF 0.64)
&rst
ixpk= 1296, nxpk= 0, iat= 803, 836, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 50 VAL HA 53 ALA HN 4.12 (#peak 1312 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1312, nxpk= 0, iat= 814, 864, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 44 PHE QD 50 VAL HA 3.96 (#peak 1313 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1313, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 732, 740,
&end
#
# 28 GLY HA3 50 VAL HA 5.33 (#peak 1315 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1315, nxpk= 0, iat= 469, 814, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 50 VAL HA 51 ARG HA 5.10 (#peak 1316 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1316, nxpk= 0, iat= 814, 830, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 5 LEU QD1 50 VAL HA 4.61 (#peak 1321 #SUP 1.00 #QF 0.91)
&rst
ixpk= 1321, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 84, 85, 86,
&end
#
# 5 LEU QD2 50 VAL HA 4.61 (#peak 1323 #SUP 1.00)
&rst
ixpk= 1323, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 88, 89, 90,
&end
#
# 5 LEU HB3 50 VAL HA 4.96 (#peak 1324 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1324, nxpk= 0, iat= 80, 814, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 50 VAL HA 51 ARG HG3 5.50 (#peak 1325 #SUP 0.78 #QF 0.47)
&rst
ixpk= 1325, nxpk= 0, iat= 814, 836, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 VAL HA 54 ILE HG13 5.50 (#peak 1325 #SUP 0.78 #QF 0.47)
&rst
ixpk= 1325, nxpk= 0, iat= 814, 885, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 VAL HB 53 ALA HN 5.50 (#peak 1331 #SUP 0.65 #QF 0.65)
&rst
ixpk= 1331, nxpk= 0, iat= 816, 864, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 GLN HN 50 VAL HB 5.50 (#peak 1332 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1332, nxpk= 0, iat= 784, 816, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 LEU HN 50 VAL QG2 4.37 (#peak 1339 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1339, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 822, 823, 824,
&end
#
# 44 PHE HN 50 VAL QG2 4.31 (#peak 1340 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1340, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 822, 823, 824,
&end
#
# 50 VAL QG2 72 SER HN 4.48 (#peak 1341 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1341, nxpk= 0, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 822, 823, 824,
&end
#
# 45 ASP HN 50 VAL QG2 4.47 (#peak 1342 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1342, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 822, 823, 824,
&end
#
# 4 ARG HN 50 VAL QG2 4.06 (#peak 1343 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1343, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 822, 823, 824,
&end
#
# 46 ASN HN 50 VAL QG2 4.98 (#peak 1344 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1344, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 822, 823, 824,
&end
#
# 44 PHE QD 50 VAL QG2 3.38 (#peak 1345 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1345, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 732, 740,
igr2= 822, 823, 824,
&end
#
# 50 VAL QG2 51 ARG HN 3.68 (#peak 1346 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1346, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 822, 823, 824,
&end
#
# 44 PHE HA 50 VAL QG2 4.62 (#peak 1347 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1347, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 822, 823, 824,
&end
#
# 4 ARG HA 50 VAL QG2 4.32 (#peak 1348 #SUP 1.00)
&rst
ixpk= 1348, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 822, 823, 824,
&end
#
# 45 ASP HA 50 VAL QG2 5.34 (#peak 1349 #SUP 1.00 #QF 0.98)
&rst
ixpk= 1349, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 822, 823, 824,
&end
#
# 46 ASN HA 50 VAL QG2 5.50 (#peak 1349 #SUP 1.00 #QF 0.98)
&rst
ixpk= 1349, nxpk= 0, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 822, 823, 824,
&end
#
# 5 LEU HA 50 VAL QG2 3.87 (#peak 1350 #SUP 0.59 #QF 0.59)
&rst
ixpk= 1350, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 822, 823, 824,
&end
#
# 3 SER HA 50 VAL QG2 3.66 (#peak 1351 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1351, nxpk= 0, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 822, 823, 824,
&end
#
# 50 VAL QG2 71 VAL HA 4.13 (#peak 1352 #SUP 0.53 #QF 0.53)
&rst
ixpk= 1352, nxpk= 0, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 822, 823, 824,
&end
#
# 44 PHE QB 50 VAL QG2 3.52 (#peak 1353 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1353, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 728, 729,
igr2= 822, 823, 824,
&end
#
# 50 VAL HA 50 VAL QG2 3.21 (#peak 1354 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1354, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 822, 823, 824,
&end
#
# 5 LEU HB3 50 VAL QG2 4.16 (#peak 1358 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1358, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 822, 823, 824,
&end
#
# 50 VAL HN 50 VAL QG1 3.79 (#peak 1364 #SUP 1.00)
&rst
ixpk= 1364, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 818, 819, 820,
&end
#
# 6 PHE HN 50 VAL QG1 4.29 (#peak 1365 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1365, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 818, 819, 820,
&end
#
# 5 LEU HN 50 VAL QG1 4.66 (#peak 1366 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1366, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 818, 819, 820,
&end
#
# 50 VAL QG1 72 SER HN 3.97 (#peak 1367 #SUP 0.59 #QF 0.59)
&rst
ixpk= 1367, nxpk= 0, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 818, 819, 820,
&end
#
# 50 VAL QG1 54 ILE HN 4.54 (#peak 1368 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1368, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 818, 819, 820,
&end
#
# 44 PHE QD 50 VAL QG1 4.64 (#peak 1369 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1369, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 732, 740,
igr2= 818, 819, 820,
&end
#
# 50 VAL QG1 51 ARG HN 3.76 (#peak 1370 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1370, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 818, 819, 820,
&end
#
# 5 LEU HA 50 VAL QG1 3.26 (#peak 1371 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1371, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 818, 819, 820,
&end
#
# 50 VAL QG1 71 VAL HA 3.37 (#peak 1373 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1373, nxpk= 0, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 818, 819, 820,
&end
#
# 44 PHE QB 50 VAL QG1 4.30 (#peak 1375 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1375, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 728, 729,
igr2= 818, 819, 820,
&end
#
# 50 VAL HA 50 VAL QG1 3.19 (#peak 1376 #SUP 1.00)
&rst
ixpk= 1376, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 818, 819, 820,
&end
#
# 50 VAL QG1 71 VAL HB 3.33 (#peak 1378 #SUP 0.45 #QF 0.45)
&rst
ixpk= 1378, nxpk= 0, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 818, 819, 820,
&end
#
# 50 VAL QG1 51 ARG HG2 4.73 (#peak 1380 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1380, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 818, 819, 820,
&end
#
# 5 LEU HB2 50 VAL QG1 3.45 (#peak 1381 #SUP 0.67 #QF 0.67)
&rst
ixpk= 1381, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 818, 819, 820,
&end
#
# 50 VAL QG1 54 ILE QD1 3.03 (#peak 1383 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1383, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 818, 819, 820,
igr2= 887, 888, 889,
&end
#
# 50 VAL QG1 54 ILE HG12 3.97 (#peak 1384 #SUP 0.59 #QF 0.59)
&rst
ixpk= 1384, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 818, 819, 820,
&end
#
# 51 ARG QB 55 GLU HN 4.67 (#peak 1390 #SUP 0.63 #QF 0.63)
&rst
ixpk= 1390, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 832, 833,
&end
#
# 51 ARG QB 54 ILE QD1 4.53 (#peak 1398 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1398, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 832, 833,
igr2= 887, 888, 889,
&end
#
# 51 ARG QB 51 ARG HD3 3.54 (#peak 1400 #SUP 1.00)
&rst
ixpk= 1400, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 832, 833,
&end
#
# 22 ARG HN 22 ARG HG3 4.38 (#peak 1412 #SUP 0.98 #QF 0.93)
&rst
ixpk= 1412, nxpk= 0, iat= 357, 365, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 48 GLN HN 51 ARG HG3 4.84 (#peak 1412 #SUP 0.98 #QF 0.93)
&rst
ixpk= 1412, nxpk= 0, iat= 784, 836, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 51 ARG HN 51 ARG HG3 4.04 (#peak 1413 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1413, nxpk= 0, iat= 828, 836, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 22 ARG HG3 23 ILE HN 4.78 (#peak 1414 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1414, nxpk= 0, iat= 365, 381, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 48 GLN HA 51 ARG HG3 3.95 (#peak 1416 #SUP 0.96 #QF 0.76)
&rst
ixpk= 1416, nxpk= 0, iat= 786, 836, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 50 VAL QG2 51 ARG HG3 5.32 (#peak 1419 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1419, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 822, 823, 824,
&end
#
# 51 ARG HG3 54 ILE QD1 5.12 (#peak 1420 #SUP 0.52 #QF 0.52)
&rst
ixpk= 1420, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 887, 888, 889,
&end
#
# 22 ARG HG3 23 ILE HB 5.16 (#peak 1421 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1421, nxpk= 0, iat= 365, 385, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 51 ARG HG3 52 ASP HN 4.95 (#peak 1422 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1422, nxpk= 0, iat= 836, 852, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 52 ASP HA 56 CYS HN 3.84 (#peak 1424 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1424, nxpk= 0, iat= 854, 908, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 52 ASP HA 55 GLU QB 3.09 (#peak 1430 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1430, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 897, 898,
&end
#
# 52 ASP HA 54 ILE QD1 5.50 (#peak 1434 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1434, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 887, 888, 889,
&end
#
# 52 ASP HN 52 ASP HB3 3.76 (#peak 1436 #SUP 1.00)
&rst
ixpk= 1436, nxpk= 0, iat= 852, 857, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 52 ASP HB3 53 ALA HN 4.20 (#peak 1437 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1437, nxpk= 0, iat= 857, 864, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 27 TYR QD 52 ASP HB3 4.35 (#peak 1438 #SUP 0.57 #QF 0.57)
&rst
ixpk= 1438, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 453, 462,
&end
#
# 49 SER HA 52 ASP HB3 4.62 (#peak 1441 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1441, nxpk= 0, iat= 803, 857, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 51 ARG HD2 52 ASP HB3 5.34 (#peak 1442 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1442, nxpk= 0, iat= 838, 857, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 52 ASP HB3 55 GLU QB 5.05 (#peak 1444 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1444, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 897, 898,
&end
#
# 52 ASP HB3 53 ALA QB 4.90 (#peak 1446 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1446, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 868, 869, 870,
&end
#
# 53 ALA HA 57 GLU HN 4.37 (#peak 1448 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1448, nxpk= 0, iat= 866, 919, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 27 TYR QD 53 ALA HA 4.26 (#peak 1450 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1450, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 453, 462,
&end
