NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
494500 |
2l53   |
17264 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 55 VAL H 71 MET QE 5.37 (#peak 14 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 14, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
rk2=00.0, rk3=32.0, ir6=1, ialtd=0,
igr2=1056,1057,1058,
&end
#
# 71 MET HB3 72 MET H 4.47 (#peak 18 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 18, nxpk= 0, iat=1050,1062, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 46 ALA H 47 GLU H 3.42 (#peak 109 #SUP 0.99 #QF 0.87;)
&rst
ixpk= 109, nxpk= 0, iat= 682, 692, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 46 ALA H 46 ALA QB 3.04 (#peak 110 #SUP 0.98 #QF 0.88;)
&rst
ixpk= 110, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 686, 687, 688,
&end
#
# 73 ALA H 73 ALA QB 3.29 (#peak 110 #SUP 0.98 #QF 0.88;)
&rst
ixpk= 110, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1083,1084,1085,
&end
#
# 88 ALA QB 159 VAL H 4.65 (#peak 113 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 113, nxpk= 0, iat= -1,2389, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1330,1331,1332,
&end
#
# 122 ASP HB2 123 GLU H 4.55 (#peak 115 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 115, nxpk= 0, iat=1855,1863, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 123 GLU H 123 GLU HG3 5.08 (#peak 115 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 115, nxpk= 0, iat=1863,1871, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 50 ASP HB3 51 MET H 4.13 (#peak 118 #SUP 0.91 #QF 0.55;)
&rst
ixpk= 118, nxpk= 0, iat= 748, 755, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 57 ALA H 58 ASP H 3.37 (#peak 120 #SUP 0.96 #QF 0.40;)
&rst
ixpk= 120, nxpk= 0, iat= 848, 858, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 95 ASP QB 97 ASN H 4.14 (#peak 122 #SUP 0.96 #QF 0.73;)
&rst
ixpk= 122, nxpk= 0, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1454,1455,
&end
#
# 97 ASN H 97 ASN HB2 4.40 (#peak 122 #SUP 0.96 #QF 0.73;)
&rst
ixpk= 122, nxpk= 0, iat=1469,1473, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 119 GLU HA 122 ASP H 4.73 (#peak 123 #SUP 0.98 #QF 0.89;)
&rst
ixpk= 123, nxpk= 0, iat=1807,1851, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 120 GLU HA 122 ASP H 5.27 (#peak 123 #SUP 0.98 #QF 0.89;)
&rst
ixpk= 123, nxpk= 0, iat=1822,1851, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 119 GLU QG 120 GLU H 5.11 (#peak 127 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 127, nxpk= 0, iat= -1,1820, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1812,1813,
&end
#
# 120 GLU H 123 GLU QB 5.78 (#peak 127 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 127, nxpk= 0, iat=1820, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1867,1868,
&end
#
# 139 GLU HB3 140 GLU H 4.43 (#peak 130 #SUP 0.98 #QF 0.77;)
&rst
ixpk= 130, nxpk= 0, iat=2105,2115, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 32 LEU HB3 34 THR H 4.87 (#peak 133 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 133, nxpk= 0, iat= 479, 500, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 73 ALA H 74 ARG QB 5.31 (#peak 135 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 135, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1093,1094,
&end
#
# 54 GLU HA 56 ASP H 5.74 (#peak 137 #SUP 0.98 #QF 0.67;)
&rst
ixpk= 137, nxpk= 0, iat= 807, 836, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 56 ASP H 57 ALA HA 6.17 (#peak 137 #SUP 0.98 #QF 0.67;)
&rst
ixpk= 137, nxpk= 0, iat= 836, 850, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, &end
#
# 67 GLU HA 70 THR H 4.67 (#peak 141 #SUP 0.80 #QF 0.65;)
&rst
ixpk= 141, nxpk= 0, iat= 979,1031, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 68 PHE HA 70 THR H 5.04 (#peak 141 #SUP 0.80 #QF 0.65;)
&rst
ixpk= 141, nxpk= 0, iat= 994,1031, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 81 SER H 84 GLU HB2 5.03 (#peak 147 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 147, nxpk= 0, iat=1212,1257, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 84 GLU HB2 85 ILE H 4.61 (#peak 148 #SUP 0.96 #QF 0.95;)
&rst
ixpk= 148, nxpk= 0, iat=1257,1268, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 153 GLU QB 157 ALA H 6.12 (#peak 150 #SUP 0.99 #QF 0.94;)
&rst
ixpk= 150, nxpk= 0, iat= -1,2362, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=2309,2310,
&end
#
# 157 ALA H 158 MET QE 6.75 (#peak 150 #SUP 0.99 #QF 0.94;)
&rst
ixpk= 150, nxpk= 0, iat=2362, -1, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61,
igr2=2383,2384,2385,
&end
#
# 154 GLU H 154 GLU QB 3.21 (#peak 151 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 151, nxpk= 0, iat=2320, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2324,2325,
&end
#
# 154 GLU QG 157 ALA H 5.63 (#peak 154 #SUP 0.97 #QF 0.41;)
&rst
ixpk= 154, nxpk= 0, iat= -1,2362, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=2327,2328,
&end
#
# 157 ALA H 158 MET QB 5.86 (#peak 154 #SUP 0.97 #QF 0.41;)
&rst
ixpk= 154, nxpk= 0, iat=2362, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=2376,2377,
&end
#
# 68 PHE H 68 PHE QD 4.54 (#peak 158 #SUP 0.82 #QF 0.59;)
&rst
ixpk= 158, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1000,1008,
&end
#
# 89 PHE HA 92 PHE H 4.70 (#peak 161 #SUP 1.00 #QF 0.85;)
&rst
ixpk= 161, nxpk= 0, iat=1338,1396, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 89 PHE HA 91 VAL H 5.11 (#peak 163 #SUP 1.00 #QF 0.34;)
&rst
ixpk= 163, nxpk= 0, iat=1338,1380, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 164 PHE HB2 165 ARG H 4.34 (#peak 166 #SUP 0.93 #QF 0.91;)
&rst
ixpk= 166, nxpk= 0, iat=2479,2495, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 167 HIS HB3 168 LEU H 4.73 (#peak 170 #SUP 0.98 #QF 0.68;)
&rst
ixpk= 170, nxpk= 0, iat=2548,2560, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 100 ILE HA 101 SER H 3.35 (#peak 171 #SUP 1.00 #QF 0.96;)
&rst
ixpk= 171, nxpk= 0, iat=1513,1530, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 62 THR QG2 63 ILE H 3.68 (#peak 172 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 172, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 904, 905, 906,
&end
#
# 28 THR H 62 THR QG2 4.36 (#peak 173 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 173, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 904, 905, 906,
&end
#
# 27 ILE H 63 ILE H 4.05 (#peak 174 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 174, nxpk= 0, iat= 390, 912, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 85 ILE H 85 ILE HB 3.95 (#peak 177 #SUP 0.98 #QF 0.76;)
&rst
ixpk= 177, nxpk= 0, iat=1268,1272, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 85 ILE QD1 86 ARG H 4.64 (#peak 179 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 179, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1281,1282,1283,
&end
#
# 160 ILE HB 162 ARG H 5.55 (#peak 180 #SUP 0.99 #QF 0.39;)
&rst
ixpk= 180, nxpk= 0, iat=2409,2441, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 9 ILE QG2 12 PHE H 5.44 (#peak 181 #SUP 0.92 #QF 0.87;)
&rst
ixpk= 181, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 129, 130, 131,
&end
#
# 13 LYS H 69 LEU QD2 5.68 (#peak 185 #SUP 0.98 #QF 0.94;)
&rst
ixpk= 185, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr2=1025,1026,1027,
&end
#
# 77 LYS HA 79 THR H 4.12 (#peak 188 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 188, nxpk= 0, iat=1154,1186, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 94 LYS H 94 LYS HG2 4.35 (#peak 190 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 190, nxpk= 0, iat=1428,1435, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 105 LEU HB2 106 ARG H 4.86 (#peak 191 #SUP 0.99 #QF 0.75;)
&rst
ixpk= 191, nxpk= 0, iat=1580,1595, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 39 LEU H 39 LEU QB 3.39 (#peak 197 #SUP 0.97 #QF 0.96;)
&rst
ixpk= 197, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 586, 587,
&end
#
# 39 LEU H 39 LEU HG 3.82 (#peak 197 #SUP 0.97 #QF 0.96;)
&rst
ixpk= 197, nxpk= 0, iat= 582, 589, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 8 GLN HB2 9 ILE H 4.18 (#peak 206 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 206, nxpk= 0, iat= 110, 123, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 4 LEU H 4 LEU HG 4.54 (#peak 207 #SUP 0.99 #QF 0.97;)
&rst
ixpk= 207, nxpk= 0, iat= 43, 50, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 174 LYS H 174 LYS QB 3.40 (#peak 211 #SUP 0.69 #QF 0.69;)
&rst
ixpk= 211, nxpk= 0, iat=2669, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=2673,2674,
&end
#
# 111 ASN H 112 LEU HG 6.75 (#peak 214 #SUP 0.93 #QF 0.84;)
&rst
ixpk= 214, nxpk= 0, iat=1683,1704, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 109 MET HB3 110 THR H 4.95 (#peak 215 #SUP 1.00 #QF 0.98;)
&rst
ixpk= 215, nxpk= 0, iat=1657,1669, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 144 MET HB2 145 MET H 4.60 (#peak 216 #SUP 0.95 #QF 0.72;)
&rst
ixpk= 216, nxpk= 0, iat=2187,2200, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 145 MET H 145 MET QG 4.85 (#peak 216 #SUP 0.95 #QF 0.72;)
&rst
ixpk= 216, nxpk= 0, iat=2200, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2207,2208,
&end
#
# 154 GLU H 154 GLU QG 4.27 (#peak 217 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 217, nxpk= 0, iat=2320, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=2327,2328,
&end
#
# 71 MET HB2 72 MET H 4.47 (#peak 219 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 219, nxpk= 0, iat=1049,1062, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 72 MET HA 75 LYS H 4.09 (#peak 220 #SUP 0.98 #QF 0.70;)
&rst
ixpk= 220, nxpk= 0, iat=1064,1113, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 76 MET HG2 77 LYS H 6.38 (#peak 222 #SUP 0.90 #QF 0.87;)
&rst
ixpk= 222, nxpk= 0, iat=1142,1152, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, &end
#
# 76 MET H 76 MET HG2 4.02 (#peak 223 #SUP 0.97 #QF 0.77;)
&rst
ixpk= 223, nxpk= 0, iat=1135,1142, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 97 ASN HB2 99 TYR H 4.67 (#peak 224 #SUP 0.98 #QF 0.51;)
&rst
ixpk= 224, nxpk= 0, iat=1473,1490, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 150 PRO QG 151 GLY H 5.81 (#peak 227 #SUP 0.88 #QF 0.69;)
&rst
ixpk= 227, nxpk= 0, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=2277,2278,
&end
#
# 41 GLN HB3 42 ASN H 4.79 (#peak 232 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 232, nxpk= 0, iat= 613, 625, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 8 GLN HB3 9 ILE H 3.98 (#peak 236 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 236, nxpk= 0, iat= 111, 123, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 5 THR H 8 GLN H 4.88 (#peak 238 #SUP 0.99 #QF 0.27;)
&rst
ixpk= 238, nxpk= 0, iat= 62, 106, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 37 ARG H 37 ARG QB 3.26 (#peak 243 #SUP 0.91 #QF 0.87;)
&rst
ixpk= 243, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 551, 552,
&end
#
# 37 ARG H 37 ARG QG 3.75 (#peak 243 #SUP 0.91 #QF 0.87;)
&rst
ixpk= 243, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 554, 555,
&end
#
# 86 ARG QB 87 GLU H 3.70 (#peak 247 #SUP 0.99 #QF 0.50;)
&rst
ixpk= 247, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1291,1292,
&end
#
# 90 ARG QB 91 VAL H 4.16 (#peak 248 #SUP 1.00;)
&rst
ixpk= 248, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1360,1361,
&end
#
# 165 ARG H 166 ARG H 3.95 (#peak 250 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 250, nxpk= 0, iat=2495,2519, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 17 SER QB 20 ASP H 5.73 (#peak 251 #SUP 1.00;)
&rst
ixpk= 251, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 258, 259,
&end
#
# 20 ASP H 21 LYS HA 6.21 (#peak 251 #SUP 1.00;)
&rst
ixpk= 251, nxpk= 0, iat= 304, 318, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, &end
#
# 28 THR H 31 GLU H 5.05 (#peak 254 #SUP 0.97 #QF 0.91;)
&rst
ixpk= 254, nxpk= 0, iat= 409, 459, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 29 THR H 31 GLU H 5.53 (#peak 254 #SUP 0.97 #QF 0.91;)
&rst
ixpk= 254, nxpk= 0, iat= 423, 459, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 5 THR H 8 GLN HB2 3.41 (#peak 257 #SUP 0.88 #QF 0.56;)
&rst
ixpk= 257, nxpk= 0, iat= 62, 110, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 36 MET H 36 MET HB2 3.77 (#peak 260 #SUP 0.92 #QF 0.41;)
&rst
ixpk= 260, nxpk= 0, iat= 530, 534, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 54 GLU H 55 VAL QG1 5.42 (#peak 262 #SUP 0.96 #QF 0.40;)
&rst
ixpk= 262, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 826, 827, 828,
&end
#
# 54 GLU H 55 VAL QG2 5.42 (#peak 262 #SUP 0.96 #QF 0.40;)
&rst
ixpk= 262, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 830, 831, 832,
&end
#
# 55 VAL H 55 VAL QG1 3.48 (#peak 263 #SUP 0.99 #QF 0.65;)
&rst
ixpk= 263, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 826, 827, 828,
&end
#
# 156 SER HA 158 MET H 5.29 (#peak 264 #SUP 0.99 #QF 0.98;)
&rst
ixpk= 264, nxpk= 0, iat=2353,2372, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 139 GLU HA 142 VAL H 5.68 (#peak 270 #SUP 0.99 #QF 0.93;)
&rst
ixpk= 270, nxpk= 0, iat=2102,2150, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 140 GLU HA 142 VAL H 5.69 (#peak 270 #SUP 0.99 #QF 0.93;)
&rst
ixpk= 270, nxpk= 0, iat=2117,2150, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 99 TYR QD 138 TYR H 5.19 (#peak 272 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 272, nxpk= 0, iat= -1,2079, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1498,1507,
&end
#
# 138 TYR H 138 TYR QE 5.57 (#peak 272 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 272, nxpk= 0, iat=2079, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2=2089,2094,
&end
#
# 71 MET H 71 MET HB3 3.81 (#peak 273 #SUP 1.00;)
&rst
ixpk= 273, nxpk= 0, iat=1045,1050, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 1 ALA HA 3 GLN H 4.28 (#peak 275 #SUP 0.66 #QF 0.66;)
&rst
ixpk= 275, nxpk= 0, iat= 6, 26, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 1 ALA QB 2 ASP H 4.62 (#peak 276 #SUP 1.00;)
&rst
ixpk= 276, nxpk= 0, iat= -1, 14, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 8, 9, 10,
&end
#
# 1 ALA QB 3 GLN H 5.57 (#peak 277 #SUP 0.98 #QF 0.97;)
&rst
ixpk= 277, nxpk= 0, iat= -1, 26, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 8, 9, 10,
&end
#
# 3 GLN H 73 ALA QB 6.15 (#peak 277 #SUP 0.98 #QF 0.97;)
&rst
ixpk= 277, nxpk= 0, iat= 26, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1083,1084,1085,
&end
#
# 2 ASP H 2 ASP QB 4.08 (#peak 281 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 281, nxpk= 0, iat= 14, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 18, 19,
&end
#
# 2 ASP H 3 GLN H 4.67 (#peak 282 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 282, nxpk= 0, iat= 14, 26, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 3 GLN HB3 4 LEU H 4.45 (#peak 286 #SUP 1.00;)
&rst
ixpk= 286, nxpk= 0, iat= 31, 43, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 3 GLN H 3 GLN QG 4.41 (#peak 287 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 287, nxpk= 0, iat= 26, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 33, 34,
&end
#
# 4 LEU HB3 5 THR H 4.64 (#peak 292 #SUP 0.97 #QF 0.94;)
&rst
ixpk= 292, nxpk= 0, iat= 48, 62, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 4 LEU HG 5 THR H 5.03 (#peak 292 #SUP 0.97 #QF 0.94;)
&rst
ixpk= 292, nxpk= 0, iat= 50, 62, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 4 LEU H 4 LEU QD2 5.16 (#peak 293 #SUP 0.97 #QF 0.90;)
&rst
ixpk= 293, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 56, 57, 58,
&end
#
# 5 THR HA 7 GLU H 4.86 (#peak 297 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 297, nxpk= 0, iat= 64, 91, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 5 THR HB 6 GLU H 3.39 (#peak 298 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 298, nxpk= 0, iat= 66, 76, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 5 THR HB 7 GLU H 3.74 (#peak 299 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 299, nxpk= 0, iat= 66, 91, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 5 THR HB 8 GLN H 4.50 (#peak 300 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 300, nxpk= 0, iat= 66, 106, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 THR QG2 6 GLU H 3.92 (#peak 301 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 301, nxpk= 0, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 68, 69, 70,
&end
#
# 5 THR QG2 7 GLU H 4.70 (#peak 302 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 302, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 68, 69, 70,
&end
#
# 6 GLU H 8 GLN H 5.02 (#peak 304 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 304, nxpk= 0, iat= 76, 106, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 6 GLU HA 10 ALA H 5.02 (#peak 307 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 307, nxpk= 0, iat= 78, 142, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 6 GLU H 7 GLU H 3.74 (#peak 310 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 310, nxpk= 0, iat= 76, 91, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 7 GLU H 8 GLN H 3.58 (#peak 311 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 311, nxpk= 0, iat= 91, 106, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 7 GLU H 7 GLU HG2 4.33 (#peak 315 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 315, nxpk= 0, iat= 91, 98, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 7 GLU H 7 GLU HG3 4.33 (#peak 316 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 316, nxpk= 0, iat= 91, 99, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 8 GLN HA 10 ALA H 4.81 (#peak 321 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 321, nxpk= 0, iat= 108, 142, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 8 GLN H 8 GLN HB2 3.94 (#peak 323 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 323, nxpk= 0, iat= 106, 110, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 5 THR H 9 ILE H 4.88 (#peak 324 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 324, nxpk= 0, iat= 62, 123, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 7 GLU H 9 ILE H 5.04 (#peak 325 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 325, nxpk= 0, iat= 91, 123, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 8 GLN H 9 ILE H 3.56 (#peak 326 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 326, nxpk= 0, iat= 106, 123, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 9 ILE H 9 ILE HB 3.41 (#peak 331 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 331, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 7 GLU H 10 ALA QB 5.28 (#peak 341 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 341, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 146, 147, 148,
&end
#
# 10 ALA H 11 GLU QB 4.79 (#peak 349 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 349, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 156, 157,
&end
#
# 11 GLU H 11 GLU QB 3.30 (#peak 350 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 350, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 156, 157,
&end
#
# 12 PHE H 12 PHE HB3 4.07 (#peak 358 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 358, nxpk= 0, iat= 167, 172, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 12 PHE H 12 PHE HB2 3.95 (#peak 360 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 360, nxpk= 0, iat= 167, 171, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 13 LYS HA 15 ALA H 5.61 (#peak 366 #SUP 0.97 #QF 0.94;)
&rst
ixpk= 366, nxpk= 0, iat= 189, 224, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 15 ALA H 16 PHE HA 6.22 (#peak 366 #SUP 0.97 #QF 0.94;)
&rst
ixpk= 366, nxpk= 0, iat= 224, 236, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, &end
#
# 13 LYS HB2 14 GLU H 4.33 (#peak 368 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 368, nxpk= 0, iat= 191, 209, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 14 GLU H 14 GLU QB 3.18 (#peak 377 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 377, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 213, 214,
&end
#
# 14 GLU QG 15 ALA H 4.68 (#peak 380 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 380, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 216, 217,
&end
#
# 15 ALA QB 17 SER H 4.89 (#peak 388 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 388, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 228, 229, 230,
&end
#
# 16 PHE HA 19 PHE H 4.89 (#peak 391 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 391, nxpk= 0, iat= 236, 284, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 16 PHE H 16 PHE HB2 3.65 (#peak 394 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 394, nxpk= 0, iat= 234, 238, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 16 PHE HB2 17 SER H 4.48 (#peak 395 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 395, nxpk= 0, iat= 238, 254, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 16 PHE H 16 PHE QD 4.54 (#peak 398 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 398, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 242, 250,
&end
#
# 16 PHE H 18 LEU H 4.96 (#peak 410 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 410, nxpk= 0, iat= 234, 265, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 39 LEU H 39 LEU QD2 4.16 (#peak 414 #SUP 1.00;)
&rst
ixpk= 414, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 595, 596, 597,
&end
#
# 18 LEU HB2 19 PHE H 4.50 (#peak 415 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 415, nxpk= 0, iat= 269, 284, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 LEU HB3 19 PHE H 4.50 (#peak 416 #SUP 0.70 #QF 0.70;)
&rst
ixpk= 416, nxpk= 0, iat= 270, 284, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 PHE H 19 PHE HB2 4.01 (#peak 420 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 420, nxpk= 0, iat= 284, 288, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 20 ASP HA 21 LYS H 3.06 (#peak 425 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 425, nxpk= 0, iat= 306, 316, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 20 ASP H 20 ASP HB2 3.65 (#peak 427 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 427, nxpk= 0, iat= 304, 308, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 20 ASP HB2 21 LYS H 4.95 (#peak 428 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 428, nxpk= 0, iat= 308, 316, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 20 ASP HB2 26 THR H 5.02 (#peak 429 #SUP 0.53 #QF 0.53;)
&rst
ixpk= 429, nxpk= 0, iat= 308, 376, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 19 PHE H 20 ASP HB3 4.84 (#peak 430 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 430, nxpk= 0, iat= 284, 309, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 20 ASP H 20 ASP HB3 3.52 (#peak 431 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 431, nxpk= 0, iat= 304, 309, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 20 ASP HB3 21 LYS H 4.96 (#peak 432 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 432, nxpk= 0, iat= 309, 316, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 21 LYS H 21 LYS QB 3.10 (#peak 436 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 436, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 320, 321,
&end
#
# 21 LYS QB 22 ASP H 3.78 (#peak 437 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 437, nxpk= 0, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 320, 321,
&end
#
# 21 LYS H 21 LYS QG 3.64 (#peak 438 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 438, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 323, 324,
&end
#
# 21 LYS QG 22 ASP H 4.54 (#peak 439 #SUP 1.00;)
&rst
ixpk= 439, nxpk= 0, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 323, 324,
&end
#
# 21 LYS H 22 ASP H 3.42 (#peak 440 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 440, nxpk= 0, iat= 316, 338, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 22 ASP H 23 GLY H 3.15 (#peak 441 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 441, nxpk= 0, iat= 338, 350, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 22 ASP H 22 ASP HB2 3.95 (#peak 445 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 445, nxpk= 0, iat= 338, 342, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 22 ASP HB2 23 GLY H 4.64 (#peak 446 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 446, nxpk= 0, iat= 342, 350, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 22 ASP H 22 ASP HB3 3.95 (#peak 447 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 447, nxpk= 0, iat= 338, 343, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 22 ASP HB3 23 GLY H 4.64 (#peak 448 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 448, nxpk= 0, iat= 343, 350, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 23 GLY H 24 ASP H 3.61 (#peak 450 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 450, nxpk= 0, iat= 350, 357, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 24 ASP H 24 ASP HB3 4.28 (#peak 460 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 460, nxpk= 0, iat= 357, 362, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 24 ASP HB3 26 THR H 5.32 (#peak 461 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 461, nxpk= 0, iat= 362, 376, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 24 ASP H 26 THR H 4.23 (#peak 466 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 466, nxpk= 0, iat= 357, 376, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 21 LYS H 27 ILE HA 4.89 (#peak 474 #SUP 0.51 #QF 0.51;)
&rst