#
# 27 TYR QE 53 ALA HA 4.98 (#peak 1451 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1451, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 455, 460,
&end
#
# 53 ALA HA 56 CYS HB2 5.08 (#peak 1452 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1452, nxpk= 0, iat= 866, 912, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 53 ALA HA 56 CYS HB3 4.23 (#peak 1453 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1453, nxpk= 0, iat= 866, 913, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 52 ASP HB2 53 ALA HA 4.37 (#peak 1454 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1454, nxpk= 0, iat= 856, 866, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 53 ALA HA 57 GLU HB2 4.74 (#peak 1456 #SUP 0.60 #QF 0.60)
&rst
ixpk= 1456, nxpk= 0, iat= 866, 923, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 52 ASP HN 53 ALA QB 4.75 (#peak 1461 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1461, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 868, 869, 870,
&end
#
# 53 ALA QB 55 GLU HN 4.77 (#peak 1462 #SUP 0.58 #QF 0.58)
&rst
ixpk= 1462, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 868, 869, 870,
&end
#
# 53 ALA QB 54 ILE HN 3.45 (#peak 1463 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1463, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 868, 869, 870,
&end
#
# 24 PHE QD 53 ALA QB 3.18 (#peak 1464 #SUP 0.72 #QF 0.72)
&rst
ixpk= 1464, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 408, 416,
igr2= 868, 869, 870,
&end
#
# 44 PHE QD 53 ALA QB 3.84 (#peak 1467 #SUP 0.65 #QF 0.65)
&rst
ixpk= 1467, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 732, 740,
igr2= 868, 869, 870,
&end
#
# 24 PHE HA 53 ALA QB 4.50 (#peak 1468 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1468, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 868, 869, 870,
&end
#
# 51 ARG HA 53 ALA QB 4.92 (#peak 1470 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1470, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 868, 869, 870,
&end
#
# 27 TYR HB3 53 ALA QB 3.90 (#peak 1472 #SUP 0.93 #QF 0.82)
&rst
ixpk= 1472, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 868, 869, 870,
&end
#
# 53 ALA QB 54 ILE HA 4.35 (#peak 1472 #SUP 0.93 #QF 0.82)
&rst
ixpk= 1472, nxpk= 0, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 868, 869, 870,
&end
#
# 50 VAL HA 53 ALA QB 3.50 (#peak 1473 #SUP 1.00)
&rst
ixpk= 1473, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 868, 869, 870,
&end
#
# 27 TYR HB2 53 ALA QB 3.77 (#peak 1474 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1474, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 868, 869, 870,
&end
#
# 24 PHE HB2 53 ALA QB 4.30 (#peak 1475 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1475, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 868, 869, 870,
&end
#
# 52 ASP HB2 53 ALA QB 4.69 (#peak 1475 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1475, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 868, 869, 870,
&end
#
# 50 VAL HB 53 ALA QB 5.11 (#peak 1477 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1477, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 868, 869, 870,
&end
#
# 5 LEU QD1 53 ALA QB 3.50 (#peak 1481 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1481, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 84, 85, 86,
igr2= 868, 869, 870,
&end
#
# 7 ILE QD1 53 ALA QB 4.73 (#peak 1483 #SUP 0.98 #QF 0.78)
&rst
ixpk= 1483, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 127, 128, 129,
igr2= 868, 869, 870,
&end
#
# 23 ILE QD1 53 ALA QB 5.15 (#peak 1483 #SUP 0.98 #QF 0.78)
&rst
ixpk= 1483, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1= 394, 395, 396,
igr2= 868, 869, 870,
&end
#
# 5 LEU QD2 53 ALA QB 3.50 (#peak 1484 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1484, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 88, 89, 90,
igr2= 868, 869, 870,
&end
#
# 54 ILE HA 58 SER QB 4.60 (#peak 1490 #SUP 0.45 #QF 0.45)
&rst
ixpk= 1490, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 938, 939,
&end
#
# 54 ILE HA 55 GLU QB 5.43 (#peak 1491 #SUP 1.00)
&rst
ixpk= 1491, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 897, 898,
&end
#
# 54 ILE HA 54 ILE QG2 3.02 (#peak 1494 #SUP 0.66 #QF 0.66)
&rst
ixpk= 1494, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 880, 881, 882,
&end
#
# 54 ILE HA 54 ILE HG12 3.82 (#peak 1496 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1496, nxpk= 0, iat= 876, 884, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 54 ILE HN 54 ILE HB 3.59 (#peak 1497 #SUP 1.00)
&rst
ixpk= 1497, nxpk= 0, iat= 874, 878, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 54 ILE HB 55 GLU HA 4.60 (#peak 1500 #SUP 1.00)
&rst
ixpk= 1500, nxpk= 0, iat= 878, 895, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 51 ARG HA 54 ILE HB 4.39 (#peak 1501 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1501, nxpk= 0, iat= 830, 878, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 54 ILE HB 54 ILE QD1 3.53 (#peak 1506 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1506, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 887, 888, 889,
&end
#
# 53 ALA QB 54 ILE HB 4.61 (#peak 1507 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1507, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 868, 869, 870,
&end
#
# 54 ILE HN 54 ILE QG2 3.73 (#peak 1508 #SUP 1.00)
&rst
ixpk= 1508, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 880, 881, 882,
&end
#
# 54 ILE QG2 55 GLU HN 3.69 (#peak 1510 #SUP 1.00)
&rst
ixpk= 1510, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 880, 881, 882,
&end
#
# 54 ILE QG2 58 SER HN 4.61 (#peak 1511 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1511, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 880, 881, 882,
&end
#
# 54 ILE QG2 69 LEU HA 4.46 (#peak 1512 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1512, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 880, 881, 882,
&end
#
# 54 ILE QG2 55 GLU HA 4.32 (#peak 1514 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1514, nxpk= 0, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 880, 881, 882,
&end
#
# 54 ILE QG2 69 LEU HB2 3.19 (#peak 1518 #SUP 0.95 #QF 0.82)
&rst
ixpk= 1518, nxpk= 0, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 880, 881, 882,
&end
#
# 54 ILE QG2 69 LEU HB3 3.42 (#peak 1519 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1519, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 880, 881, 882,
&end
#
# 54 ILE QG2 54 ILE QD1 3.10 (#peak 1521 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1521, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 880, 881, 882,
igr2= 887, 888, 889,
&end
#
# 54 ILE HN 54 ILE HG13 3.95 (#peak 1524 #SUP 1.00)
&rst
ixpk= 1524, nxpk= 0, iat= 874, 885, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 54 ILE HN 54 ILE HG12 4.24 (#peak 1525 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1525, nxpk= 0, iat= 874, 884, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 54 ILE QG2 54 ILE HG12 3.58 (#peak 1528 #SUP 1.00 #QF 0.87)
&rst
ixpk= 1528, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 880, 881, 882,
&end
#
# 54 ILE HG13 58 SER HN 5.50 (#peak 1531 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1531, nxpk= 0, iat= 885, 934, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 PHE QD 54 ILE HG13 5.50 (#peak 1532 #SUP 0.32 #QF 0.32)
&rst
ixpk= 1532, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 732, 740,
&end
#
# 54 ILE HA 54 ILE HG13 4.19 (#peak 1537 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1537, nxpk= 0, iat= 876, 885, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 53 ALA QB 54 ILE HG13 3.78 (#peak 1540 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1540, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 868, 869, 870,
&end
#
# 50 VAL QG2 54 ILE HG13 5.50 (#peak 1541 #SUP 0.59 #QF 0.59)
&rst
ixpk= 1541, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 822, 823, 824,
&end
#
# 54 ILE QD1 70 GLU HN 4.69 (#peak 1547 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1547, nxpk= 0, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 887, 888, 889,
&end
#
# 54 ILE QD1 71 VAL HN 4.62 (#peak 1548 #SUP 0.66 #QF 0.66)
&rst
ixpk= 1548, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 887, 888, 889,
&end
#
# 54 ILE QD1 55 GLU HN 4.37 (#peak 1549 #SUP 1.00)
&rst
ixpk= 1549, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 887, 888, 889,
&end
#
# 6 PHE HN 54 ILE QD1 4.91 (#peak 1550 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1550, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 887, 888, 889,
&end
#
# 54 ILE QD1 71 VAL HA 4.06 (#peak 1551 #SUP 1.00)
&rst
ixpk= 1551, nxpk= 0, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 887, 888, 889,
&end
#
# 54 ILE HA 54 ILE QD1 3.95 (#peak 1553 #SUP 1.00)
&rst
ixpk= 1553, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 887, 888, 889,
&end
#
# 50 VAL HA 54 ILE QD1 4.44 (#peak 1554 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1554, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 887, 888, 889,
&end
#
# 50 VAL HB 54 ILE QD1 4.40 (#peak 1555 #SUP 0.97 #QF 0.94)
&rst
ixpk= 1555, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 887, 888, 889,
&end
#
# 54 ILE QD1 55 GLU HG3 4.87 (#peak 1555 #SUP 0.97 #QF 0.94)
&rst
ixpk= 1555, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 887, 888, 889,
&end
#
# 54 ILE QD1 55 GLU QB 4.69 (#peak 1556 #SUP 1.00)
&rst
ixpk= 1556, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 887, 888, 889,
igr2= 897, 898,
&end
#
# 54 ILE QD1 69 LEU HB2 3.58 (#peak 1557 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1557, nxpk= 0, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 887, 888, 889,
&end
#
# 53 ALA QB 54 ILE QD1 3.74 (#peak 1558 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1558, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 868, 869, 870,
igr2= 887, 888, 889,
&end
#
# 5 LEU QD1 54 ILE QD1 4.11 (#peak 1559 #SUP 0.99 #QF 0.63)
&rst
ixpk= 1559, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 84, 85, 86,
igr2= 887, 888, 889,
&end
#
# 5 LEU QD2 54 ILE QD1 4.11 (#peak 1561 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1561, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 88, 89, 90,
igr2= 887, 888, 889,
&end
#
# 55 GLU HA 55 GLU HG2 3.15 (#peak 1565 #SUP 0.72 #QF 0.72)
&rst
ixpk= 1565, nxpk= 0, iat= 895, 900, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 55 GLU HA 55 GLU QB 2.80 (#peak 1566 #SUP 1.00)
&rst
ixpk= 1566, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 897, 898,
&end
#
# 54 ILE QD1 55 GLU HA 5.14 (#peak 1571 #SUP 1.00)
&rst
ixpk= 1571, nxpk= 0, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 887, 888, 889,
&end
#
# 55 GLU QB 56 CYS HB2 3.78 (#peak 1578 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1578, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 897, 898,
&end
#
# 55 GLU QB 69 LEU QD1 5.34 (#peak 1581 #SUP 0.95 #QF 0.93)
&rst
ixpk= 1581, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 897, 898,
igr2=1126,1127,1128,
&end
#
# 55 GLU QB 69 LEU QD2 5.34 (#peak 1581 #SUP 0.95 #QF 0.93)
&rst
ixpk= 1581, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 897, 898,
igr2=1130,1131,1132,
&end
#
# 55 GLU HN 55 GLU HG3 3.75 (#peak 1584 #SUP 1.00)
&rst