ixpk= 474, nxpk= 0, iat= 316, 392, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 26 THR H 27 ILE HA 5.12 (#peak 475 #SUP 0.53 #QF 0.53;)
&rst
ixpk= 475, nxpk= 0, iat= 376, 392, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 27 ILE HA 28 THR H 3.53 (#peak 477 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 477, nxpk= 0, iat= 392, 409, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 27 ILE HB 28 THR H 3.54 (#peak 478 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 478, nxpk= 0, iat= 394, 409, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 27 ILE QD1 32 LEU H 4.85 (#peak 483 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 483, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 403, 404, 405,
&end
#
# 19 PHE H 27 ILE QG2 4.77 (#peak 484 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 484, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 396, 397, 398,
&end
#
# 21 LYS H 27 ILE QG2 4.74 (#peak 486 #SUP 1.00;)
&rst
ixpk= 486, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 396, 397, 398,
&end
#
# 28 THR H 28 THR QG2 3.83 (#peak 496 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 496, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 415, 416, 417,
&end
#
# 28 THR QG2 31 GLU H 4.73 (#peak 499 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 499, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 415, 416, 417,
&end
#
# 29 THR HA 31 GLU H 4.59 (#peak 503 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 503, nxpk= 0, iat= 425, 459, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 29 THR QG2 56 ASP H 5.23 (#peak 507 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 507, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 429, 430, 431,
&end
#
# 29 THR H 30 LYS QB 5.18 (#peak 513 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 513, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 441, 442,
&end
#
# 30 LYS QG 31 GLU H 4.99 (#peak 518 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 518, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 444, 445,
&end
#
# 31 GLU HA 34 THR H 4.15 (#peak 523 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 523, nxpk= 0, iat= 461, 500, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 31 GLU QG 32 LEU H 5.17 (#peak 527 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 527, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 466, 467,
&end
#
# 32 LEU H 32 LEU HB3 3.55 (#peak 533 #SUP 0.98 #QF 0.27;)
&rst
ixpk= 533, nxpk= 0, iat= 474, 479, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 32 LEU QD2 35 VAL H 6.02 (#peak 536 #SUP 0.95 #QF 0.89;)
&rst
ixpk= 536, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 487, 488, 489,
&end
#
# 85 ILE QG2 163 ALA H 6.01 (#peak 536 #SUP 0.95 #QF 0.89;)
&rst
ixpk= 536, nxpk= 0, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1=1274,1275,1276,
&end
#
# 34 THR HA 38 SER H 5.32 (#peak 547 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 547, nxpk= 0, iat= 502, 571, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 34 THR HB 35 VAL H 3.66 (#peak 549 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 549, nxpk= 0, iat= 504, 514, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 34 THR H 34 THR QG2 4.05 (#peak 550 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 550, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 506, 507, 508,
&end
#
# 35 VAL H 35 VAL HB 3.42 (#peak 556 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 556, nxpk= 0, iat= 514, 518, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 36 MET H 36 MET HB3 3.77 (#peak 567 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 567, nxpk= 0, iat= 530, 535, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 36 MET HB3 37 ARG H 4.23 (#peak 568 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 568, nxpk= 0, iat= 535, 547, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 37 ARG H 38 SER H 3.70 (#peak 571 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 571, nxpk= 0, iat= 547, 571, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 37 ARG HA 41 GLN H 4.51 (#peak 574 #SUP 0.48 #QF 0.48;)
&rst
ixpk= 574, nxpk= 0, iat= 549, 608, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 37 ARG QB 38 SER H 3.62 (#peak 577 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 577, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 551, 552,
&end
#
# 38 SER H 38 SER HB2 3.75 (#peak 583 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 583, nxpk= 0, iat= 571, 575, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 38 SER H 39 LEU H 3.58 (#peak 584 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 584, nxpk= 0, iat= 571, 582, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 39 LEU QB 40 GLY H 4.21 (#peak 589 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 589, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 586, 587,
&end
#
# 39 LEU QB 41 GLN H 4.19 (#peak 590 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 590, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 586, 587,
&end
#
# 39 LEU H 41 GLN H 4.74 (#peak 598 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 598, nxpk= 0, iat= 582, 608, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 40 GLY H 41 GLN H 3.75 (#peak 599 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 599, nxpk= 0, iat= 601, 608, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 41 GLN HA 42 ASN H 3.65 (#peak 601 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 601, nxpk= 0, iat= 610, 625, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 41 GLN HB2 42 ASN H 4.79 (#peak 603 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 603, nxpk= 0, iat= 612, 625, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 42 ASN H 42 ASN HB2 4.37 (#peak 606 #SUP 1.00;)
&rst
ixpk= 606, nxpk= 0, iat= 625, 629, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 42 ASN H 42 ASN HB3 4.37 (#peak 607 #SUP 1.00;)
&rst
ixpk= 607, nxpk= 0, iat= 625, 630, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 42 ASN H 43 PRO HA 5.04 (#peak 608 #SUP 0.66 #QF 0.66;)
&rst
ixpk= 608, nxpk= 0, iat= 625, 649, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 42 ASN H 43 PRO HD2 4.97 (#peak 609 #SUP 1.00;)
&rst
ixpk= 609, nxpk= 0, iat= 625, 640, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 44 THR H 47 GLU H 4.73 (#peak 610 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 610, nxpk= 0, iat= 653, 692, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 44 THR HB 45 GLU H 3.56 (#peak 613 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 613, nxpk= 0, iat= 657, 667, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 44 THR HB 46 ALA H 3.78 (#peak 614 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 614, nxpk= 0, iat= 657, 682, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 44 THR HB 47 GLU H 4.27 (#peak 615 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 615, nxpk= 0, iat= 657, 692, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 44 THR HB 48 LEU H 5.03 (#peak 616 #SUP 0.28 #QF 0.28;)
&rst
ixpk= 616, nxpk= 0, iat= 657, 707, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 45 GLU H 45 GLU QG 3.87 (#peak 622 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 622, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 674, 675,
&end
#
# 47 GLU H 48 LEU H 3.69 (#peak 629 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 629, nxpk= 0, iat= 692, 707, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 47 GLU HA 50 ASP H 4.15 (#peak 632 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 632, nxpk= 0, iat= 694, 743, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 47 GLU H 47 GLU HB3 3.83 (#peak 635 #SUP 0.90 #QF 0.87;)
&rst
ixpk= 635, nxpk= 0, iat= 692, 697, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 144 MET H 144 MET HB3 4.07 (#peak 635 #SUP 0.90 #QF 0.87;)
&rst
ixpk= 635, nxpk= 0, iat=2183,2188, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 48 LEU H 48 LEU HB2 3.95 (#peak 637 #SUP 1.00;)
&rst
ixpk= 637, nxpk= 0, iat= 707, 711, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 48 LEU HB2 49 GLN H 4.03 (#peak 638 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 638, nxpk= 0, iat= 711, 726, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 48 LEU H 48 LEU HG 4.38 (#peak 641 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 641, nxpk= 0, iat= 707, 714, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 33 GLY H 52 ILE QD1 4.63 (#peak 642 #SUP 0.84 #QF 0.52;)
&rst
ixpk= 642, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 785, 786, 787,
&end
#
# 34 THR H 48 LEU QD1 6.83 (#peak 643 #SUP 0.95 #QF 0.88;)
&rst
ixpk= 643, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr2= 716, 717, 718,
&end
#
# 34 THR H 48 LEU QD2 6.83 (#peak 643 #SUP 0.95 #QF 0.88;)
&rst
ixpk= 643, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr2= 720, 721, 722,
&end
#
# 48 LEU H 48 LEU QD1 5.10 (#peak 644 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 644, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 716, 717, 718,
&end
#
# 48 LEU H 48 LEU QD2 5.10 (#peak 644 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 644, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 720, 721, 722,
&end
#
# 49 GLN HA 53 ASN H 4.99 (#peak 650 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 650, nxpk= 0, iat= 728, 791, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 49 GLN H 49 GLN QB 3.14 (#peak 651 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 651, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 730, 731,
&end
#
# 49 GLN QB 50 ASP H 3.52 (#peak 652 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 652, nxpk= 0, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 730, 731,
&end
#
# 50 ASP HA 52 ILE H 4.91 (#peak 659 #SUP 0.63 #QF 0.63;)
&rst
ixpk= 659, nxpk= 0, iat= 745, 772, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 51 MET HB3 52 ILE H 4.12 (#peak 668 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 668, nxpk= 0, iat= 760, 772, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 52 ILE HA 54 GLU H 4.99 (#peak 674 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 674, nxpk= 0, iat= 774, 805, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 52 ILE HA 56 ASP H 4.64 (#peak 676 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 676, nxpk= 0, iat= 774, 836, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 51 MET H 52 ILE HB 5.28 (#peak 678 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 678, nxpk= 0, iat= 755, 776, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 52 ILE QG2 53 ASN H 3.97 (#peak 681 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 681, nxpk= 0, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 778, 779, 780,
&end
#
# 53 ASN H 53 ASN HB2 3.98 (#peak 685 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 685, nxpk= 0, iat= 791, 795, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 53 ASN HB2 54 GLU H 4.41 (#peak 686 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 686, nxpk= 0, iat= 795, 805, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 53 ASN H 54 GLU QB 4.66 (#peak 692 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 692, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 809, 810,
&end
#
# 54 GLU H 54 GLU QB 3.17 (#peak 693 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 693, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 809, 810,
&end
#
# 54 GLU QB 55 VAL H 3.62 (#peak 694 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 694, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 809, 810,
&end
#
# 54 GLU QB 56 ASP H 5.32 (#peak 695 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 695, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 809, 810,
&end
#
# 55 VAL HA 57 ALA H 4.81 (#peak 699 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 699, nxpk= 0, iat= 822, 848, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 55 VAL QG1 56 ASP H 4.18 (#peak 702 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 702, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 826, 827, 828,
&end
#
# 54 GLU H 56 ASP H 4.91 (#peak 705 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 705, nxpk= 0, iat= 805, 836, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 56 ASP HA 59 GLY H 4.97 (#peak 711 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 711, nxpk= 0, iat= 838, 870, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 56 ASP H 56 ASP HB2 3.78 (#peak 712 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 712, nxpk= 0, iat= 836, 840, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 56 ASP HB2 57 ALA H 5.16 (#peak 713 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 713, nxpk= 0, iat= 840, 848, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 56 ASP H 56 ASP HB3 3.78 (#peak 714 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 714, nxpk= 0, iat= 836, 841, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 56 ASP HB3 57 ALA H 5.16 (#peak 715 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 715, nxpk= 0, iat= 841, 848, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 56 ASP H 57 ALA H 4.12 (#peak 716 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 716, nxpk= 0, iat= 836, 848, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 57 ALA HA 59 GLY H 4.70 (#peak 720 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 720, nxpk= 0, iat= 850, 870, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 57 ALA QB 58 ASP H 3.51 (#peak 722 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 722, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 852, 853, 854,
&end
#
# 57 ALA QB 59 GLY H 4.87 (#peak 723 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 723, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 852, 853, 854,
&end
#
# 58 ASP H 59 GLY H 3.46 (#peak 725 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 725, nxpk= 0, iat= 858, 870, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 58 ASP H 58 ASP HB2 3.78 (#peak 729 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 729, nxpk= 0, iat= 858, 862, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 58 ASP H 58 ASP HB3 3.78 (#peak 731 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 731, nxpk= 0, iat= 858, 863, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 58 ASP H 59 GLY QA 4.85 (#peak 735 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 735, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 872, 873,
&end
#
# 59 GLY H 60 ASN H 3.69 (#peak 739 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 739, nxpk= 0, iat= 870, 877, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 60 ASN H 62 THR H 4.69 (#peak 741 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 741, nxpk= 0, iat= 877, 898, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 60 ASN HA 62 THR H 4.84 (#peak 744 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 744, nxpk= 0, iat= 879, 898, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 60 ASN H 60 ASN QB 3.57 (#peak 745 #SUP 1.00;)
&rst
ixpk= 745, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 881, 882,
&end
#
# 60 ASN QB 61 GLY H 4.55 (#peak 746 #SUP 1.00;)
&rst
ixpk= 746, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 881, 882,
&end
#
# 60 ASN QB 62 THR H 4.11 (#peak 747 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 747, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 881, 882,
&end
#
# 60 ASN H 61 GLY H 3.71 (#peak 749 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 749, nxpk= 0, iat= 877, 891, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 61 GLY H 62 THR H 3.65 (#peak 750 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 750, nxpk= 0, iat= 891, 898, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 62 THR HB 63 ILE H 3.61 (#peak 759 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 759, nxpk= 0, iat= 902, 912, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 62 THR H 62 THR QG2 3.96 (#peak 760 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 760, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 904, 905, 906,
&end
#
# 62 THR H 63 ILE H 5.01 (#peak 763 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 763, nxpk= 0, iat= 898, 912, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 63 ILE HA 64 ASP H 3.35 (#peak 765 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 765, nxpk= 0, iat= 914, 931, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 63 ILE H 63 ILE HB 4.00 (#peak 767 #SUP 1.00;)
&rst
ixpk= 767, nxpk= 0, iat= 912, 916, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 63 ILE HB 64 ASP H 4.68 (#peak 768 #SUP 1.00;)
&rst
ixpk= 768, nxpk= 0, iat= 916, 931, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 63 ILE QG2 64 ASP H 3.79 (#peak 772 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 772, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 918, 919, 920,
&end
#
# 63 ILE QG2 67 GLU H 4.70 (#peak 773 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 773, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 918, 919, 920,
&end
#
# 64 ASP H 64 ASP HB2 4.30 (#peak 777 #SUP 1.00;)
&rst
ixpk= 777, nxpk= 0, iat= 931, 935, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 64 ASP HB2 65 PHE H 4.08 (#peak 778 #SUP 1.00;)
&rst
ixpk= 778, nxpk= 0, iat= 935, 943, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 65 PHE HA 68 PHE H 3.93 (#peak 781 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 781, nxpk= 0, iat= 945, 992, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 65 PHE HA 69 LEU H 4.24 (#peak 782 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 782, nxpk= 0, iat= 945,1012, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 65 PHE H 66 PRO HG2 5.64 (#peak 788 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 788, nxpk= 0, iat= 943, 967, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 67 GLU HB2 68 PHE H 4.24 (#peak 792 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 792, nxpk= 0, iat= 981, 992, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 64 ASP H 67 GLU HB3 4.04 (#peak 793 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 793, nxpk= 0, iat= 931, 982, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 67 GLU HB3 68 PHE H 4.24 (#peak 794 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 794, nxpk= 0, iat= 982, 992, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 67 GLU H 67 GLU HG3 4.69 (#peak 795 #SUP 1.00;)
&rst
ixpk= 795, nxpk= 0, iat= 977, 985, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 68 PHE HA 71 MET H 4.35 (#peak 797 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 797, nxpk= 0, iat= 994,1045, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 68 PHE HB2 69 LEU H 4.40 (#peak 800 #SUP 1.00;)
&rst
ixpk= 800, nxpk= 0, iat= 996,1012, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 69 LEU H 71 MET H 5.08 (#peak 804 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 804, nxpk= 0, iat=1012,1045, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 69 LEU H 69 LEU HB3 3.87 (#peak 808 #SUP 1.00;)
&rst
ixpk= 808, nxpk= 0, iat=1012,1017, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 69 LEU HB3 70 THR H 4.34 (#peak 809 #SUP 1.00 #QF 0.94;)
&rst
ixpk= 809, nxpk= 0, iat=1017,1031, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 70 THR H 70 THR QG2 4.65 (#peak 809 #SUP 1.00 #QF 0.94;)
&rst
ixpk= 809, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1037,1038,1039,
&end
#
# 69 LEU HG 70 THR H 4.87 (#peak 813 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 813, nxpk= 0, iat=1019,1031, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 70 THR QG2 71 MET H 4.26 (#peak 820 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 820, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1037,1038,1039,
&end
#
# 70 THR H 71 MET QE 6.35 (#peak 823 #SUP 0.82 #QF 0.75;)
&rst
ixpk= 823, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr2=1056,1057,1058,
&end
#
# 72 MET H 72 MET HB3 4.25 (#peak 830 #SUP 0.62 #QF 0.62;)
&rst
ixpk= 830, nxpk= 0, iat=1062,1067, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 72 MET H 72 MET HG2 4.32 (#peak 831 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 831, nxpk= 0, iat=1062,1069, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 72 MET H 72 MET HG3 4.32 (#peak 832 #SUP 1.00;)
&rst
ixpk= 832, nxpk= 0, iat=1062,1070, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 73 ALA H 75 LYS H 4.87 (#peak 834 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 834, nxpk= 0, iat=1079,1113, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 73 ALA HA 76 MET H 4.71 (#peak 836 #SUP 0.92 #QF 0.33;)
&rst
ixpk= 836, nxpk= 0, iat=1081,1135, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 69 LEU HB2 71 MET H 5.78 (#peak 837 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 837, nxpk= 0, iat=1016,1045, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 74 ARG H 74 ARG HG3 4.55 (#peak 843 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 843, nxpk= 0, iat=1089,1097, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 75 LYS HB3 76 MET H 4.29 (#peak 852 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 852, nxpk= 0, iat=1118,1135, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 75 LYS H 75 LYS QG 4.26 (#peak 853 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 853, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1120,1121,
&end
#
# 76 MET H 77 LYS H 4.64 (#peak 855 #SUP 1.00;)
&rst
ixpk= 855, nxpk= 0, iat=1135,1152, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 76 MET H 76 MET HB2 4.24 (#peak 857 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 857, nxpk= 0, iat=1135,1139, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 76 MET H 76 MET HB3 4.24 (#peak 858 #SUP 1.00;)
&rst
ixpk= 858, nxpk= 0, iat=1135,1140, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 77 LYS H 78 ASP H 4.69 (#peak 861 #SUP 1.00;)
&rst
ixpk= 861, nxpk= 0, iat=1152,1174, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 77 LYS H 77 LYS QB 3.41 (#peak 863 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 863, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1156,1157,
&end
#
# 77 LYS QB 78 ASP H 4.12 (#peak 864 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 864, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1156,1157,
&end
#
# 77 LYS QB 79 THR H 4.98 (#peak 865 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 865, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1156,1157,
&end
#
# 78 ASP H 79 THR H 3.72 (#peak 869 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 869, nxpk= 0, iat=1174,1186, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 78 ASP HA 79 THR H 3.72 (#peak 871 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 871, nxpk= 0, iat=1176,1186, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 78 ASP H 78 ASP HB2 4.14 (#peak 872 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 872, nxpk= 0, iat=1174,1178, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 78 ASP HB2 79 THR H 4.60 (#peak 873 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 873, nxpk= 0, iat=1178,1186, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 79 THR H 80 ASP H 4.86 (#peak 877 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 877, nxpk= 0, iat=1186,1200, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 80 ASP HA 81 SER H 3.59 (#peak 882 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 882, nxpk= 0, iat=1202,1212, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 80 ASP H 80 ASP QB 3.92 (#peak 883 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 883, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1204,1205,
&end
#
# 80 ASP QB 81 SER H 4.33 (#peak 884 #SUP 1.00;)
&rst
ixpk= 884, nxpk= 0, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1204,1205,
&end