ixpk= 1584, nxpk= 0, iat= 893, 901, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 52 ASP HA 55 GLU HG3 3.94 (#peak 1586 #SUP 1.00)
&rst
ixpk= 1586, nxpk= 0, iat= 854, 901, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 55 GLU HA 55 GLU HG3 3.93 (#peak 1587 #SUP 1.00)
&rst
ixpk= 1587, nxpk= 0, iat= 895, 901, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 51 ARG HD3 55 GLU HG3 4.45 (#peak 1589 #SUP 0.52 #QF 0.52)
&rst
ixpk= 1589, nxpk= 0, iat= 839, 901, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 55 GLU HG3 69 LEU QD1 5.50 (#peak 1596 #SUP 0.85 #QF 0.21)
&rst
ixpk= 1596, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1126,1127,1128,
&end
#
# 55 GLU HG3 69 LEU QD2 5.50 (#peak 1596 #SUP 0.85 #QF 0.21)
&rst
ixpk= 1596, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1130,1131,1132,
&end
#
# 54 ILE QG2 55 GLU HG2 4.98 (#peak 1597 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1597, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 880, 881, 882,
&end
#
# 55 GLU QB 55 GLU HG2 2.82 (#peak 1598 #SUP 1.00)
&rst
ixpk= 1598, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1= 897, 898,
&end
#
# 56 CYS HN 56 CYS HB2 3.46 (#peak 1600 #SUP 0.97 #QF 0.63)
&rst
ixpk= 1600, nxpk= 0, iat= 908, 912, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 27 TYR QE 56 CYS HB3 4.09 (#peak 1601 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1601, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 455, 460,
&end
#
# 27 TYR QE 56 CYS HB2 3.92 (#peak 1602 #SUP 0.72 #QF 0.72)
&rst
ixpk= 1602, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 455, 460,
&end
#
# 55 GLU QB 56 CYS HB3 4.93 (#peak 1612 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1612, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 897, 898,
&end
#
# 57 GLU HN 57 GLU HB2 3.94 (#peak 1634 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1634, nxpk= 0, iat= 919, 923, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 57 GLU HB3 59 GLN HN 5.22 (#peak 1635 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1635, nxpk= 0, iat= 924, 945, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 53 ALA QB 57 GLU HB2 5.24 (#peak 1644 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1644, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 868, 869, 870,
&end
#
# 58 SER HA 58 SER QB 2.86 (#peak 1653 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1653, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 938, 939,
&end
#
# 57 GLU HB3 58 SER QB 4.73 (#peak 1667 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1667, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 938, 939,
&end
#
# 58 SER QB 69 LEU HB2 4.65 (#peak 1668 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1668, nxpk= 0, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 938, 939,
&end
#
# 27 TYR HA 27 TYR QD 3.86 (#peak 1691 #SUP 0.82 #QF 0.59)
&rst
ixpk= 1691, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 453, 462,
&end
#
# 24 PHE HA 27 TYR HA 5.37 (#peak 1692 #SUP 0.51 #QF 0.51)
&rst
ixpk= 1692, nxpk= 0, iat= 402, 447, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 63 PHE HN 64 GLY HA3 5.32 (#peak 1705 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1705, nxpk= 0, iat=1008,1031, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 63 PHE HN 64 GLY HA2 5.32 (#peak 1710 #SUP 0.66 #QF 0.66)
&rst
ixpk= 1710, nxpk= 0, iat=1008,1030, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 69 LEU HA 69 LEU QD1 3.94 (#peak 1732 #SUP 1.00 #QF 0.30)
&rst
ixpk= 1732, nxpk= 0, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1126,1127,1128,
&end
#
# 69 LEU HN 69 LEU HB2 4.02 (#peak 1734 #SUP 1.00)
&rst
ixpk= 1734, nxpk= 0, iat=1117,1121, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 54 ILE HG12 69 LEU HB2 4.24 (#peak 1741 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1741, nxpk= 0, iat= 884,1121, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 54 ILE HA 69 LEU HB3 5.50 (#peak 1746 #SUP 0.52 #QF 0.52)
&rst
ixpk= 1746, nxpk= 0, iat= 876,1122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 ILE HG12 69 LEU HB3 4.57 (#peak 1751 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1751, nxpk= 0, iat= 884,1122, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 69 LEU HB2 69 LEU QD1 3.33 (#peak 1763 #SUP 1.00)
&rst
ixpk= 1763, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1126,1127,1128,
&end
#
# 69 LEU HB3 69 LEU QD1 3.17 (#peak 1765 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1765, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1126,1127,1128,
&end
#
# 69 LEU HN 69 LEU QD2 4.16 (#peak 1769 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1769, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1130,1131,1132,
&end
#
# 69 LEU HA 69 LEU QD2 3.94 (#peak 1775 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1775, nxpk= 0, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1130,1131,1132,
&end
#
# 69 LEU HB2 69 LEU QD2 3.33 (#peak 1781 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1781, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1130,1131,1132,
&end
#
# 69 LEU HB3 69 LEU QD2 3.17 (#peak 1782 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1782, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1130,1131,1132,
&end
#
# 69 LEU HN 69 LEU HG 4.49 (#peak 1789 #SUP 1.00)
&rst
ixpk= 1789, nxpk= 0, iat=1117,1124, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 55 GLU HA 69 LEU HG 4.38 (#peak 1792 #SUP 0.28 #QF 0.28)
&rst
ixpk= 1792, nxpk= 0, iat= 895,1124, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 54 ILE HB 69 LEU HG 2.80 (#peak 1796 #SUP 0.22 #QF 0.22)
&rst
ixpk= 1796, nxpk= 0, iat= 878,1124, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 71 VAL HN 71 VAL HB 3.64 (#peak 1808 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1808, nxpk= 0, iat=1151,1155, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 51 ARG HA 71 VAL QG1 4.52 (#peak 1824 #SUP 0.89 #QF 0.37)
&rst
ixpk= 1824, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1157,1158,1159,
&end
#
# 51 ARG HA 71 VAL QG2 4.52 (#peak 1824 #SUP 0.89 #QF 0.37)
&rst
ixpk= 1824, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1161,1162,1163,
&end
#
# 54 ILE QD1 71 VAL QG1 3.97 (#peak 1833 #SUP 0.78 #QF 0.27)
&rst
ixpk= 1833, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 887, 888, 889,
igr2=1157,1158,1159,
&end
#
# 54 ILE QD1 71 VAL QG2 3.97 (#peak 1833 #SUP 0.78 #QF 0.27)
&rst
ixpk= 1833, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 887, 888, 889,
igr2=1161,1162,1163,
&end
#
# 52 ASP HA 56 CYS HB2 4.10 (#peak 1841 #SUP 0.48 #QF 0.48)
&rst
ixpk= 1841, nxpk= 0, iat= 854, 912, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 51 ARG QB 52 ASP HA 4.01 (#peak 1844 #SUP 0.43 #QF 0.43)
&rst
ixpk= 1844, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 832, 833,
&end
#
# 6 PHE HN 71 VAL HA 4.42 (#peak 1846 #SUP 0.51 #QF 0.51)
&rst
ixpk= 1846, nxpk= 0, iat= 94,1153, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 47 PRO HD2 48 GLN HG3 4.16 (#peak 1866 #SUP 0.83 #QF 0.73)
&rst
ixpk= 1866, nxpk= 0, iat= 771, 792, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 4 ARG HA 44 PHE QD 5.19 (#peak 1878 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1878, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 732, 740,
&end
#
# 4 ARG HA 5 LEU HB3 4.83 (#peak 1883 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1883, nxpk= 0, iat= 53, 80, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 4 ARG HA 5 LEU HB2 4.43 (#peak 1884 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1884, nxpk= 0, iat= 53, 79, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 4 ARG HA 50 VAL QG1 5.35 (#peak 1887 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1887, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 818, 819, 820,
&end
#
# 11 PRO HA 12 LEU HA 4.60 (#peak 1890 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1890, nxpk= 0, iat= 183, 189, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 7 ILE HB 11 PRO HD3 4.05 (#peak 1905 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1905, nxpk= 0, iat= 118, 175, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 7 ILE HB 11 PRO HD2 3.99 (#peak 1916 #SUP 0.68 #QF 0.68)
&rst
ixpk= 1916, nxpk= 0, iat= 118, 174, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 20 LEU HA 20 LEU QD1 4.09 (#peak 1926 #SUP 1.00)
&rst
ixpk= 1926, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 327, 328, 329,
&end
#
# 20 LEU QD1 21 PHE HB3 5.22 (#peak 1928 #SUP 0.98 #QF 0.96)
&rst
ixpk= 1928, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 327, 328, 329,
&end
#
# 20 LEU QD1 21 PHE HB2 5.11 (#peak 1931 #SUP 0.70 #QF 0.70)
&rst
ixpk= 1931, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 327, 328, 329,
&end
#
# 20 LEU HB2 20 LEU QD1 3.60 (#peak 1932 #SUP 1.00)
&rst
ixpk= 1932, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 327, 328, 329,
&end
#
# 20 LEU HB3 20 LEU QD1 3.60 (#peak 1934 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1934, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 327, 328, 329,
&end
#
# 20 LEU QD1 42 ILE QG2 4.73 (#peak 1939 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1939, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 327, 328, 329,
igr2= 694, 695, 696,
&end
#
# 20 LEU HN 21 PHE HB3 5.50 (#peak 1944 #SUP 0.94 #QF 0.77)
&rst
ixpk= 1944, nxpk= 0, iat= 318, 342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE HB3 22 ARG HG2 5.50 (#peak 1958 #SUP 0.97 #QF 0.55)
&rst
ixpk= 1958, nxpk= 0, iat= 342, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE HB3 23 ILE HG13 5.50 (#peak 1958 #SUP 0.97 #QF 0.55)
&rst
ixpk= 1958, nxpk= 0, iat= 342, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE HB2 30 ILE QD1 4.38 (#peak 1961 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1961, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 503, 504, 505,
&end
#
# 19 ASP HA 22 ARG HG2 3.96 (#peak 1967 #SUP 0.35 #QF 0.35)
&rst
ixpk= 1967, nxpk= 0, iat= 308, 364, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 51 ARG HA 51 ARG HG2 3.85 (#peak 1969 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1969, nxpk= 0, iat= 830, 835, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 21 PHE HN 23 ILE HG13 4.89 (#peak 1983 #SUP 0.59 #QF 0.59)
&rst
ixpk= 1983, nxpk= 0, iat= 337, 392, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 22 ARG HN 23 ILE HG13 4.37 (#peak 1984 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1984, nxpk= 0, iat= 357, 392, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 23 ILE HA 23 ILE HG13 3.72 (#peak 1992 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1992, nxpk= 0, iat= 383, 392, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 23 ILE QG2 23 ILE HG13 3.89 (#peak 2000 #SUP 1.00)
&rst
ixpk= 2000, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 387, 388, 389,
&end
#
# 24 PHE HA 27 TYR QD 3.19 (#peak 2015 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2015, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 453, 462,
&end
#
# 24 PHE HA 27 TYR QE 4.32 (#peak 2016 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2016, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 455, 460,
&end
#
# 24 PHE HA 25 SER HA 4.82 (#peak 2020 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2020, nxpk= 0, iat= 402, 422, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 24 PHE HA 57 GLU HB2 5.50 (#peak 2025 #SUP 0.55 #QF 0.55)
&rst
ixpk= 2025, nxpk= 0, iat= 402, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ILE HB 24 PHE HA 5.01 (#peak 2026 #SUP 0.99 #QF 0.90)
&rst
ixpk= 2026, nxpk= 0, iat= 385, 402, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 23 ILE QD1 24 PHE HA 4.07 (#peak 2027 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2027, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 394, 395, 396,
&end
#
# 49 SER HA 52 ASP HB2 3.75 (#peak 2038 #SUP 0.76 #QF 0.76)
&rst
ixpk= 2038, nxpk= 0, iat= 803, 856, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 51 ARG HD2 52 ASP HB2 4.49 (#peak 2040 #SUP 0.65 #QF 0.65)
&rst
ixpk= 2040, nxpk= 0, iat= 838, 856, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 23 ILE QG2 24 PHE HB2 5.50 (#peak 2049 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2049, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 387, 388, 389,
&end
#
# 24 PHE HB3 25 SER HN 4.41 (#peak 2051 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2051, nxpk= 0, iat= 405, 420, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 24 PHE HB3 44 PHE QD 4.40 (#peak 2055 #SUP 0.73 #QF 0.73)
&rst
ixpk= 2055, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 732, 740,
&end
#
# 24 PHE HB3 28 GLY HA3 4.93 (#peak 2058 #SUP 0.60 #QF 0.60)
&rst
ixpk= 2058, nxpk= 0, iat= 405, 469, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 24 PHE HB3 53 ALA QB 4.56 (#peak 2063 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2063, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 868, 869, 870,
&end
#
# 23 ILE QD1 24 PHE HB3 3.64 (#peak 2064 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2064, nxpk= 0, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 394, 395, 396,
&end
#
# 26 PRO HB3 27 TYR QD 5.40 (#peak 2066 #SUP 0.99 #QF 0.98)
&rst
ixpk= 2066, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 453, 462,
&end
#
# 26 PRO HB2 27 TYR QD 5.11 (#peak 2073 #SUP 1.00)
&rst
ixpk= 2073, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 453, 462,
&end
#
# 26 PRO HB2 27 TYR HA 4.38 (#peak 2075 #SUP 0.82 #QF 0.82)
&rst
ixpk= 2075, nxpk= 0, iat= 438, 447, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 26 PRO HD3 27 TYR HN 4.38 (#peak 2084 #SUP 0.92 #QF 0.67)
&rst
ixpk= 2084, nxpk= 0, iat= 433, 445, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 26 PRO HD3 27 TYR QD 4.77 (#peak 2084 #SUP 0.92 #QF 0.67)
&rst
ixpk= 2084, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 453, 462,
&end
#
# 26 PRO HD2 27 TYR HN 4.80 (#peak 2085 #SUP 0.96 #QF 0.76)
&rst
ixpk= 2085, nxpk= 0, iat= 432, 445, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 26 PRO HD2 27 TYR QD 5.02 (#peak 2085 #SUP 0.96 #QF 0.76)
&rst
ixpk= 2085, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 453, 462,
&end
#
# 24 PHE HA 26 PRO HD2 4.14 (#peak 2086 #SUP 0.73 #QF 0.73)
&rst
ixpk= 2086, nxpk= 0, iat= 402, 432, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 24 PHE HA 26 PRO HD3 5.42 (#peak 2087 #SUP 0.82 #QF 0.82)
&rst
ixpk= 2087, nxpk= 0, iat= 402, 433, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 27 TYR HB3 49 SER HA 5.38 (#peak 2109 #SUP 0.68 #QF 0.68)
&rst
ixpk= 2109, nxpk= 0, iat= 450, 803, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 24 PHE HA 27 TYR HB3 4.58 (#peak 2111 #SUP 0.69 #QF 0.69)
&rst
ixpk= 2111, nxpk= 0, iat= 402, 450, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 28 GLY HA3 44 PHE QD 4.11 (#peak 2119 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2119, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 732, 740,
&end
#
# 28 GLY HA3 49 SER HB2 4.64 (#peak 2122 #SUP 0.83 #QF 0.83)
&rst
ixpk= 2122, nxpk= 0, iat= 469, 805, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 28 GLY HA3 49 SER HB3 4.64 (#peak 2123 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2123, nxpk= 0, iat= 469, 806, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 55 GLU QB 56 CYS HN 3.03 (#peak 2203 #SUP 0.99 #QF 0.97)
&rst
ixpk= 2203, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 897, 898,
&end
#
# 51 ARG HG3 51 ARG HD3 3.01 (#peak 2214 #SUP 0.79 #QF 0.79)
&rst
ixpk= 2214, nxpk= 0, iat= 836, 839, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 51 ARG HG2 51 ARG HD3 2.97 (#peak 2216 #SUP 0.79 #QF 0.79)
&rst
ixpk= 2216, nxpk= 0, iat= 835, 839, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 51 ARG HA 51 ARG HD3 4.66 (#peak 2220 #SUP 0.75 #QF 0.75)
&rst
ixpk= 2220, nxpk= 0, iat= 830, 839, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 48 GLN HA 51 ARG HD3 3.81 (#peak 2221 #SUP 0.35 #QF 0.35)
&rst
ixpk= 2221, nxpk= 0, iat= 786, 839, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 51 ARG HD3 52 ASP HA 4.80 (#peak 2222 #SUP 0.51 #QF 0.51)
&rst
ixpk= 2222, nxpk= 0, iat= 839, 854, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 51 ARG HN 51 ARG HD3 4.68 (#peak 2227 #SUP 0.79 #QF 0.79)
&rst
ixpk= 2227, nxpk= 0, iat= 828, 839, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 48 GLN HB2 48 GLN HG3 3.00 (#peak 2306 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2306, nxpk= 0, iat= 788, 792, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 23 ILE HB 24 PHE QD 4.27 (#peak 2316 #SUP 1.00)
&rst
ixpk= 2316, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 408, 416,
&end
#
# 35 ILE HA 35 ILE QG1 3.11 (#peak 2392 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2392, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 586, 587,
&end
#
# 5 LEU HN 43 GLN H 4.69 (#peak 1 #SUP 0.62 #QF 0.62)
&rst
ixpk= 1, nxpk= 0, iat= 75, 707, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 35 ILE HA 36 LYS HN 3.13 (#peak 3 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3, nxpk= 0, iat= 578, 595, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 43 GLN HA 44 PHE HN 3.32 (#peak 8 #SUP 0.90 #QF 0.90)
&rst
ixpk= 8, nxpk= 0, iat= 709, 724, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 69 LEU HN 69 LEU HB3 3.49 (#peak 12 #SUP 0.88 #QF 0.88)
&rst
ixpk= 12, nxpk= 0, iat=1117,1122, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 69 LEU HN 69 LEU QD1 4.16 (#peak 13 #SUP 0.90 #QF 0.86)
&rst
ixpk= 13, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1126,1127,1128,
&end
#
# 5 LEU HA 6 PHE HN 3.17 (#peak 15 #SUP 0.88 #QF 0.88)
&rst
ixpk= 15, nxpk= 0, iat= 77, 94, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 5 LEU HG 6 PHE HN 4.12 (#peak 17 #SUP 0.58 #QF 0.58)
&rst
ixpk= 17, nxpk= 0, iat= 82, 94, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 42 ILE HA 43 GLN HN 3.06 (#peak 21 #SUP 1.00 #QF 0.97)
&rst
ixpk= 21, nxpk= 0, iat= 690, 707, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 6 PHE HA 7 ILE HN 3.26 (#peak 31 #SUP 0.95 #QF 0.95)
&rst
ixpk= 31, nxpk= 0, iat= 96, 114, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 6 PHE HB2 7 ILE HN 4.40 (#peak 32 #SUP 0.80 #QF 0.80)
&rst
ixpk= 32, nxpk= 0, iat= 98, 114, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 7 ILE HN 7 ILE HB 3.52 (#peak 33 #SUP 0.82 #QF 0.82)
&rst
ixpk= 33, nxpk= 0, iat= 114, 118, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 7 ILE HN 7 ILE QD1 3.91 (#peak 34 #SUP 0.66 #QF 0.66)
&rst
ixpk= 34, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 127, 128, 129,
&end
#
# 31 MET HN 32 GLN H 3.49 (#peak 41 #SUP 0.94 #QF 0.94)
&rst
ixpk= 41, nxpk= 0, iat= 509, 526, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 31 MET HN 44 PHE HA 4.03 (#peak 42 #SUP 0.95 #QF 0.95)
&rst
ixpk= 42, nxpk= 0, iat= 509, 726, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 34 ASN HN 42 ILE HG12 4.16 (#peak 48 #SUP 0.53 #QF 0.53)
&rst
ixpk= 48, nxpk= 0, iat= 562, 698, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 15 VAL HA 16 SER HN 2.82 (#peak 56 #SUP 0.92 #QF 0.92)
&rst
ixpk= 56, nxpk= 0, iat= 244, 258, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 16 SER HN 19 ASP HB2 4.28 (#peak 58 #SUP 1.00)
&rst
ixpk= 58, nxpk= 0, iat= 258, 310, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 16 SER HN 19 ASP HB3 4.28 (#peak 59 #SUP 0.94 #QF 0.94)
&rst
ixpk= 59, nxpk= 0, iat= 258, 311, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 15 VAL HB 16 SER HN 4.53 (#peak 60 #SUP 1.00)
&rst
ixpk= 60, nxpk= 0, iat= 246, 258, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 6 PHE HN 72 SER H 5.16 (#peak 64 #SUP 0.79 #QF 0.79)
&rst
ixpk= 64, nxpk= 0, iat= 94,1167, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 71 VAL HA 72 SER HN 3.25 (#peak 67 #SUP 0.78 #QF 0.53)
&rst
ixpk= 67, nxpk= 0, iat=1153,1167, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 72 SER HN 72 SER QB 3.68 (#peak 67 #SUP 0.78 #QF 0.53)
&rst
ixpk= 67, nxpk= 0, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1171,1172,
&end
#
# 20 LEU HN 21 PHE H 3.31 (#peak 79 #SUP 0.94 #QF 0.94)
&rst
ixpk= 79, nxpk= 0, iat= 318, 337, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 20 LEU HB2 21 PHE HN 4.15 (#peak 81 #SUP 0.70 #QF 0.70)
&rst
ixpk= 81, nxpk= 0, iat= 322, 337, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 52 ASP HN 53 ALA H 3.37 (#peak 85 #SUP 0.88 #QF 0.88)
&rst
ixpk= 85, nxpk= 0, iat= 852, 864, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 52 ASP HN 52 ASP HB2 3.04 (#peak 87 #SUP 0.71 #QF 0.71)
&rst
ixpk= 87, nxpk= 0, iat= 852, 856, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 51 ARG QB 52 ASP HN 3.08 (#peak 88 #SUP 0.82 #QF 0.82)
&rst
ixpk= 88, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 832, 833,
&end
#
# 21 PHE HN 22 ARG H 3.50 (#peak 89 #SUP 0.98 #QF 0.98)
&rst
ixpk= 89, nxpk= 0, iat= 337, 357, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 ARG HN 23 ILE H 3.40 (#peak 90 #SUP 0.97 #QF 0.97)
&rst
ixpk= 90, nxpk= 0, iat= 357, 381, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 6 PHE HN 70 GLU H 4.05 (#peak 91 #SUP 0.95 #QF 0.95)
&rst
ixpk= 91, nxpk= 0, iat= 94,1136, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 69 LEU HN 70 GLU H 4.63 (#peak 92 #SUP 0.80 #QF 0.80)
&rst
ixpk= 92, nxpk= 0, iat=1117,1136, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 69 LEU HB3 70 GLU HN 4.34 (#peak 94 #SUP 0.97 #QF 0.97)
&rst
ixpk= 94, nxpk= 0, iat=1122,1136, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 19 ASP HN 20 LEU H 3.40 (#peak 97 #SUP 0.97 #QF 0.97)
&rst
ixpk= 97, nxpk= 0, iat= 306, 318, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 19 ASP HN 19 ASP HB2 3.71 (#peak 99 #SUP 1.00)
&rst
ixpk= 99, nxpk= 0, iat= 306, 310, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 19 ASP HN 19 ASP HB3 3.71 (#peak 100 #SUP 0.95 #QF 0.95)
&rst
ixpk= 100, nxpk= 0, iat= 306, 311, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 29 HIS HN 44 PHE QD 4.61 (#peak 103 #SUP 0.81 #QF 0.81)
&rst
ixpk= 103, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 732, 740,
&end
#
# 24 PHE HN 25 SER H 3.37 (#peak 105 #SUP 0.90 #QF 0.90)
&rst
ixpk= 105, nxpk= 0, iat= 400, 420, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 25 SER HN 26 PRO HD2 3.16 (#peak 107 #SUP 0.57 #QF 0.57)
&rst
ixpk= 107, nxpk= 0, iat= 420, 432, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 11 PRO HA 12 LEU HN 3.29 (#peak 117 #SUP 0.95 #QF 0.95)
&rst
ixpk= 117, nxpk= 0, iat= 183, 187, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 51 ARG HN 51 ARG HD2 4.55 (#peak 130 #SUP 0.99 #QF 0.99)
&rst
ixpk= 130, nxpk= 0, iat= 828, 838, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 50 VAL HB 51 ARG HN 3.20 (#peak 131 #SUP 0.95 #QF 0.95)
&rst
ixpk= 131, nxpk= 0, iat= 816, 828, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 51 ARG HN 51 ARG QB 2.88 (#peak 132 #SUP 0.88 #QF 0.88)
&rst
ixpk= 132, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 832, 833,
&end