#
# 80 ASP H 81 SER H 4.85 (#peak 885 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 885, nxpk= 0, iat=1200,1212, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 81 SER H 84 GLU H 5.03 (#peak 886 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 886, nxpk= 0, iat=1212,1253, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 81 SER HA 84 GLU H 5.01 (#peak 889 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 889, nxpk= 0, iat=1214,1253, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 81 SER H 81 SER HB2 4.27 (#peak 890 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 890, nxpk= 0, iat=1212,1216, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 81 SER H 81 SER HB3 4.27 (#peak 892 #SUP 1.00;)
&rst
ixpk= 892, nxpk= 0, iat=1212,1217, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 82 GLU HA 85 ILE H 4.99 (#peak 897 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 897, nxpk= 0, iat=1225,1268, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 82 GLU H 82 GLU HB2 4.06 (#peak 898 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 898, nxpk= 0, iat=1223,1227, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 82 GLU H 82 GLU HB3 4.06 (#peak 899 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 899, nxpk= 0, iat=1223,1228, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 81 SER H 84 GLU HB3 5.03 (#peak 908 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 908, nxpk= 0, iat=1212,1258, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 84 GLU HB3 85 ILE H 4.61 (#peak 909 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 909, nxpk= 0, iat=1258,1268, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 85 ILE HA 88 ALA H 4.57 (#peak 915 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 915, nxpk= 0, iat=1270,1326, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 85 ILE HB 86 ARG H 3.96 (#peak 916 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 916, nxpk= 0, iat=1272,1287, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 86 ARG H 86 ARG QB 3.69 (#peak 923 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 923, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1291,1292,
&end
#
# 87 GLU H 88 ALA H 3.76 (#peak 924 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 924, nxpk= 0, iat=1311,1326, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 86 ARG HA 88 ALA H 5.00 (#peak 925 #SUP 1.00 #QF 0.50;)
&rst
ixpk= 925, nxpk= 0, iat=1289,1326, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 GLU QB 88 ALA H 3.93 (#peak 926 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 926, nxpk= 0, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1315,1316,
&end
#
# 87 GLU QG 88 ALA H 4.63 (#peak 928 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 928, nxpk= 0, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1318,1319,
&end
#
# 87 GLU H 88 ALA QB 5.01 (#peak 934 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 934, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1330,1331,1332,
&end
#
# 88 ALA QB 89 PHE H 3.65 (#peak 936 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 936, nxpk= 0, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1330,1331,1332,
&end
#
# 89 PHE HB3 90 ARG H 4.49 (#peak 942 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 942, nxpk= 0, iat=1341,1356, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 86 ARG HE 89 PHE QD 5.39 (#peak 943 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 943, nxpk= 0, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1344,1352,
&end
#
# 88 ALA H 90 ARG H 4.89 (#peak 944 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 944, nxpk= 0, iat=1326,1356, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 90 ARG HA 93 ASP H 4.39 (#peak 947 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 947, nxpk= 0, iat=1358,1416, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 89 PHE H 90 ARG QB 4.71 (#peak 948 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 948, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1360,1361,
&end
#
# 90 ARG H 90 ARG QB 3.39 (#peak 949 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 949, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1360,1361,
&end
#
# 90 ARG H 90 ARG QD 4.97 (#peak 950 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 950, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1366,1367,
&end
#
# 91 VAL HA 93 ASP H 4.43 (#peak 954 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 954, nxpk= 0, iat=1382,1416, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 91 VAL HB 92 PHE H 4.13 (#peak 956 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 956, nxpk= 0, iat=1384,1396, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 92 PHE H 93 ASP H 3.42 (#peak 962 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 962, nxpk= 0, iat=1396,1416, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 93 ASP H 93 ASP HB2 3.84 (#peak 973 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 973, nxpk= 0, iat=1416,1420, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 93 ASP H 93 ASP HB3 3.84 (#peak 975 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 975, nxpk= 0, iat=1416,1421, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 94 LYS QB 95 ASP H 3.79 (#peak 981 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 981, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1432,1433,
&end
#
# 94 LYS H 94 LYS QD 4.78 (#peak 982 #SUP 1.00;)
&rst
ixpk= 982, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1438,1439,
&end
#
# 95 ASP H 96 GLY H 3.48 (#peak 984 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 984, nxpk= 0, iat=1450,1462, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 95 ASP H 95 ASP QB 3.40 (#peak 988 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 988, nxpk= 0, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1454,1455,
&end
#
# 95 ASP QB 96 GLY H 4.05 (#peak 989 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 989, nxpk= 0, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1454,1455,
&end
#
# 96 GLY H 97 ASN H 3.81 (#peak 991 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 991, nxpk= 0, iat=1462,1469, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 95 ASP QB 98 GLY H 5.47 (#peak 1004 #SUP 0.99 #QF 0.40;)
&rst
ixpk= 1004, nxpk= 0, iat= -1,1483, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1454,1455,
&end
#
# 97 ASN H 97 ASN HB3 4.40 (#peak 1005 #SUP 0.67 #QF 0.67;)
&rst
ixpk= 1005, nxpk= 0, iat=1469,1474, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 97 ASN H 98 GLY H 3.68 (#peak 1010 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1010, nxpk= 0, iat=1469,1483, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 98 GLY H 99 TYR H 3.69 (#peak 1011 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1011, nxpk= 0, iat=1483,1490, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 97 ASN H 99 TYR H 4.50 (#peak 1016 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1016, nxpk= 0, iat=1469,1490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 TYR HB2 100 ILE H 4.25 (#peak 1022 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 1022, nxpk= 0, iat=1494,1511, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 99 TYR H 99 TYR QD 4.49 (#peak 1023 #SUP 0.99 #QF 0.96;)
&rst
ixpk= 1023, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1498,1507,
&end
#
# 99 TYR H 138 TYR QE 4.82 (#peak 1023 #SUP 0.99 #QF 0.96;)
&rst
ixpk= 1023, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=2089,2094,
&end
#
# 100 ILE H 138 TYR H 4.99 (#peak 1025 #SUP 1.00;)
&rst
ixpk= 1025, nxpk= 0, iat=1511,2079, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 91 VAL HB 93 ASP H 5.35 (#peak 1027 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 1027, nxpk= 0, iat=1384,1416, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 100 ILE H 100 ILE HB 4.34 (#peak 1028 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 1028, nxpk= 0, iat=1511,1515, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 100 ILE HB 101 SER H 3.96 (#peak 1029 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 1029, nxpk= 0, iat=1515,1530, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 101 SER HA 102 ALA H 3.46 (#peak 1036 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 1036, nxpk= 0, iat=1532,1541, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 101 SER HA 103 ALA H 4.37 (#peak 1037 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1037, nxpk= 0, iat=1532,1551, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 101 SER HA 104 GLU H 4.86 (#peak 1038 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1038, nxpk= 0, iat=1532,1561, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 101 SER HB2 102 ALA H 4.60 (#peak 1040 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1040, nxpk= 0, iat=1534,1541, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 101 SER H 101 SER HB3 4.12 (#peak 1043 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1043, nxpk= 0, iat=1530,1535, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 102 ALA H 103 ALA H 3.94 (#peak 1047 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1047, nxpk= 0, iat=1541,1551, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 102 ALA HA 104 GLU H 4.61 (#peak 1050 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1050, nxpk= 0, iat=1543,1561, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 103 ALA H 104 GLU H 3.79 (#peak 1057 #SUP 1.00;)
&rst
ixpk= 1057, nxpk= 0, iat=1551,1561, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 104 GLU H 104 GLU HG2 4.87 (#peak 1062 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1062, nxpk= 0, iat=1561,1568, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 101 SER H 104 GLU QB 4.53 (#peak 1064 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1064, nxpk= 0, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1565,1566,
&end
#
# 103 ALA H 104 GLU QB 4.95 (#peak 1065 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 1065, nxpk= 0, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1565,1566,
&end
#
# 104 GLU H 104 GLU QB 3.52 (#peak 1066 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1066, nxpk= 0, iat=1561, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1565,1566,
&end
#
# 104 GLU QB 105 LEU H 4.04 (#peak 1067 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1067, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1565,1566,
&end
#
# 105 LEU H 105 LEU HB3 3.81 (#peak 1071 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1071, nxpk= 0, iat=1576,1581, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 105 LEU H 136 VAL QG2 5.43 (#peak 1074 #SUP 0.84 #QF 0.75;)
&rst
ixpk= 1074, nxpk= 0, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=2059,2060,2061,
&end
#
# 106 ARG H 106 ARG QB 3.45 (#peak 1081 #SUP 1.00;)
&rst
ixpk= 1081, nxpk= 0, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1599,1600,
&end
#
# 106 ARG QB 106 ARG HE 4.89 (#peak 1082 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1082, nxpk= 0, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1599,1600,
&end
#
# 106 ARG QG 107 HIS H 5.04 (#peak 1086 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1086, nxpk= 0, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1602,1603,
&end
#
# 107 HIS H 107 HIS HB3 3.73 (#peak 1092 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1092, nxpk= 0, iat=1619,1624, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 108 VAL HA 111 ASN H 4.89 (#peak 1096 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1096, nxpk= 0, iat=1638,1683, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 108 VAL HA 112 LEU H 4.66 (#peak 1098 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1098, nxpk= 0, iat=1638,1697, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 109 MET H 109 MET HG2 4.38 (#peak 1111 #SUP 1.00;)
&rst
ixpk= 1111, nxpk= 0, iat=1652,1659, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 109 MET H 109 MET HG3 4.38 (#peak 1112 #SUP 1.00;)
&rst
ixpk= 1112, nxpk= 0, iat=1652,1660, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 110 THR QG2 111 ASN H 4.68 (#peak 1124 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1124, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1675,1676,1677,
&end
#
# 111 ASN H 112 LEU H 3.40 (#peak 1128 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1128, nxpk= 0, iat=1683,1697, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 111 ASN H 111 ASN HB2 4.27 (#peak 1130 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1130, nxpk= 0, iat=1683,1687, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 111 ASN HB2 112 LEU H 4.55 (#peak 1131 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1131, nxpk= 0, iat=1687,1697, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 111 ASN HB3 112 LEU H 4.55 (#peak 1133 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1133, nxpk= 0, iat=1688,1697, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 111 ASN HD21 112 LEU H 4.99 (#peak 1135 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 1135, nxpk= 0, iat=1692,1697, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 112 LEU QD1 157 ALA H 6.06 (#peak 1143 #SUP 0.87 #QF 0.78;)
&rst
ixpk= 1143, nxpk= 0, iat= -1,2362, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1706,1707,1708,
&end
#
# 112 LEU QD2 157 ALA H 6.06 (#peak 1143 #SUP 0.87 #QF 0.78;)
&rst
ixpk= 1143, nxpk= 0, iat= -1,2362, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1710,1711,1712,
&end
#
# 112 LEU H 113 GLY QA 5.78 (#peak 1147 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1147, nxpk= 0, iat=1697, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1718,1719,
&end
#
# 114 GLU H 115 LYS H 4.81 (#peak 1150 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1150, nxpk= 0, iat=1723,1738, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 115 LYS H 115 LYS HG3 3.74 (#peak 1159 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1159, nxpk= 0, iat=1738,1746, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 115 LYS H 115 LYS QB 3.82 (#peak 1160 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 1160, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1742,1743,
&end
#
# 115 LYS QB 116 LEU H 4.39 (#peak 1161 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1161, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1742,1743,
&end
#
# 115 LYS H 116 LEU H 4.98 (#peak 1163 #SUP 1.00;)
&rst
ixpk= 1163, nxpk= 0, iat=1738,1760, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 116 LEU QB 117 THR H 4.61 (#peak 1166 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1166, nxpk= 0, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1764,1765,
&end
#
# 117 THR H 120 GLU H 4.89 (#peak 1170 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1170, nxpk= 0, iat=1779,1820, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 117 THR HA 118 ASP H 3.41 (#peak 1172 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 1172, nxpk= 0, iat=1781,1793, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 117 THR HA 119 GLU H 4.55 (#peak 1173 #SUP 0.69 #QF 0.69;)
&rst
ixpk= 1173, nxpk= 0, iat=1781,1805, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 117 THR HB 118 ASP H 3.57 (#peak 1174 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 1174, nxpk= 0, iat=1783,1793, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 117 THR HB 119 GLU H 4.09 (#peak 1175 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 1175, nxpk= 0, iat=1783,1805, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 118 ASP H 119 GLU H 3.93 (#peak 1178 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1178, nxpk= 0, iat=1793,1805, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 118 ASP H 118 ASP HB2 3.93 (#peak 1179 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1179, nxpk= 0, iat=1793,1797, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 118 ASP HB2 119 GLU H 4.13 (#peak 1180 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1180, nxpk= 0, iat=1797,1805, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 118 ASP HB3 119 GLU H 4.13 (#peak 1182 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1182, nxpk= 0, iat=1798,1805, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 119 GLU H 120 GLU H 3.92 (#peak 1188 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1188, nxpk= 0, iat=1805,1820, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 117 THR H 120 GLU HB2 4.41 (#peak 1191 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 1191, nxpk= 0, iat=1779,1824, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 117 THR H 120 GLU HB3 4.41 (#peak 1193 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1193, nxpk= 0, iat=1779,1825, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 120 GLU H 120 GLU HB3 4.25 (#peak 1194 #SUP 1.00;)
&rst
ixpk= 1194, nxpk= 0, iat=1820,1825, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 120 GLU H 120 GLU HG3 4.79 (#peak 1197 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 1197, nxpk= 0, iat=1820,1828, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 120 GLU H 121 VAL H 4.15 (#peak 1198 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1198, nxpk= 0, iat=1820,1835, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 121 VAL H 121 VAL HB 4.04 (#peak 1202 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1202, nxpk= 0, iat=1835,1839, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 121 VAL HB 122 ASP H 4.61 (#peak 1203 #SUP 1.00;)
&rst
ixpk= 1203, nxpk= 0, iat=1839,1851, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 122 ASP HB3 123 GLU H 4.55 (#peak 1215 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1215, nxpk= 0, iat=1856,1863, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 123 GLU H 123 GLU QB 3.46 (#peak 1220 #SUP 1.00;)
&rst
ixpk= 1220, nxpk= 0, iat=1863, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1867,1868,
&end
#
# 121 VAL H 124 MET H 5.35 (#peak 1222 #SUP 0.55 #QF 0.55;)
&rst
ixpk= 1222, nxpk= 0, iat=1835,1878, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 121 VAL HA 123 GLU H 4.87 (#peak 1224 #SUP 0.57 #QF 0.57;)
&rst
ixpk= 1224, nxpk= 0, iat=1837,1863, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 124 MET QG 125 ILE H 4.47 (#peak 1229 #SUP 0.70 #QF 0.70;)
&rst
ixpk= 1229, nxpk= 0, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1885,1886,
&end
#
# 125 ILE H 125 ILE QG2 4.40 (#peak 1237 #SUP 1.00;)
&rst
ixpk= 1237, nxpk= 0, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1901,1902,1903,
&end
#
# 126 ARG HB2 127 GLU H 4.57 (#peak 1245 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1245, nxpk= 0, iat=1918,1938, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 126 ARG HB3 127 GLU H 4.57 (#peak 1247 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1247, nxpk= 0, iat=1919,1938, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 126 ARG H 126 ARG HG2 5.00 (#peak 1248 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 1248, nxpk= 0, iat=1914,1921, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 127 GLU HA 130 ILE H 4.55 (#peak 1254 #SUP 0.55 #QF 0.55;)
&rst
ixpk= 1254, nxpk= 0, iat=1940,1975, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 127 GLU H 127 GLU HB2 4.19 (#peak 1255 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1255, nxpk= 0, iat=1938,1942, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 127 GLU H 127 GLU HG3 4.54 (#peak 1256 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1256, nxpk= 0, iat=1938,1946, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 128 ALA H 129 ASP H 4.03 (#peak 1257 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 1257, nxpk= 0, iat=1953,1963, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 128 ALA QB 129 ASP H 4.29 (#peak 1259 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 1259, nxpk= 0, iat= -1,1963, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1957,1958,1959,
&end
#
# 129 ASP H 129 ASP HB2 4.01 (#peak 1262 #SUP 1.00;)
&rst
ixpk= 1262, nxpk= 0, iat=1963,1967, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 129 ASP H 129 ASP HB3 4.01 (#peak 1263 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1263, nxpk= 0, iat=1963,1968, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 130 ILE H 130 ILE HG12 4.27 (#peak 1266 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 1266, nxpk= 0, iat=1975,1985, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 133 ASP H 133 ASP QB 4.18 (#peak 1271 #SUP 0.62 #QF 0.62;)
&rst
ixpk= 1271, nxpk= 0, iat=2013, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=2017,2018,
&end
#
# 100 ILE H 136 VAL HB 4.63 (#peak 1281 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1281, nxpk= 0, iat=1511,2053, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 136 VAL H 136 VAL QG2 4.35 (#peak 1287 #SUP 1.00;)
&rst
ixpk= 1287, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=2059,2060,2061,
&end
#
# 137 ASN H 138 TYR H 5.00 (#peak 1289 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1289, nxpk= 0, iat=2065,2079, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 137 ASN HB2 138 TYR H 5.08 (#peak 1294 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1294, nxpk= 0, iat=2069,2079, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 138 TYR H 138 TYR QB 4.11 (#peak 1298 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1298, nxpk= 0, iat=2079, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=2083,2084,
&end
#
# 139 GLU H 139 GLU HB3 3.93 (#peak 1307 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1307, nxpk= 0, iat=2100,2105, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 140 GLU QB 141 PHE H 4.26 (#peak 1312 #SUP 1.00;)
&rst
ixpk= 1312, nxpk= 0, iat= -1,2130, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=2119,2120,
&end
#
# 138 TYR H 141 PHE H 5.02 (#peak 1313 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 1313, nxpk= 0, iat=2079,2130, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 140 GLU H 141 PHE H 3.84 (#peak 1314 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1314, nxpk= 0, iat=2115,2130, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 141 PHE HB2 142 VAL H 4.62 (#peak 1319 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1319, nxpk= 0, iat=2134,2150, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 141 PHE H 142 VAL H 4.17 (#peak 1320 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1320, nxpk= 0, iat=2130,2150, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 142 VAL H 143 GLN H 4.24 (#peak 1321 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1321, nxpk= 0, iat=2150,2166, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 142 VAL HA 144 MET H 4.95 (#peak 1324 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1324, nxpk= 0, iat=2152,2183, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 86 ARG H 142 VAL QG1 4.74 (#peak 1328 #SUP 0.73 #QF 0.73;)
&rst
ixpk= 1328, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=2156,2157,2158,
&end
#
# 86 ARG H 142 VAL QG2 4.74 (#peak 1331 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1331, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=2160,2161,2162,
&end
#
# 93 ASP H 100 ILE QG2 5.38 (#peak 1332 #SUP 0.78 #QF 0.25;)
&rst
ixpk= 1332, nxpk= 0, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=1517,1518,1519,
&end
#
# 142 VAL QG2 143 GLN H 4.78 (#peak 1334 #SUP 1.00;)
&rst
ixpk= 1334, nxpk= 0, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=2160,2161,2162,
&end
#
# 143 GLN HA 146 THR H 5.03 (#peak 1337 #SUP 0.67 #QF 0.67;)
&rst
ixpk= 1337, nxpk= 0, iat=2168,2217, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 141 PHE H 144 MET QE 4.70 (#peak 1344 #SUP 0.71 #QF 0.71;)
&rst
ixpk= 1344, nxpk= 0, iat=2130, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=2194,2195,2196,
&end
#
# 145 MET H 146 THR H 3.80 (#peak 1346 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1346, nxpk= 0, iat=2200,2217, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 145 MET H 145 MET HB3 3.97 (#peak 1351 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1351, nxpk= 0, iat=2200,2205, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 145 MET QG 146 THR H 4.81 (#peak 1354 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 1354, nxpk= 0, iat= -1,2217, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2207,2208,
&end
#
# 145 MET H 146 THR QG2 4.82 (#peak 1356 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1356, nxpk= 0, iat=2200, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=2223,2224,2225,
&end
#
# 146 THR H 147 ALA QB 4.78 (#peak 1363 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 1363, nxpk= 0, iat=2217, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=2235,2236,2237,
&end