#
# 49 SER HN 50 VAL H 3.51 (#peak 143 #SUP 0.58 #QF 0.58)
&rst
ixpk= 143, nxpk= 0, iat= 801, 812, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 44 PHE QB 50 VAL HN 4.45 (#peak 146 #SUP 0.69 #QF 0.69)
&rst
ixpk= 146, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 728, 729,
&end
#
# 50 VAL HN 50 VAL HB 3.00 (#peak 147 #SUP 0.93 #QF 0.93)
&rst
ixpk= 147, nxpk= 0, iat= 812, 816, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 35 ILE QG2 41 PHE HN 4.39 (#peak 152 #SUP 0.79 #QF 0.79)
&rst
ixpk= 152, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 582, 583, 584,
&end
#
# 58 SER QB 59 GLN HN 3.87 (#peak 156 #SUP 1.00 #QF 0.99)
&rst
ixpk= 156, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 938, 939,
&end
#
# 39 PHE HN 39 PHE HB2 3.85 (#peak 157 #SUP 0.86 #QF 0.86)
&rst
ixpk= 157, nxpk= 0, iat= 641, 645, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 39 PHE HN 39 PHE HB3 3.85 (#peak 158 #SUP 0.61 #QF 0.61)
&rst
ixpk= 158, nxpk= 0, iat= 641, 646, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 44 PHE HA 45 ASP HN 3.39 (#peak 162 #SUP 0.97 #QF 0.97)
&rst
ixpk= 162, nxpk= 0, iat= 726, 744, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 58 SER HN 58 SER QB 3.14 (#peak 175 #SUP 0.81 #QF 0.81)
&rst
ixpk= 175, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 938, 939,
&end
#
# 22 ARG HG2 23 ILE HN 3.49 (#peak 181 #SUP 1.00 #QF 0.95)
&rst
ixpk= 181, nxpk= 0, iat= 364, 381, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 23 ILE HN 23 ILE QG2 3.79 (#peak 182 #SUP 0.99 #QF 0.99)
&rst
ixpk= 182, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 387, 388, 389,
&end
#
# 31 MET HB2 32 GLN HN 2.94 (#peak 187 #SUP 0.90 #QF 0.90)
&rst
ixpk= 187, nxpk= 0, iat= 513, 526, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 32 GLN HN 42 ILE QG2 4.95 (#peak 190 #SUP 0.94 #QF 0.94)
&rst
ixpk= 190, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 694, 695, 696,
&end
#
# 56 CYS HB3 57 GLU HN 3.24 (#peak 194 #SUP 0.44 #QF 0.44)
&rst
ixpk= 194, nxpk= 0, iat= 913, 919, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 1 PRO HB3 2 LYS HN 4.59 (#peak 200 #SUP 0.79 #QF 0.79)
&rst
ixpk= 200, nxpk= 0, iat= 12, 18, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 27 TYR HN 27 TYR HB3 3.80 (#peak 210 #SUP 0.93 #QF 0.93)
&rst
ixpk= 210, nxpk= 0, iat= 445, 450, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 27 TYR HN 27 TYR HB2 3.34 (#peak 211 #SUP 0.89 #QF 0.89)
&rst
ixpk= 211, nxpk= 0, iat= 445, 449, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 20 LEU HA 24 PHE HN 4.39 (#peak 214 #SUP 0.93 #QF 0.93)
&rst
ixpk= 214, nxpk= 0, iat= 320, 400, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 24 PHE HN 24 PHE HB3 4.20 (#peak 215 #SUP 0.98 #QF 0.96)
&rst
ixpk= 215, nxpk= 0, iat= 400, 405, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 23 ILE HG13 24 PHE HN 4.30 (#peak 216 #SUP 0.89 #QF 0.89)
&rst
ixpk= 216, nxpk= 0, iat= 392, 400, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 23 ILE HB 24 PHE HN 3.64 (#peak 217 #SUP 0.98 #QF 0.98)
&rst
ixpk= 217, nxpk= 0, iat= 385, 400, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 23 ILE QD1 24 PHE HN 3.65 (#peak 218 #SUP 0.98 #QF 0.98)
&rst
ixpk= 218, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 394, 395, 396,
&end
#
# 23 ILE QG2 24 PHE HN 4.04 (#peak 219 #SUP 0.96 #QF 0.96)
&rst
ixpk= 219, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 387, 388, 389,
&end
#
# 3 SER HN 3 SER HB2 4.02 (#peak 221 #SUP 0.97 #QF 0.97)
&rst
ixpk= 221, nxpk= 0, iat= 40, 44, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 27 TYR HN 28 GLY H 3.04 (#peak 230 #SUP 0.93 #QF 0.93)
&rst
ixpk= 230, nxpk= 0, iat= 445, 466, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 39 PHE HA 40 GLY HN 3.37 (#peak 234 #SUP 0.97 #QF 0.97)
&rst
ixpk= 234, nxpk= 0, iat= 643, 661, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 54 ILE HN 54 ILE QD1 3.31 (#peak 242 #SUP 1.00)
&rst
ixpk= 242, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 887, 888, 889,
&end
#
# 53 ALA HN 56 CYS H 4.90 (#peak 250 #SUP 0.46 #QF 0.46)
&rst
ixpk= 250, nxpk= 0, iat= 864, 908, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 49 SER HA 53 ALA HN 4.55 (#peak 252 #SUP 0.60 #QF 0.60)
&rst
ixpk= 252, nxpk= 0, iat= 803, 864, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 53 ALA HN 53 ALA QB 2.96 (#peak 254 #SUP 1.00)
&rst
ixpk= 254, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 868, 869, 870,
&end
#
# 50 VAL HN 51 ARG H 3.29 (#peak 259 #SUP 0.98 #QF 0.98)
&rst
ixpk= 259, nxpk= 0, iat= 812, 828, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 48 GLN HN 51 ARG H 5.42 (#peak 292 #SUP 0.92 #QF 0.92)
&rst
ixpk= 292, nxpk= 0, iat= 784, 828, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 51 ARG HN 52 ASP HB2 5.30 (#peak 294 #SUP 0.91 #QF 0.91)
&rst
ixpk= 294, nxpk= 0, iat= 828, 856, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 51 ARG HN 51 ARG HG2 3.65 (#peak 295 #SUP 0.60 #QF 0.60)
&rst
ixpk= 295, nxpk= 0, iat= 828, 835, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 59 GLN HN 60 GLU H 4.74 (#peak 302 #SUP 0.72 #QF 0.72)
&rst
ixpk= 302, nxpk= 0, iat= 945, 962, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 32 GLN HN 44 PHE HA 5.03 (#peak 312 #SUP 0.92 #QF 0.92)
&rst
ixpk= 312, nxpk= 0, iat= 526, 726, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 20 LEU HA 23 ILE HN 4.07 (#peak 315 #SUP 0.97 #QF 0.97)
&rst
ixpk= 315, nxpk= 0, iat= 320, 381, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 23 ILE HN 23 ILE HB 3.68 (#peak 316 #SUP 1.00)
&rst
ixpk= 316, nxpk= 0, iat= 381, 385, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 23 ILE HN 23 ILE HG12 3.60 (#peak 317 #SUP 0.95 #QF 0.95)
&rst
ixpk= 317, nxpk= 0, iat= 381, 391, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 23 ILE HN 23 ILE QD1 3.72 (#peak 318 #SUP 0.96 #QF 0.96)
&rst
ixpk= 318, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 394, 395, 396,
&end
#
# 19 ASP HB2 20 LEU HN 4.03 (#peak 322 #SUP 0.98 #QF 0.98)
&rst
ixpk= 322, nxpk= 0, iat= 310, 318, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 20 LEU HN 20 LEU HG 3.75 (#peak 324 #SUP 0.74 #QF 0.74)
&rst
ixpk= 324, nxpk= 0, iat= 318, 325, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 20 LEU HN 20 LEU HB3 3.98 (#peak 325 #SUP 0.94 #QF 0.94)
&rst
ixpk= 325, nxpk= 0, iat= 318, 323, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 12 LEU HN 13 LYS H 4.92 (#peak 328 #SUP 0.89 #QF 0.89)
&rst
ixpk= 328, nxpk= 0, iat= 187, 206, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 27 TYR HN 27 TYR QE 4.52 (#peak 331 #SUP 0.62 #QF 0.62)
&rst
ixpk= 331, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 455, 460,
&end
#
# 24 PHE HA 27 TYR HN 4.70 (#peak 332 #SUP 0.97 #QF 0.97)
&rst
ixpk= 332, nxpk= 0, iat= 402, 445, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 27 TYR HN 53 ALA QB 5.50 (#peak 337 #SUP 0.96 #QF 0.96)
&rst
ixpk= 337, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 868, 869, 870,
&end
#
# 26 PRO HB3 27 TYR HN 4.44 (#peak 338 #SUP 0.89 #QF 0.89)
&rst
ixpk= 338, nxpk= 0, iat= 439, 445, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 15 VAL HN 16 SER H 4.65 (#peak 339 #SUP 0.93 #QF 0.93)
&rst
ixpk= 339, nxpk= 0, iat= 242, 258, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 15 VAL HN 15 VAL HB 3.69 (#peak 343 #SUP 0.96 #QF 0.96)
&rst
ixpk= 343, nxpk= 0, iat= 242, 246, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 3 SER HN 50 VAL QG2 4.66 (#peak 345 #SUP 0.59 #QF 0.59)
&rst
ixpk= 345, nxpk= 0, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 822, 823, 824,
&end
#
# 1 PRO HB2 3 SER HN 5.00 (#peak 346 #SUP 0.48 #QF 0.48)
&rst
ixpk= 346, nxpk= 0, iat= 11, 40, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 SER HN 31 MET HB2 4.91 (#peak 347 #SUP 0.53 #QF 0.38)
&rst
ixpk= 347, nxpk= 0, iat= 40, 513, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 1 PRO HG2 46 ASN HN 4.50 (#peak 360 #SUP 0.92 #QF 0.92)
&rst
ixpk= 360, nxpk= 0, iat= 8, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 GLU HN 58 SER H 3.29 (#peak 373 #SUP 0.70 #QF 0.70)
&rst
ixpk= 373, nxpk= 0, iat= 919, 934, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 54 ILE HA 58 SER HN 4.22 (#peak 375 #SUP 0.76 #QF 0.76)
&rst
ixpk= 375, nxpk= 0, iat= 876, 934, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 57 GLU HB3 58 SER HN 4.19 (#peak 376 #SUP 0.74 #QF 0.74)
&rst
ixpk= 376, nxpk= 0, iat= 924, 934, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 57 GLU HB2 58 SER HN 3.49 (#peak 377 #SUP 0.79 #QF 0.79)
&rst
ixpk= 377, nxpk= 0, iat= 923, 934, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 53 ALA QB 58 SER HN 5.50 (#peak 378 #SUP 0.49 #QF 0.49)
&rst
ixpk= 378, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 868, 869, 870,
&end
#
# 39 PHE HN 40 GLY H 4.63 (#peak 394 #SUP 0.99 #QF 0.99)
&rst
ixpk= 394, nxpk= 0, iat= 641, 661, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 58 SER HN 59 GLN H 4.15 (#peak 401 #SUP 0.61 #QF 0.61)
&rst
ixpk= 401, nxpk= 0, iat= 934, 945, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 27 TYR QD 53 ALA HN 4.81 (#peak 411 #SUP 0.92 #QF 0.92)
&rst
ixpk= 411, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 453, 462,
&end
#
# 51 ARG HN 53 ALA H 4.64 (#peak 412 #SUP 0.93 #QF 0.93)
&rst
ixpk= 412, nxpk= 0, iat= 828, 864, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 27 TYR HB3 53 ALA HN 4.56 (#peak 414 #SUP 0.90 #QF 0.90)
&rst
ixpk= 414, nxpk= 0, iat= 450, 864, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 52 ASP HB2 53 ALA HN 3.31 (#peak 416 #SUP 0.89 #QF 0.89)
&rst
ixpk= 416, nxpk= 0, iat= 856, 864, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 53 ALA HN 54 ILE HG13 4.87 (#peak 418 #SUP 0.97 #QF 0.97)
&rst
ixpk= 418, nxpk= 0, iat= 864, 885, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 16 SER HN 19 ASP H 3.90 (#peak 431 #SUP 0.93 #QF 0.93)
&rst
ixpk= 431, nxpk= 0, iat= 258, 306, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 21 PHE HA 24 PHE HN 4.64 (#peak 435 #SUP 0.25 #QF 0.25)
&rst
ixpk= 435, nxpk= 0, iat= 339, 400, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 24 PHE HN 24 PHE HB2 3.51 (#peak 436 #SUP 0.78 #QF 0.78)
&rst
ixpk= 436, nxpk= 0, iat= 400, 404, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 51 ARG HN 54 ILE H 5.48 (#peak 441 #SUP 0.63 #QF 0.63)
&rst
ixpk= 441, nxpk= 0, iat= 828, 874, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 54 ILE HN 55 GLU QB 4.76 (#peak 442 #SUP 0.57 #QF 0.57)
&rst
ixpk= 442, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 897, 898,
&end
#
# 3 SER HN 4 ARG H 4.52 (#peak 469 #SUP 0.82 #QF 0.82)
&rst
ixpk= 469, nxpk= 0, iat= 40, 51, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 4 ARG HN 4 ARG HB2 4.08 (#peak 473 #SUP 0.79 #QF 0.79)
&rst
ixpk= 473, nxpk= 0, iat= 51, 55, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 4 ARG HN 4 ARG HB3 4.08 (#peak 474 #SUP 0.67 #QF 0.67)
&rst
ixpk= 474, nxpk= 0, iat= 51, 56, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 6 PHE HD1 7 ILE HN 4.25 (#peak 477 #SUP 0.91 #QF 0.91)
&rst
ixpk= 477, nxpk= 0, iat= 102, 114, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 7 ILE HN 7 ILE QG2 3.82 (#peak 479 #SUP 0.93 #QF 0.93)
&rst
ixpk= 479, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 120, 121, 122,
&end
#
# 55 GLU HN 55 GLU QB 2.66 (#peak 484 #SUP 0.86 #QF 0.86)
&rst
ixpk= 484, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
igr2= 897, 898,
&end
#
# 54 ILE HB 55 GLU HN 3.12 (#peak 485 #SUP 0.95 #QF 0.95)
&rst