#
# 148 LYS H 148 LYS HB2 4.25 (#peak 1367 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1367, nxpk= 0, iat=2241,2245, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 148 LYS H 148 LYS HB3 4.25 (#peak 1368 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1368, nxpk= 0, iat=2241,2246, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 150 PRO HA 151 GLY H 3.66 (#peak 1369 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1369, nxpk= 0, iat=2283,2287, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 152 SER HB2 153 GLU H 4.94 (#peak 1375 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1375, nxpk= 0, iat=2298,2305, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 152 SER H 153 GLU H 4.69 (#peak 1377 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1377, nxpk= 0, iat=2294,2305, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 153 GLU H 153 GLU QB 3.79 (#peak 1382 #SUP 0.78 #QF 0.62;)
&rst
ixpk= 1382, nxpk= 0, iat=2305, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=2309,2310,
&end
#
# 113 GLY H 154 GLU QB 5.28 (#peak 1387 #SUP 0.94 #QF 0.90;)
&rst
ixpk= 1387, nxpk= 0, iat=1716, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2324,2325,
&end
#
# 113 GLY H 158 MET QE 5.87 (#peak 1387 #SUP 0.94 #QF 0.90;)
&rst
ixpk= 1387, nxpk= 0, iat=1716, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2=2383,2384,2385,
&end
#
# 113 GLY H 154 GLU QG 4.79 (#peak 1388 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 1388, nxpk= 0, iat=1716, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2327,2328,
&end
#
# 154 GLU QG 155 VAL H 4.83 (#peak 1389 #SUP 1.00;)
&rst
ixpk= 1389, nxpk= 0, iat= -1,2335, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=2327,2328,
&end
#
# 154 GLU H 155 VAL H 3.78 (#peak 1390 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1390, nxpk= 0, iat=2320,2335, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 155 VAL H 158 MET QE 4.48 (#peak 1393 #SUP 0.96 #QF 0.95;)
&rst
ixpk= 1393, nxpk= 0, iat=2335, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2383,2384,2385,
&end
#
# 154 GLU H 155 VAL QG2 4.99 (#peak 1397 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1397, nxpk= 0, iat=2320, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2345,2346,2347,
&end
#
# 157 ALA HA 160 ILE H 4.94 (#peak 1403 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1403, nxpk= 0, iat=2364,2405, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 114 GLU H 158 MET HA 5.00 (#peak 1408 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 1408, nxpk= 0, iat=1723,2374, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 158 MET HA 161 GLN H 4.66 (#peak 1411 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 1411, nxpk= 0, iat=2374,2424, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 158 MET HA 162 ARG H 4.96 (#peak 1412 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 1412, nxpk= 0, iat=2374,2441, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 158 MET H 158 MET HG2 4.45 (#peak 1414 #SUP 1.00;)
&rst
ixpk= 1414, nxpk= 0, iat=2372,2379, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 114 GLU H 158 MET HG3 4.87 (#peak 1415 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1415, nxpk= 0, iat=1723,2380, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 158 MET H 158 MET HG3 4.45 (#peak 1416 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1416, nxpk= 0, iat=2372,2380, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 158 MET H 158 MET QE 4.02 (#peak 1419 #SUP 0.60 #QF 0.60;)
&rst
ixpk= 1419, nxpk= 0, iat=2372, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=2383,2384,2385,
&end
#
# 159 VAL HB 160 ILE H 4.18 (#peak 1424 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1424, nxpk= 0, iat=2393,2405, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 85 ILE HG12 163 ALA H 5.29 (#peak 1427 #SUP 0.82 #QF 0.78;)
&rst
ixpk= 1427, nxpk= 0, iat=1278,2465, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 160 ILE H 160 ILE QG2 4.39 (#peak 1440 #SUP 1.00;)
&rst
ixpk= 1440, nxpk= 0, iat=2405, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=2411,2412,2413,
&end
#
# 161 GLN HA 164 PHE H 4.95 (#peak 1446 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1446, nxpk= 0, iat=2426,2475, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 161 GLN H 161 GLN HG2 4.50 (#peak 1447 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1447, nxpk= 0, iat=2424,2431, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 161 GLN H 161 GLN HG3 4.50 (#peak 1448 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1448, nxpk= 0, iat=2424,2432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 161 GLN HB2 162 ARG H 4.42 (#peak 1451 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 1451, nxpk= 0, iat=2428,2441, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 162 ARG H 162 ARG QG 4.63 (#peak 1457 #SUP 1.00;)
&rst
ixpk= 1457, nxpk= 0, iat=2441, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2448,2449,
&end
#
# 164 PHE H 164 PHE HB2 3.86 (#peak 1467 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1467, nxpk= 0, iat=2475,2479, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 164 PHE H 164 PHE HB3 3.75 (#peak 1468 #SUP 1.00;)
&rst
ixpk= 1468, nxpk= 0, iat=2475,2480, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 164 PHE HB3 165 ARG H 4.61 (#peak 1470 #SUP 1.00;)
&rst
ixpk= 1470, nxpk= 0, iat=2480,2495, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 165 ARG H 165 ARG HB3 4.21 (#peak 1480 #SUP 0.59 #QF 0.59;)
&rst
ixpk= 1480, nxpk= 0, iat=2495,2500, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 165 ARG H 165 ARG QG 4.38 (#peak 1483 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 1483, nxpk= 0, iat=2495, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=2502,2503,
&end
#
# 163 ALA QB 167 HIS H 6.01 (#peak 1486 #SUP 0.94 #QF 0.67;)
&rst
ixpk= 1486, nxpk= 0, iat= -1,2543, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1=2469,2470,2471,
&end
#
# 163 ALA H 166 ARG QB 5.40 (#peak 1488 #SUP 0.76 #QF 0.76;)
&rst
ixpk= 1488, nxpk= 0, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=2523,2524,
&end
#
# 164 PHE H 166 ARG QB 5.37 (#peak 1489 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 1489, nxpk= 0, iat=2475, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=2523,2524,
&end
#
# 165 ARG H 166 ARG QB 5.60 (#peak 1490 #SUP 0.71 #QF 0.34;)
&rst
ixpk= 1490, nxpk= 0, iat=2495, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=2523,2524,
&end
#
# 166 ARG H 166 ARG QB 3.41 (#peak 1491 #SUP 1.00;)
&rst
ixpk= 1491, nxpk= 0, iat=2519, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=2523,2524,
&end
#
# 166 ARG QB 167 HIS H 4.06 (#peak 1492 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1492, nxpk= 0, iat= -1,2543, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=2523,2524,
&end
#
# 166 ARG H 166 ARG QD 4.91 (#peak 1493 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 1493, nxpk= 0, iat=2519, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2529,2530,
&end
#
# 167 HIS HB2 168 LEU H 4.73 (#peak 1499 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1499, nxpk= 0, iat=2547,2560, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 167 HIS H 167 HIS HB3 3.87 (#peak 1500 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1500, nxpk= 0, iat=2543,2548, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 168 LEU H 168 LEU HG 4.57 (#peak 1506 #SUP 1.00;)
&rst
ixpk= 1506, nxpk= 0, iat=2560,2567, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 168 LEU H 168 LEU QD1 4.40 (#peak 1507 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1507, nxpk= 0, iat=2560, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2569,2570,2571,
&end
#
# 170 GLN H 170 GLN HG2 4.73 (#peak 1517 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1517, nxpk= 0, iat=2598,2605, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 171 ARG H 171 ARG QB 3.70 (#peak 1522 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1522, nxpk= 0, iat=2615, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=2619,2620,
&end
#
# 171 ARG QB 172 SER H 3.93 (#peak 1523 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1523, nxpk= 0, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2619,2620,
&end
#
# 171 ARG QG 172 SER H 4.71 (#peak 1525 #SUP 1.00;)
&rst
ixpk= 1525, nxpk= 0, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=2622,2623,
&end
#
# 172 SER H 172 SER QB 3.60 (#peak 1528 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1528, nxpk= 0, iat=2639, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2643,2644,
&end
#
# 172 SER QB 173 LEU H 4.20 (#peak 1529 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 1529, nxpk= 0, iat= -1,2650, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=2643,2644,
&end
#
# 173 LEU QD1 174 LYS H 4.99 (#peak 1533 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1533, nxpk= 0, iat= -1,2669, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2659,2660,2661,
&end
#
# 6 GLU HG3 9 ILE QD1 5.05 (#peak 22 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 22, nxpk= 0, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 136, 137, 138,
&end
#
# 166 ARG HA 169 LEU QQD 5.09 (#peak 37 #SUP 0.24 #QF 0.24;)
&rst
ixpk= 37, nxpk= 0, iat=2521, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2=2588,2589,2590,2592,2593,2594,
&end
#
# 13 LYS HA 13 LYS HD3 5.02 (#peak 67 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 67, nxpk= 0, iat= 189, 198, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 4 LEU QD2 73 ALA QB 4.22 (#peak 72 #SUP 0.91 #QF 0.60;)
&rst
ixpk= 72, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 56, 57, 58,
igr2=1083,1084,1085,
&end
#
# 3 GLN HA 73 ALA QB 4.67 (#peak 73 #SUP 0.55 #QF 0.55;)
&rst
ixpk= 73, nxpk= 0, iat= 28, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1083,1084,1085,
&end
#
# 75 LYS QG 75 LYS HE2 4.15 (#peak 75 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 75, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1120,1121,
&end
#
# 160 ILE HB 161 GLN HA 5.01 (#peak 99 #SUP 0.28 #QF 0.28;)
&rst
ixpk= 99, nxpk= 0, iat=2409,2426, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 99 TYR HB3 100 ILE HG12 5.37 (#peak 127 #SUP 0.48 #QF 0.48;)
&rst
ixpk= 127, nxpk= 0, iat=1495,1521, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 100 ILE HB 136 VAL HB 5.66 (#peak 184 #SUP 0.74 #QF 0.36;)
&rst
ixpk= 184, nxpk= 0, iat=1515,2053, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 154 GLU QB 154 GLU QG 2.94 (#peak 188 #SUP 0.51 #QF 0.51;)
&rst
ixpk= 188, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=2324,2325,
igr2=2327,2328,
&end
#
# 46 ALA HA 49 GLN QG 5.81 (#peak 193 #SUP 0.86 #QF 0.83;)
&rst
ixpk= 193, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 733, 734,
&end
#
# 87 GLU QG 88 ALA HA 6.23 (#peak 193 #SUP 0.86 #QF 0.83;)
&rst
ixpk= 193, nxpk= 0, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1318,1319,
&end
#
# 80 ASP QB 85 ILE QD1 4.79 (#peak 199 #SUP 0.47 #QF 0.47;)
&rst
ixpk= 199, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1204,1205,
igr2=1281,1282,1283,
&end
#
# 52 ILE HA 71 MET QE 4.25 (#peak 245 #SUP 0.61 #QF 0.61;)
&rst
ixpk= 245, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1056,1057,1058,
&end
#
# 13 LYS HA 13 LYS HD2 5.02 (#peak 257 #SUP 1.00;)
&rst
ixpk= 257, nxpk= 0, iat= 189, 197, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 89 PHE HA 100 ILE QG2 4.83 (#peak 274 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 274, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1517,1518,1519,
&end
#
# 80 ASP HA 85 ILE QD1 5.70 (#peak 318 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 318, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1281,1282,1283,
&end
#
# 111 ASN HA 115 LYS HD3 5.13 (#peak 329 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 329, nxpk= 0, iat=1685,1749, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 115 LYS H 115 LYS HD3 5.09 (#peak 347 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 347, nxpk= 0, iat=1738,1749, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 86 ARG HD2 89 PHE QD 4.67 (#peak 360 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 360, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1344,1352,
&end