ixpk= 485, nxpk= 0, iat= 878, 893, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 27 TYR QE 57 GLU HN 4.53 (#peak 488 #SUP 0.50 #QF 0.50)
&rst
ixpk= 488, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 455, 460,
&end
#
# 54 ILE QG2 56 CYS HN 5.50 (#peak 492 #SUP 0.56 #QF 0.23)
&rst
ixpk= 492, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 880, 881, 882,
&end
#
# 54 ILE QG2 57 GLU HN 5.50 (#peak 492 #SUP 0.56 #QF 0.23)
&rst
ixpk= 492, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 880, 881, 882,
&end
#
# 44 PHE QB 49 SER HN 4.89 (#peak 503 #SUP 0.62 #QF 0.62)
&rst
ixpk= 503, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 728, 729,
&end
#
# 48 GLN HB2 49 SER HN 3.18 (#peak 505 #SUP 0.31 #QF 0.31)
&rst
ixpk= 505, nxpk= 0, iat= 788, 801, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 29 HIS HN 45 ASP H 4.68 (#peak 507 #SUP 0.98 #QF 0.82)
&rst
ixpk= 507, nxpk= 0, iat= 473, 744, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 44 PHE HN 45 ASP H 5.14 (#peak 507 #SUP 0.98 #QF 0.82)
&rst
ixpk= 507, nxpk= 0, iat= 724, 744, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 44 PHE QD 45 ASP HN 3.80 (#peak 509 #SUP 0.95 #QF 0.95)
&rst
ixpk= 509, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 732, 740,
&end
#
# 44 PHE QB 45 ASP HN 3.13 (#peak 510 #SUP 0.97 #QF 0.97)
&rst
ixpk= 510, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1= 728, 729,
&end
#
# 31 MET QG 45 ASP HN 4.36 (#peak 512 #SUP 0.96 #QF 0.96)
&rst
ixpk= 512, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 516, 517,
&end
#
# 51 ARG HN 52 ASP H 3.36 (#peak 524 #SUP 0.96 #QF 0.96)
&rst
ixpk= 524, nxpk= 0, iat= 828, 852, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 48 GLN HA 52 ASP HN 3.78 (#peak 525 #SUP 0.85 #QF 0.85)
&rst
ixpk= 525, nxpk= 0, iat= 786, 852, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 52 ASP HN 55 GLU HG3 4.47 (#peak 527 #SUP 0.94 #QF 0.94)
&rst
ixpk= 527, nxpk= 0, iat= 852, 901, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 34 ASN HN 42 ILE HA 4.50 (#peak 535 #SUP 0.58 #QF 0.58)
&rst
ixpk= 535, nxpk= 0, iat= 562, 690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 ASN HN 35 ILE HB 5.50 (#peak 536 #SUP 0.94 #QF 0.84)
&rst
ixpk= 536, nxpk= 0, iat= 562, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 ASN HN 42 ILE HB 5.50 (#peak 536 #SUP 0.94 #QF 0.84)
&rst
ixpk= 536, nxpk= 0, iat= 562, 692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 PHE HN 42 ILE H 4.71 (#peak 545 #SUP 0.77 #QF 0.77)
&rst
ixpk= 545, nxpk= 0, iat= 668, 688, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 35 ILE HA 41 PHE HN 4.09 (#peak 548 #SUP 0.77 #QF 0.77)
&rst
ixpk= 548, nxpk= 0, iat= 578, 668, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 7 ILE HN 40 GLY H 4.57 (#peak 553 #SUP 0.99 #QF 0.99)
&rst
ixpk= 553, nxpk= 0, iat= 114, 661, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 42 ILE HN 43 GLN H 4.60 (#peak 557 #SUP 0.64 #QF 0.64)
&rst
ixpk= 557, nxpk= 0, iat= 688, 707, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 42 ILE HB 43 GLN HN 4.27 (#peak 560 #SUP 0.58 #QF 0.58)
&rst
ixpk= 560, nxpk= 0, iat= 692, 707, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 30 ILE QD1 43 GLN HN 4.71 (#peak 562 #SUP 0.37 #QF 0.37)
&rst
ixpk= 562, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 503, 504, 505,
&end
#
# 44 PHE HN 44 PHE QD 3.82 (#peak 565 #SUP 0.96 #QF 0.96)
&rst
ixpk= 565, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 732, 740,
&end
#
# 4 ARG HA 44 PHE HN 3.99 (#peak 567 #SUP 0.98 #QF 0.98)
&rst
ixpk= 567, nxpk= 0, iat= 53, 724, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 44 PHE HN 44 PHE QB 3.57 (#peak 568 #SUP 0.90 #QF 0.90)
&rst
ixpk= 568, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 728, 729,
&end
#
# 31 MET HB2 44 PHE HN 3.95 (#peak 569 #SUP 0.45 #QF 0.45)
&rst
ixpk= 569, nxpk= 0, iat= 513, 724, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 5 LEU HB3 44 PHE HN 4.29 (#peak 570 #SUP 0.54 #QF 0.54)
&rst
ixpk= 570, nxpk= 0, iat= 80, 724, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 5 LEU HB2 44 PHE HN 4.72 (#peak 571 #SUP 0.62 #QF 0.62)
&rst
ixpk= 571, nxpk= 0, iat= 79, 724, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 19 ASP HN 21 PHE H 4.70 (#peak 578 #SUP 0.74 #QF 0.74)
&rst
ixpk= 578, nxpk= 0, iat= 306, 337, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 20 LEU HG 21 PHE HN 4.24 (#peak 580 #SUP 0.93 #QF 0.93)
&rst
ixpk= 580, nxpk= 0, iat= 325, 337, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 20 LEU HB3 21 PHE HN 4.15 (#peak 581 #SUP 0.98 #QF 0.98)
&rst
ixpk= 581, nxpk= 0, iat= 323, 337, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 31 MET HN 42 ILE QG2 4.28 (#peak 584 #SUP 0.81 #QF 0.81)
&rst
ixpk= 584, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 694, 695, 696,
&end
#
# 6 PHE HD1 70 GLU HN 4.34 (#peak 586 #SUP 0.74 #QF 0.74)
&rst
ixpk= 586, nxpk= 0, iat= 102,1136, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 69 LEU HA 70 GLU HN 3.07 (#peak 587 #SUP 0.88 #QF 0.88)
&rst
ixpk= 587, nxpk= 0, iat=1119,1136, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 69 LEU HB2 70 GLU HN 3.53 (#peak 590 #SUP 0.93 #QF 0.93)
&rst
ixpk= 590, nxpk= 0, iat=1121,1136, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 16 SER HN 18 GLU QB 5.35 (#peak 597 #SUP 0.69 #QF 0.69)
&rst
ixpk= 597, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 295, 296,
&end
#
# 15 VAL QG1 16 SER HN 4.46 (#peak 598 #SUP 0.98 #QF 0.98)
&rst
ixpk= 598, nxpk= 0, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 248, 249, 250,
&end
#
# 5 LEU HB3 42 ILE HN 4.97 (#peak 604 #SUP 0.80 #QF 0.80)
&rst
ixpk= 604, nxpk= 0, iat= 80, 688, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 42 ILE HN 42 ILE HB 3.88 (#peak 605 #SUP 0.73 #QF 0.73)
&rst
ixpk= 605, nxpk= 0, iat= 688, 692, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 5 LEU HN 44 PHE QD 4.49 (#peak 610 #SUP 0.97 #QF 0.97)
&rst
ixpk= 610, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 732, 740,
&end
#
# 5 LEU HN 5 LEU HB3 3.89 (#peak 613 #SUP 0.86 #QF 0.86)
&rst
ixpk= 613, nxpk= 0, iat= 75, 80, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 5 LEU HN 5 LEU HB2 3.55 (#peak 614 #SUP 0.87 #QF 0.87)
&rst
ixpk= 614, nxpk= 0, iat= 75, 79, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 5 LEU HN 5 LEU QD1 4.67 (#peak 615 #SUP 0.79 #QF 0.79)
&rst
ixpk= 615, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 84, 85, 86,
&end
#
# 6 PHE HN 6 PHE HD1 4.78 (#peak 621 #SUP 0.97 #QF 0.97)
&rst
ixpk= 621, nxpk= 0, iat= 94, 102, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 6 PHE HN 54 ILE HG13 5.50 (#peak 624 #SUP 0.72 #QF 0.72)
&rst
ixpk= 624, nxpk= 0, iat= 94, 885, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 ARG HA 5 LEU HN 3.51 (#peak 626 #SUP 0.98 #QF 0.98)
&rst
ixpk= 626, nxpk= 0, iat= 53, 75, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 30 ILE HN 31 MET H 4.64 (#peak 629 #SUP 0.88 #QF 0.88)
&rst
ixpk= 629, nxpk= 0, iat= 490, 509, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 30 ILE HN 44 PHE QD 4.25 (#peak 631 #SUP 0.93 #QF 0.93)
&rst
ixpk= 631, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 732, 740,
&end
#
# 30 ILE HN 30 ILE HB 3.41 (#peak 635 #SUP 0.84 #QF 0.84)
&rst
ixpk= 635, nxpk= 0, iat= 490, 494, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 30 ILE HN 30 ILE QG2 3.87 (#peak 636 #SUP 0.62 #QF 0.62)
&rst
ixpk= 636, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 496, 497, 498,
&end
#
# 50 VAL HN 52 ASP H 5.20 (#peak 639 #SUP 0.98 #QF 0.98)
&rst
ixpk= 639, nxpk= 0, iat= 812, 852, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 50 VAL HN 53 ALA H 5.19 (#peak 640 #SUP 1.00)
&rst
ixpk= 640, nxpk= 0, iat= 812, 864, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 50 VAL HN 51 ARG HG3 4.42 (#peak 644 #SUP 0.97 #QF 0.97)
&rst
ixpk= 644, nxpk= 0, iat= 812, 836, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 50 VAL HN 50 VAL QG2 3.00 (#peak 646 #SUP 0.98 #QF 0.98)
&rst
ixpk= 646, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 822, 823, 824,
&end
#
# 12 LEU HN 12 LEU QD2 4.76 (#peak 650 #SUP 0.97 #QF 0.97)
&rst
ixpk= 650, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 200, 201, 202,
&end
#
# 12 LEU HN 12 LEU QD1 4.76 (#peak 651 #SUP 0.99 #QF 0.99)
&rst
ixpk= 651, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 196, 197, 198,
&end
#
# 15 VAL HN 15 VAL QG1 4.01 (#peak 664 #SUP 0.94 #QF 0.94)
&rst
ixpk= 664, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 248, 249, 250,
&end
#
# 15 VAL HN 15 VAL QG2 4.01 (#peak 665 #SUP 0.76 #QF 0.76)
&rst
ixpk= 665, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 252, 253, 254,
&end
#
# 19 ASP HN 22 ARG H 5.02 (#peak 666 #SUP 0.76 #QF 0.76)
&rst
ixpk= 666, nxpk= 0, iat= 306, 357, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 18 GLU QB 19 ASP HN 3.29 (#peak 673 #SUP 0.45 #QF 0.45)
&rst
ixpk= 673, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 295, 296,
&end
#
# 20 LEU HN 20 LEU HB2 3.98 (#peak 678 #SUP 0.99 #QF 0.99)
&rst
ixpk= 678, nxpk= 0, iat= 318, 322, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 20 LEU HN 20 LEU QD1 3.95 (#peak 680 #SUP 0.97 #QF 0.97)
&rst
ixpk= 680, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 327, 328, 329,
&end
#
# 54 ILE HN 55 GLU H 3.40 (#peak 682 #SUP 0.97 #QF 0.97)
&rst
ixpk= 682, nxpk= 0, iat= 874, 893, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 52 ASP HA 55 GLU HN 4.83 (#peak 683 #SUP 0.82 #QF 0.82)
&rst
ixpk= 683, nxpk= 0, iat= 854, 893, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 21 PHE HB3 22 ARG HN 3.21 (#peak 685 #SUP 0.91 #QF 0.91)
&rst
ixpk= 685, nxpk= 0, iat= 342, 357, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 21 PHE HB2 22 ARG HN 3.93 (#peak 686 #SUP 1.00)
&rst
ixpk= 686, nxpk= 0, iat= 341, 357, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 55 GLU HN 55 GLU HG2 3.09 (#peak 687 #SUP 0.96 #QF 0.94)
&rst
ixpk= 687, nxpk= 0, iat= 893, 900, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 22 ARG HN 22 ARG HG2 3.58 (#peak 688 #SUP 0.82 #QF 0.75)
&rst
ixpk= 688, nxpk= 0, iat= 357, 364, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 54 ILE HG12 55 GLU HN 4.55 (#peak 689 #SUP 0.62 #QF 0.62)
&rst
ixpk= 689, nxpk= 0, iat= 884, 893, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 23 ILE HN 25 SER H 4.65 (#peak 690 #SUP 0.98 #QF 0.98)
&rst
ixpk= 690, nxpk= 0, iat= 381, 420, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 19 ASP HA 23 ILE HN 4.97 (#peak 693 #SUP 0.67 #QF 0.67)
&rst
ixpk= 693, nxpk= 0, iat= 308, 381, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 21 PHE HB3 23 ILE HN 5.50 (#peak 695 #SUP 0.91 #QF 0.56)
&rst
ixpk= 695, nxpk= 0, iat= 342, 381, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 PHE HN 24 PHE QD 3.28 (#peak 696 #SUP 0.86 #QF 0.86)
&rst
ixpk= 696, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 408, 416,
&end
#
# 23 ILE HN 24 PHE H 3.26 (#peak 697 #SUP 0.97 #QF 0.97)
&rst
ixpk= 697, nxpk= 0, iat= 381, 400, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 23 ILE HG12 24 PHE HN 4.53 (#peak 699 #SUP 0.99 #QF 0.99)
&rst
ixpk= 699, nxpk= 0, iat= 391, 400, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 25 SER HN 28 GLY H 4.93 (#peak 700 #SUP 0.63 #QF 0.63)
&rst
ixpk= 700, nxpk= 0, iat= 420, 466, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 25 SER HN 27 TYR H 3.79 (#peak 701 #SUP 0.31 #QF 0.31)
&rst
ixpk= 701, nxpk= 0, iat= 420, 445, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 25 SER HN 26 PRO HD3 3.66 (#peak 704 #SUP 0.93 #QF 0.93)
&rst
ixpk= 704, nxpk= 0, iat= 420, 433, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 25 SER HN 25 SER HB2 3.44 (#peak 705 #SUP 0.86 #QF 0.86)
&rst
ixpk= 705, nxpk= 0, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 28 GLY HN 29 HIS H 4.46 (#peak 706 #SUP 0.76 #QF 0.76)
&rst
ixpk= 706, nxpk= 0, iat= 466, 473, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 27 TYR HB3 28 GLY HN 4.26 (#peak 707 #SUP 0.74 #QF 0.74)
&rst
ixpk= 707, nxpk= 0, iat= 450, 466, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 27 TYR HB2 28 GLY HN 3.79 (#peak 709 #SUP 0.95 #QF 0.95)
&rst
ixpk= 709, nxpk= 0, iat= 449, 466, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 32 GLN HN 43 GLN H 3.89 (#peak 711 #SUP 0.97 #QF 0.97)
&rst
ixpk= 711, nxpk= 0, iat= 526, 707, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 31 MET QG 32 GLN HN 3.90 (#peak 715 #SUP 0.99 #QF 0.99)
&rst
ixpk= 715, nxpk= 0, iat= -1, 526, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 516, 517,
&end
#
# 21 PHE HN 21 PHE HB3 3.07 (#peak 726 #SUP 0.94 #QF 0.94)
&rst
ixpk= 726, nxpk= 0, iat= 337, 342, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 21 PHE HN 21 PHE HB2 3.07 (#peak 727 #SUP 0.95 #QF 0.95)
&rst
ixpk= 727, nxpk= 0, iat= 337, 341, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 29 HIS HB2 45 ASP HN 5.09 (#peak 731 #SUP 0.47 #QF 0.47)
&rst
ixpk= 731, nxpk= 0, iat= 477, 744, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 29 HIS HB3 45 ASP HN 5.09 (#peak 732 #SUP 0.84 #QF 0.74)
&rst
ixpk= 732, nxpk= 0, iat= 478, 744, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 45 ASP HB3 46 ASN HN 4.75 (#peak 741 #SUP 0.97 #QF 0.97)
&rst
ixpk= 741, nxpk= 0, iat= 749, 756, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 48 GLN HN 50 VAL H 5.16 (#peak 743 #SUP 0.69 #QF 0.69)
&rst
ixpk= 743, nxpk= 0, iat= 784, 812, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 48 GLN HN 48 GLN HG2 3.74 (#peak 744 #SUP 0.95 #QF 0.71)
&rst
ixpk= 744, nxpk= 0, iat= 784, 791, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 48 GLN HN 48 GLN HG3 3.95 (#peak 744 #SUP 0.95 #QF 0.71)
&rst
ixpk= 744, nxpk= 0, iat= 784, 792, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 48 GLN HN 48 GLN HB2 2.98 (#peak 745 #SUP 0.92 #QF 0.92)
&rst
ixpk= 745, nxpk= 0, iat= 784, 788, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 48 GLN HN 50 VAL QG2 5.50 (#peak 748 #SUP 0.91 #QF 0.91)
&rst
ixpk= 748, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 822, 823, 824,
&end
#
# 6 PHE HD1 69 LEU HB2 4.75 (#peak 7 #SUP 0.70 #QF 0.70)
&rst
ixpk= 7, nxpk= 0, iat= 102,1121, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 30 ILE HB 44 PHE QD 4.14 (#peak 14 #SUP 0.99 #QF 0.99)
&rst
ixpk= 14, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 732, 740,
&end
#
# 30 ILE QD1 44 PHE QD 4.12 (#peak 17 #SUP 0.68 #QF 0.68)
&rst
ixpk= 17, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 503, 504, 505,
igr2= 732, 740,
&end
#
# 24 PHE HA 24 PHE QD 4.27 (#peak 21 #SUP 0.96 #QF 0.96)
&rst
ixpk= 21, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 408, 416,
&end
#
# 27 TYR QD 56 CYS HB3 4.48 (#peak 31 #SUP 0.94 #QF 0.87)
&rst
ixpk= 31, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 453, 462,
&end
#
# 27 TYR QD 53 ALA QB 4.36 (#peak 33 #SUP 0.98 #QF 0.98)
&rst
ixpk= 33, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 453, 462,
igr2= 868, 869, 870,
&end
#
# 23 ILE QD1 27 TYR QD 5.50 (#peak 34 #SUP 0.91 #QF 0.91)
&rst
ixpk= 34, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 394, 395, 396,
igr2= 453, 462,
&end
#
# 1 PRO HG2 45 ASP QB 5.03 (#peak 202)
&rst
ixpk= 202, nxpk= 0, iat= 8, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 748, 749,
&end
#
# 1 PRO HG2 46 ASN QB 4.21 (#peak 34)
&rst
ixpk= 34, nxpk= 0, iat= 8, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 760, 761,
&end
#
# 1 PRO HG3 46 ASN QB 5.34 (#peak 1022)
&rst
ixpk= 1022, nxpk= 0, iat= 9, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 760, 761,
&end
#
# 4 ARG HN 4 ARG QB 3.54 (#peak 473)
&rst
ixpk= 473, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 55, 56,
&end
#
# 4 ARG QB 43 GLN HA 4.76 (#peak 93)
&rst
ixpk= 93, nxpk= 0, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 55, 56,
&end
#
# 5 LEU HN 5 LEU QQD 4.10 (#peak 175)
&rst
ixpk= 175, nxpk= 0, iat= 75, 81, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 5 LEU HA 5 LEU QQD 3.54 (#peak 144)
&rst
ixpk= 144, nxpk= 0, iat= 77, 81, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 5 LEU QQD 6 PHE HN 4.81 (#peak 174)
&rst
ixpk= 174, nxpk= 0, iat= 81, 94, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51, &end
#
# 5 LEU QQD 7 ILE QG2 4.56 (#peak 215)
&rst
ixpk= 215, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr2= 120, 121, 122,
&end
#
# 5 LEU QQD 7 ILE QG1 4.13 (#peak 2391)
&rst
ixpk= 2391, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr2= 124, 125,
&end
#
# 5 LEU QQD 7 ILE QD1 3.14 (#peak 275)
&rst
ixpk= 275, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 127, 128, 129,
&end
#
# 5 LEU QQD 24 PHE HB3 4.62 (#peak 142)
&rst
ixpk= 142, nxpk= 0, iat= 81, 405, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, &end
#
# 5 LEU QQD 24 PHE QD 4.09 (#peak 173)
&rst
ixpk= 173, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 408, 416,
&end
#
# 5 LEU QQD 42 ILE HB 3.97 (#peak 1071)
&rst
ixpk= 1071, nxpk= 0, iat= 81, 692, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, &end
#
# 5 LEU QQD 42 ILE QD1 3.19 (#peak 1129)
&rst
ixpk= 1129, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 701, 702, 703,
&end
#
# 5 LEU QQD 44 PHE QB 5.28 (#peak 167)
&rst
ixpk= 167, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
igr2= 728, 729,
&end
#
# 5 LEU QQD 44 PHE QD 3.42 (#peak 154)
&rst
ixpk= 154, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 732, 740,
&end
#
# 5 LEU QQD 50 VAL HA 3.20 (#peak 1321)
&rst
ixpk= 1321, nxpk= 0, iat= 81, 814, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 5 LEU QQD 50 VAL QG1 3.84 (#peak 1385)
&rst
ixpk= 1385, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 818, 819, 820,
&end
#
# 5 LEU QQD 50 VAL QG2 4.78 (#peak 1362)
&rst
ixpk= 1362, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr2= 822, 823, 824,
&end
#
# 5 LEU QQD 51 ARG HN 4.59 (#peak 153)
&rst
ixpk= 153, nxpk= 0, iat= 81, 828, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, &end
#
# 5 LEU QQD 51 ARG HA 4.99 (#peak 145)
&rst
ixpk= 145, nxpk= 0, iat= 81, 830, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, &end
#
# 5 LEU QQD 53 ALA HN 4.38 (#peak 419)
&rst
ixpk= 419, nxpk= 0, iat= 81, 864, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, &end
#
# 5 LEU QQD 53 ALA HA 4.29 (#peak 1459)
&rst
ixpk= 1459, nxpk= 0, iat= 81, 866, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, &end
#
# 5 LEU QQD 53 ALA QB 2.95 (#peak 1481)
&rst
ixpk= 1481, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 868, 869, 870,
&end
#
# 5 LEU QQD 54 ILE HN 3.62 (#peak 155)
&rst
ixpk= 155, nxpk= 0, iat= 81, 874, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 5 LEU QQD 54 ILE HA 4.87 (#peak 142)
&rst
ixpk= 142, nxpk= 0, iat= 81, 876, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, &end
#
# 5 LEU QQD 54 ILE HG13 2.92 (#peak 147)
&rst
ixpk= 147, nxpk= 0, iat= 81, 885, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 5 LEU QQD 54 ILE QD1 2.77 (#peak 1559)
&rst
ixpk= 1559, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 887, 888, 889,
&end
#
# 6 PHE HN 69 LEU QQD 4.17 (#peak 1770)
&rst
ixpk= 1770, nxpk= 0, iat= 94,1123, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, &end
#
# 6 PHE HB3 69 LEU QQD 4.83 (#peak 196)
&rst
ixpk= 196, nxpk= 0, iat= 99,1123, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, &end
#
# 6 PHE HD1 39 PHE QB 5.34 (#peak 1017)
&rst
ixpk= 1017, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 645, 646,
&end
#
# 7 ILE HN 39 PHE QB 4.82 (#peak 1015)
&rst
ixpk= 1015, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 645, 646,
&end
#
# 7 ILE QG2 7 ILE QG1 2.87 (#peak 216)
&rst
ixpk= 216, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 120, 121, 122,
igr2= 124, 125,
&end
#
# 7 ILE QG1 11 PRO HD2 4.79 (#peak 262)
&rst
ixpk= 262, nxpk= 0, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 124, 125,
&end
#
# 7 ILE QG1 11 PRO HD3 3.96 (#peak 1907)
&rst
ixpk= 1907, nxpk= 0, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 124, 125,
&end
#
# 7 ILE QG1 58 SER QB 5.34 (#peak 263)
&rst
ixpk= 263, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 124, 125,
igr2= 938, 939,
&end
#
# 11 PRO HA 12 LEU QQD 4.16 (#peak 341)
&rst
ixpk= 341, nxpk= 0, iat= 183, 193, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, &end
#
# 11 PRO HA 15 VAL QQG 4.78 (#peak 1899)
&rst
ixpk= 1899, nxpk= 0, iat= 183, 245, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, &end
#
# 11 PRO QB 12 LEU HN 4.04 (#peak 443)
&rst
ixpk= 443, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 180, 181,
&end
#
# 11 PRO QB 15 VAL QQG 3.66 (#peak 307)
&rst
ixpk= 307, nxpk= 0, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 180, 181,
&end
#
# 11 PRO HD2 12 LEU QQD 4.04 (#peak 1917)
&rst
ixpk= 1917, nxpk= 0, iat= 174, 193, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, &end
#
# 12 LEU HN 12 LEU QB 2.99 (#peak 444)
&rst
ixpk= 444, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 191, 192,
&end
#
# 12 LEU HN 12 LEU QQD 3.82 (#peak 650)
&rst
ixpk= 650, nxpk= 0, iat= 187, 193, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 12 LEU HA 12 LEU QQD 2.82 (#peak 339)
&rst
ixpk= 339, nxpk= 0, iat= 189, 193, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 12 LEU QB 12 LEU QQD 2.79 (#peak 335)
&rst
ixpk= 335, nxpk= 0, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 191, 192,
&end
#
# 12 LEU QB 13 LYS HN 4.42 (#peak 513)
&rst
ixpk= 513, nxpk= 0, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 191, 192,
&end
#
# 12 LEU QQD 13 LYS HN 5.09 (#peak 655)
&rst
ixpk= 655, nxpk= 0, iat= 193, 206, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79, &end
#
# 12 LEU QQD 38 ALA HN 5.44 (#peak 359)
&rst
ixpk= 359, nxpk= 0, iat= 193, 631, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 12 LEU QQD 38 ALA HA 3.45 (#peak 340)
&rst
ixpk= 340, nxpk= 0, iat= 193, 633, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 12 LEU QQD 38 ALA QB 3.20 (#peak 985)
&rst
ixpk= 985, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 635, 636, 637,
&end
#
# 12 LEU QQD 39 PHE HN 5.04 (#peak 160)
&rst
ixpk= 160, nxpk= 0, iat= 193, 641, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74, &end
#
# 13 LYS HN 13 LYS QB 3.42 (#peak 185)
&rst
ixpk= 185, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 210, 211,
&end
#
# 15 VAL HN 15 VAL QQG 3.19 (#peak 665)
&rst
ixpk= 665, nxpk= 0, iat= 242, 245, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 15 VAL HA 19 ASP QB 4.47 (#peak 472)
&rst
ixpk= 472, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 310, 311,
&end
#
# 15 VAL QQG 16 SER HN 3.33 (#peak 598)
&rst
ixpk= 598, nxpk= 0, iat= 245, 258, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 15 VAL QQG 16 SER QB 4.98 (#peak 379)
&rst
ixpk= 379, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr2= 262, 263,
&end
#
# 15 VAL QQG 19 ASP HN 4.28 (#peak 101)
&rst
ixpk= 101, nxpk= 0, iat= 245, 306, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, &end
#
# 15 VAL QQG 19 ASP HA 4.63 (#peak 448)
&rst
ixpk= 448, nxpk= 0, iat= 245, 308, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, &end
#
# 15 VAL QQG 19 ASP QB 3.46 (#peak 380)
&rst
ixpk= 380, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 310, 311,
&end
#
# 15 VAL QQG 20 LEU HN 3.97 (#peak 679)
&rst
ixpk= 679, nxpk= 0, iat= 245, 318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, &end
#
# 15 VAL QQG 20 LEU QB 5.14 (#peak 532)
&rst
ixpk= 532, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
igr2= 322, 323,
&end
#
# 15 VAL QQG 20 LEU HG 4.16 (#peak 382)
&rst
ixpk= 382, nxpk= 0, iat= 245, 325, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, &end
#
# 15 VAL QQG 20 LEU QQD 4.78 (#peak 1940)
&rst
ixpk= 1940, nxpk= 0, iat= 245, 324, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68, &end
#
# 16 SER HN 16 SER QB 3.60 (#peak 57)
&rst
ixpk= 57, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 262, 263,
&end
#
# 16 SER HN 19 ASP QB 3.58 (#peak 59)
&rst
ixpk= 59, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 310, 311,
&end
#
# 16 SER QB 19 ASP HN 3.69 (#peak 669)
&rst
ixpk= 669, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 262, 263,
&end
#
# 16 SER QB 35 ILE QD1 5.34 (#peak 946)
&rst
ixpk= 946, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 262, 263,
igr2= 589, 590, 591,
&end
#
# 18 GLU QB 19 ASP QB 5.28 (#peak 484)
&rst
ixpk= 484, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 295, 296,
igr2= 310, 311,
&end
#
# 19 ASP HN 19 ASP QB 3.14 (#peak 100)
&rst
ixpk= 100, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 310, 311,
&end
#
# 19 ASP HA 20 LEU QQD 5.32 (#peak 449)
&rst
ixpk= 449, nxpk= 0, iat= 308, 324, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02, &end
#
# 19 ASP QB 20 LEU HN 3.40 (#peak 322)
&rst
ixpk= 322, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 310, 311,
&end
#
# 19 ASP QB 20 LEU HG 5.34 (#peak 484)
&rst
ixpk= 484, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 310, 311,
&end
#
# 19 ASP QB 20 LEU QQD 3.93 (#peak 1930)
&rst
ixpk= 1930, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 310, 311,
&end
#
# 19 ASP QB 22 ARG HG2 4.68 (#peak 487)
&rst
ixpk= 487, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 310, 311,
&end
#
# 19 ASP QB 23 ILE HN 5.34 (#peak 695)
&rst
ixpk= 695, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 310, 311,
&end
#
# 19 ASP QB 23 ILE HG12 4.97 (#peak 479)
&rst
ixpk= 479, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 310, 311,
&end
#
# 19 ASP QB 23 ILE QD1 5.22 (#peak 638)
&rst
ixpk= 638, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 310, 311,
igr2= 394, 395, 396,
&end
#
# 20 LEU HN 20 LEU QB 3.45 (#peak 678)
&rst
ixpk= 678, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 322, 323,
&end
#
# 20 LEU HN 20 LEU QQD 3.40 (#peak 680)
&rst
ixpk= 680, nxpk= 0, iat= 318, 324, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 20 LEU HA 20 LEU QQD 3.50 (#peak 1926)
&rst
ixpk= 1926, nxpk= 0, iat= 320, 324, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 20 LEU QB 20 LEU QQD 2.68 (#peak 555)
&rst
ixpk= 555, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 322, 323,
&end
#
# 20 LEU QB 21 PHE HN 3.63 (#peak 81)
&rst
ixpk= 81, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 322, 323,
&end
#
# 20 LEU QB 30 ILE QD1 4.79 (#peak 823)
&rst
ixpk= 823, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 322, 323,
igr2= 503, 504, 505,
&end
#
# 20 LEU QB 35 ILE QD1 4.76 (#peak 949)
&rst
ixpk= 949, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 322, 323,
igr2= 589, 590, 591,
&end
#
# 20 LEU QB 42 ILE HG12 3.15 (#peak 521)
&rst
ixpk= 521, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 322, 323,
&end
#
# 20 LEU QB 42 ILE HG13 4.81 (#peak 528)
&rst
ixpk= 528, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 322, 323,
&end
#
# 20 LEU QB 42 ILE QD1 3.09 (#peak 1108)
&rst
ixpk= 1108, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 322, 323,
igr2= 701, 702, 703,
&end
#
# 20 LEU QQD 21 PHE HN 4.32 (#peak 1919)
&rst
ixpk= 1919, nxpk= 0, iat= 324, 337, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, &end
#
# 20 LEU QQD 21 PHE HB2 4.25 (#peak 551)
&rst
ixpk= 551, nxpk= 0, iat= 324, 341, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, &end
#
# 20 LEU QQD 21 PHE HB3 4.38 (#peak 552)
&rst
ixpk= 552, nxpk= 0, iat= 324, 342, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, &end
#
# 20 LEU QQD 22 ARG HN 5.44 (#peak 1920)
&rst
ixpk= 1920, nxpk= 0, iat= 324, 357, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 20 LEU QQD 24 PHE HN 5.44 (#peak 698)
&rst
ixpk= 698, nxpk= 0, iat= 324, 400, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 20 LEU QQD 42 ILE QG2 4.13 (#peak 558)
&rst
ixpk= 558, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 694, 695, 696,
&end
#
# 25 SER HN 26 PRO QG 4.08 (#peak 516)
&rst
ixpk= 516, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 435, 436,
&end
#
# 25 SER HB2 26 PRO QG 4.25 (#peak 694)
&rst
ixpk= 694, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 435, 436,
&end
#
# 25 SER HB3 26 PRO QG 4.78 (#peak 671)
&rst
ixpk= 671, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 435, 436,
&end
#
# 28 GLY HN 49 SER QB 4.69 (#peak 1306)
&rst
ixpk= 1306, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 805, 806,
&end
#
# 29 HIS QB 30 ILE HN 4.16 (#peak 748)
&rst
ixpk= 748, nxpk= 0, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 477, 478,
&end
#
# 29 HIS QB 45 ASP HN 4.40 (#peak 731)
&rst
ixpk= 731, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 477, 478,
&end
#
# 31 MET QG 45 ASP QB 4.07 (#peak 865)
&rst
ixpk= 865, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 516, 517,
igr2= 748, 749,
&end
#
# 31 MET QE 45 ASP QB 3.59 (#peak 881)
&rst
ixpk= 881, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 520, 521, 522,
igr2= 748, 749,
&end
#
# 34 ASN HN 34 ASN QB 3.69 (#peak 898)
&rst
ixpk= 898, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 566, 567,
&end
#
# 36 LYS HN 36 LYS QB 3.53 (#peak 5)
&rst
ixpk= 5, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 599, 600,
&end
#
# 38 ALA QB 39 PHE QB 4.74 (#peak 979)
&rst
ixpk= 979, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 635, 636, 637,
igr2= 645, 646,
&end
#
# 39 PHE HN 39 PHE QB 3.17 (#peak 157)
&rst
ixpk= 157, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 645, 646,
&end
#
# 39 PHE QB 40 GLY HN 4.27 (#peak 1014)
&rst
ixpk= 1014, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 645, 646,
&end
#
# 44 PHE QB 49 SER QB 4.38 (#peak 1163)
&rst
ixpk= 1163, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 728, 729,
igr2= 805, 806,
&end
#
# 44 PHE QD 49 SER QB 4.75 (#peak 1300)
&rst
ixpk= 1300, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 732, 740,
igr2= 805, 806,
&end
#
# 45 ASP HN 45 ASP QB 3.64 (#peak 164)
&rst
ixpk= 164, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 748, 749,
&end
#
# 45 ASP HN 49 SER QB 5.11 (#peak 732)
&rst
ixpk= 732, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 805, 806,
&end
#
# 46 ASN HN 46 ASN QB 3.63 (#peak 361)
&rst
ixpk= 361, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 760, 761,
&end
#
# 46 ASN HN 49 SER QB 5.34 (#peak 742)
&rst
ixpk= 742, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 805, 806,
&end
#
# 46 ASN QB 47 PRO HB3 5.34 (#peak 1022)
&rst
ixpk= 1022, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 760, 761,
&end
#
# 46 ASN QB 48 GLN HN 3.81 (#peak 39)
&rst
ixpk= 39, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 760, 761,
&end
#
# 47 PRO HB2 71 VAL QQG 4.18 (#peak 1830)
&rst
ixpk= 1830, nxpk= 0, iat= 777,1154, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, &end
#
# 47 PRO QG 71 VAL QQG 5.33 (#peak 1224)
&rst
ixpk= 1224, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 774, 775,
&end
#
# 49 SER HN 49 SER QB 3.47 (#peak 504)
&rst
ixpk= 504, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 805, 806,
&end
#
# 49 SER QB 50 VAL HN 3.65 (#peak 642)
&rst
ixpk= 642, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 805, 806,
&end
#
# 49 SER QB 50 VAL QG2 4.66 (#peak 1355)
&rst
ixpk= 1355, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 805, 806,
igr2= 822, 823, 824,
&end
#
# 51 ARG HN 71 VAL QQG 3.39 (#peak 133)
&rst
ixpk= 133, nxpk= 0, iat= 828,1154, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 51 ARG HA 71 VAL QQG 3.96 (#peak 1824)
&rst
ixpk= 1824, nxpk= 0, iat= 830,1154, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 51 ARG QB 71 VAL QQG 3.89 (#peak 1399)
&rst
ixpk= 1399, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 832, 833,
&end
#
# 51 ARG HG2 71 VAL QQG 3.88 (#peak 1831)
&rst
ixpk= 1831, nxpk= 0, iat= 835,1154, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 51 ARG HD3 71 VAL QQG 5.14 (#peak 1826)
&rst
ixpk= 1826, nxpk= 0, iat= 839,1154, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, &end
#
# 52 ASP HN 71 VAL QQG 5.07 (#peak 528)
&rst
ixpk= 528, nxpk= 0, iat= 852,1154, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, &end
#
# 54 ILE HA 69 LEU QQD 4.92 (#peak 1778)
&rst
ixpk= 1778, nxpk= 0, iat= 876,1123, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, &end
#
# 54 ILE HG12 69 LEU QQD 3.32 (#peak 1786)
&rst
ixpk= 1786, nxpk= 0, iat= 884,1123, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 54 ILE QD1 69 LEU QQD 3.11 (#peak 1785)
&rst
ixpk= 1785, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 887, 888, 889,
&end
#
# 54 ILE QD1 71 VAL QQG 3.42 (#peak 1833)
&rst
ixpk= 1833, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 887, 888, 889,
&end
#
# 55 GLU HN 69 LEU QQD 4.24 (#peak 486)
&rst
ixpk= 486, nxpk= 0, iat= 893,1123, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, &end
#
# 55 GLU QB 69 LEU QQD 4.49 (#peak 1581)
&rst
ixpk= 1581, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 897, 898,
&end
#
# 55 GLU HG2 69 LEU QQD 4.04 (#peak 1780)
&rst
ixpk= 1780, nxpk= 0, iat= 900,1123, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, &end
#
# 58 SER HN 69 LEU QQD 5.41 (#peak 1756)
&rst
ixpk= 1756, nxpk= 0, iat= 934,1123, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, &end
#
# 58 SER QB 69 LEU QQD 3.63 (#peak 1670)
&rst
ixpk= 1670, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 938, 939,
&end
#
# 63 PHE HN 64 GLY QA 4.54 (#peak 1710)
&rst
ixpk= 1710, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1030,1031,
&end
#
# 69 LEU HN 69 LEU QQD 3.47 (#peak 13)
&rst
ixpk= 13, nxpk= 0, iat=1117,1123, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 69 LEU HA 69 LEU QQD 3.40 (#peak 1775)
&rst
ixpk= 1775, nxpk= 0, iat=1119,1123, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 69 LEU HB2 69 LEU QQD 2.83 (#peak 1781)
&rst
ixpk= 1781, nxpk= 0, iat=1121,1123, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 69 LEU HB3 69 LEU QQD 2.75 (#peak 1765)
&rst
ixpk= 1765, nxpk= 0, iat=1122,1123, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 69 LEU QQD 70 GLU HN 3.17 (#peak 591)
&rst
ixpk= 591, nxpk= 0, iat=1123,1136, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 69 LEU QQD 71 VAL HA 3.79 (#peak 1806)
&rst
ixpk= 1806, nxpk= 0, iat=1123,1153, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 71 VAL HN 71 VAL QQG 2.83 (#peak 72)
&rst
ixpk= 72, nxpk= 0, iat=1151,1154, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 71 VAL HA 71 VAL QQG 2.91 (#peak 1849)
&rst
ixpk= 1849, nxpk= 0, iat=1153,1154, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 71 VAL QQG 72 SER HN 3.26 (#peak 68)
&rst
ixpk= 68, nxpk= 0, iat=1154,1167, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
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