#
# 139 GLU HB2 140 GLU H 4.43 (#peak 373 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 373, nxpk= 0, iat=2104,2115, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 56 ASP H 63 ILE HG12 5.72 (#peak 422 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 422, nxpk= 0, iat= 836, 922, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 56 ASP H 63 ILE QD1 5.21 (#peak 424 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 424, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 925, 926, 927,
&end
#
# 5 THR H 8 GLN HG3 5.16 (#peak 430 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 430, nxpk= 0, iat= 62, 114, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 63 ILE H 63 ILE HG12 4.87 (#peak 436 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 436, nxpk= 0, iat= 912, 922, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 13 LYS H 14 GLU QB 5.11 (#peak 441 #SUP 0.48 #QF 0.48;)
&rst
ixpk= 441, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 213, 214,
&end
#
# 105 LEU HA 105 LEU QD2 4.95 (#peak 442 #SUP 1.00 #QF 0.65;)
&rst
ixpk= 442, nxpk= 0, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1589,1590,1591,
&end
#
# 102 ALA H 136 VAL QG2 4.20 (#peak 443 #SUP 0.95 #QF 0.72;)
&rst
ixpk= 443, nxpk= 0, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=2059,2060,2061,
&end
#
# 125 ILE QG2 125 ILE HG12 4.00 (#peak 445 #SUP 0.96 #QF 0.62;)
&rst
ixpk= 445, nxpk= 0, iat= -1,1905, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1901,1902,1903,
&end
#
# 128 ALA HA 136 VAL QG1 4.63 (#peak 451 #SUP 0.99 #QF 0.37;)
&rst
ixpk= 451, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=2055,2056,2057,
&end
#
# 128 ALA H 144 MET QE 5.87 (#peak 452 #SUP 0.89 #QF 0.28;)
&rst
ixpk= 452, nxpk= 0, iat=1953, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2=2194,2195,2196,
&end
#
# 144 MET QE 145 MET H 6.14 (#peak 452 #SUP 0.89 #QF 0.28;)
&rst
ixpk= 452, nxpk= 0, iat= -1,2200, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1=2194,2195,2196,
&end
#
# 18 LEU QD1 19 PHE HA 4.62 (#peak 453 #SUP 0.99 #QF 0.95;)
&rst
ixpk= 453, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 274, 275, 276,
&end
#
# 15 ALA QB 35 VAL QG1 4.66 (#peak 454 #SUP 0.93 #QF 0.89;)
&rst
ixpk= 454, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 228, 229, 230,
igr2= 520, 521, 522,
&end
#
# 45 GLU HA 48 LEU H 4.66 (#peak 457 #SUP 0.97 #QF 0.95;)
&rst
ixpk= 457, nxpk= 0, iat= 669, 707, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 72 MET QE 76 MET HG3 6.18 (#peak 460 #SUP 0.96 #QF 0.63;)
&rst
ixpk= 460, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92,
igr1=1073,1074,1075,
&end
#
# 157 ALA HA 160 ILE HB 4.53 (#peak 462 #SUP 0.99 #QF 0.45;)
&rst
ixpk= 462, nxpk= 0, iat=2364,2409, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 85 ILE QG2 88 ALA QB 4.25 (#peak 463 #SUP 0.98 #QF 0.86;)
&rst
ixpk= 463, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1274,1275,1276,
igr2=1330,1331,1332,
&end
#
# 88 ALA QB 160 ILE QD1 3.53 (#peak 464 #SUP 0.99 #QF 0.72;)
&rst
ixpk= 464, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1330,1331,1332,
igr2=2418,2419,2420,
&end
#
# 160 ILE HB 160 ILE QD1 3.86 (#peak 464 #SUP 0.99 #QF 0.72;)
&rst
ixpk= 464, nxpk= 0, iat=2409, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=2418,2419,2420,
&end
#
# 88 ALA QB 159 VAL QG1 3.98 (#peak 465 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 465, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1330,1331,1332,
igr2=2395,2396,2397,
&end
#
# 165 ARG HA 168 LEU HB2 4.98 (#peak 466 #SUP 0.58 #QF 0.58;)
&rst
ixpk= 466, nxpk= 0, iat=2497,2564, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 56 ASP HA 58 ASP H 4.15 (#peak 478 #SUP 0.99 #QF 0.98;)
&rst
ixpk= 478, nxpk= 0, iat= 838, 858, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 63 ILE QG2 68 PHE H 3.75 (#peak 484 #SUP 0.62 #QF 0.62;)
&rst
ixpk= 484, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 918, 919, 920,
&end
#
# 79 THR HB 80 ASP H 4.25 (#peak 487 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 487, nxpk= 0, iat=1190,1200, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 78 ASP H 79 THR QG2 4.70 (#peak 488 #SUP 1.00 #QF 0.48;)
&rst
ixpk= 488, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1192,1193,1194,
&end
#
# 119 GLU HA 119 GLU QG 3.64 (#peak 492 #SUP 0.89 #QF 0.76;)
&rst
ixpk= 492, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1812,1813,
&end
#
# 120 GLU HA 123 GLU QB 4.00 (#peak 492 #SUP 0.89 #QF 0.76;)
&rst
ixpk= 492, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1867,1868,
&end
#
# 11 GLU HA 11 GLU HG2 3.92 (#peak 494 #SUP 0.53 #QF 0.53;)
&rst
ixpk= 494, nxpk= 0, iat= 154, 159, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 116 LEU QD1 120 GLU HB2 6.22 (#peak 495 #SUP 0.94 #QF 0.89;)
&rst
ixpk= 495, nxpk= 0, iat= -1,1824, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=1769,1770,1771,
&end
#
# 116 LEU QD2 161 GLN HG3 5.73 (#peak 497 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 497, nxpk= 0, iat= -1,2432, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1=1773,1774,1775,
&end
#
# 127 GLU HA 144 MET QE 5.49 (#peak 499 #SUP 0.91 #QF 0.24;)
&rst
ixpk= 499, nxpk= 0, iat=1940, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=2194,2195,2196,
&end
#
# 144 MET HA 144 MET QE 5.78 (#peak 499 #SUP 0.91 #QF 0.24;)
&rst
ixpk= 499, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2=2194,2195,2196,
&end
#
# 139 GLU HA 139 GLU HG2 4.32 (#peak 500 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 500, nxpk= 0, iat=2102,2107, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 13 LYS HA 17 SER QB 4.82 (#peak 502 #SUP 0.71 #QF 0.71;)
&rst
ixpk= 502, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 258, 259,
&end
#
# 14 GLU QB 14 GLU QG 2.92 (#peak 503 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 503, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 213, 214,
igr2= 216, 217,
&end
#
# 34 THR HB 35 VAL HB 6.75 (#peak 506 #SUP 1.00 #QF 0.49;)
&rst
ixpk= 506, nxpk= 0, iat= 504, 518, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 6 GLU QB 6 GLU HG2 3.10 (#peak 510 #SUP 0.72 #QF 0.72;)
&rst
ixpk= 510, nxpk= 0, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 80, 81,
&end
#
# 45 GLU QG 46 ALA QB 5.59 (#peak 511 #SUP 0.81 #QF 0.23;)
&rst
ixpk= 511, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 674, 675,
igr2= 686, 687, 688,
&end
#
# 46 ALA QB 47 GLU QG 5.83 (#peak 511 #SUP 0.81 #QF 0.23;)
&rst
ixpk= 511, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 686, 687, 688,
igr2= 699, 700,
&end
#
# 127 GLU HA 127 GLU HG2 4.39 (#peak 518 #SUP 0.77 #QF 0.55;)
&rst
ixpk= 518, nxpk= 0, iat=1940,1945, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 63 ILE QG2 67 GLU HB2 4.13 (#peak 521 #SUP 0.93 #QF 0.89;)
&rst
ixpk= 521, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 918, 919, 920,
&end
#
# 63 ILE QG2 71 MET QE 4.19 (#peak 521 #SUP 0.93 #QF 0.89;)
&rst
ixpk= 521, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 918, 919, 920,
igr2=1056,1057,1058,
&end
#
# 6 GLU QB 6 GLU HG3 3.10 (#peak 524 #SUP 0.52 #QF 0.52;)
&rst
ixpk= 524, nxpk= 0, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 80, 81,
&end
#
# 5 THR HA 6 GLU QB 5.29 (#peak 526 #SUP 0.91 #QF 0.87;)
&rst
ixpk= 526, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 80, 81,
&end
#
# 44 THR HA 45 GLU QB 5.61 (#peak 526 #SUP 0.91 #QF 0.87;)
&rst
ixpk= 526, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 671, 672,
&end
#
# 153 GLU QB 157 ALA QB 5.54 (#peak 531 #SUP 0.95 #QF 0.67;)
&rst
ixpk= 531, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=2309,2310,
igr2=2366,2367,2368,
&end
#
# 154 GLU QB 157 ALA QB 6.34 (#peak 531 #SUP 0.95 #QF 0.67;)
&rst
ixpk= 531, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1=2324,2325,
igr2=2366,2367,2368,
&end
#
# 157 ALA QB 158 MET QE 6.22 (#peak 531 #SUP 0.95 #QF 0.67;)
&rst
ixpk= 531, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.97, r4= 9.47,
igr1=2366,2367,2368,
igr2=2383,2384,2385,
&end
#
# 153 GLU HA 153 GLU HG2 4.02 (#peak 532 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 532, nxpk= 0, iat=2307,2312, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 154 GLU HA 157 ALA QB 4.07 (#peak 535 #SUP 0.98 #QF 0.93;)
&rst
ixpk= 535, nxpk= 0, iat=2322, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=2366,2367,2368,
&end
#
# 165 ARG HA 168 LEU H 4.74 (#peak 536 #SUP 0.61 #QF 0.61;)
&rst
ixpk= 536, nxpk= 0, iat=2497,2560, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 155 VAL HA 158 MET QB 4.42 (#peak 537 #SUP 0.91 #QF 0.49;)
&rst
ixpk= 537, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2376,2377,
&end
#
# 29 THR QG2 52 ILE HA 5.35 (#peak 538 #SUP 0.95 #QF 0.79;)
&rst
ixpk= 538, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 429, 430, 431,
&end
#
# 8 GLN HA 12 PHE H 5.11 (#peak 539 #SUP 1.00 #QF 0.60;)
&rst
ixpk= 539, nxpk= 0, iat= 108, 167, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 27 ILE QD1 32 LEU HA 3.74 (#peak 547 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 547, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 403, 404, 405,
&end
#
# 16 PHE HA 35 VAL QG1 4.29 (#peak 548 #SUP 0.89 #QF 0.57;)
&rst
ixpk= 548, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 520, 521, 522,
&end
#
# 13 LYS HA 16 PHE QD 4.86 (#peak 554 #SUP 0.97 #QF 0.69;)
&rst
ixpk= 554, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 242, 250,
&end
#
# 16 PHE QE 63 ILE QG2 4.33 (#peak 557 #SUP 0.82 #QF 0.36;)
&rst
ixpk= 557, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 244, 248,
igr2= 918, 919, 920,
&end
#
# 63 ILE QG2 68 PHE QD 4.67 (#peak 557 #SUP 0.82 #QF 0.36;)
&rst
ixpk= 557, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 918, 919, 920,
igr2=1000,1008,
&end
#
# 19 PHE HB3 27 ILE QD1 5.40 (#peak 559 #SUP 1.00 #QF 0.64;)
&rst
ixpk= 559, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 403, 404, 405,
&end
#
# 27 ILE QD1 68 PHE HB2 5.24 (#peak 559 #SUP 1.00 #QF 0.64;)
&rst
ixpk= 559, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 403, 404, 405,
&end
#
# 15 ALA QB 39 LEU H 5.30 (#peak 560 #SUP 0.92 #QF 0.61;)
&rst
ixpk= 560, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 228, 229, 230,
&end
#
# 65 PHE HB2 66 PRO HD2 4.65 (#peak 565 #SUP 0.95 #QF 0.74;)
&rst
ixpk= 565, nxpk= 0, iat= 947, 964, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 65 PHE HB3 66 PRO HD2 4.38 (#peak 566 #SUP 0.95 #QF 0.74;)
&rst
ixpk= 566, nxpk= 0, iat= 948, 964, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 66 PRO HA 68 PHE H 5.11 (#peak 571 #SUP 0.99 #QF 0.76;)
&rst
ixpk= 571, nxpk= 0, iat= 973, 992, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 100 ILE QD1 105 LEU HA 4.21 (#peak 574 #SUP 0.48 #QF 0.48;)
&rst
ixpk= 574, nxpk= 0, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1524,1525,1526,
&end
#
# 90 ARG HA 93 ASP HB2 4.41 (#peak 575 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 575, nxpk= 0, iat=1358,1420, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 124 MET QE 141 PHE HZ 4.75 (#peak 578 #SUP 0.69 #QF 0.69;)
&rst
ixpk= 578, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1889,1890,1891,
&end
#
# 164 PHE HZ 168 LEU QD1 4.41 (#peak 581 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 581, nxpk= 0, iat=2487, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2569,2570,2571,
&end
#
# 108 VAL HA 108 VAL QG2 3.71 (#peak 586 #SUP 0.99 #QF 0.31;)
&rst
ixpk= 586, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1646,1647,1648,
&end
#
# 92 PHE QD 100 ILE QD1 5.20 (#peak 591 #SUP 0.99 #QF 0.86;)
&rst
ixpk= 591, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1404,1412,
igr2=1524,1525,1526,
&end
#
# 100 ILE QD1 138 TYR H 5.52 (#peak 591 #SUP 0.99 #QF 0.86;)
&rst
ixpk= 591, nxpk= 0, iat= -1,2079, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1524,1525,1526,
&end
#
# 107 HIS HD2 108 VAL QG1 5.07 (#peak 593 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 593, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1642,1643,1644,
&end
#
# 107 HIS HD2 108 VAL QG2 5.07 (#peak 594 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 594, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1646,1647,1648,
&end
#
# 113 GLY QA 114 GLU HA 5.19 (#peak 603 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 603, nxpk= 0, iat= -1,1725, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1718,1719,
&end
#
# 114 GLU HA 115 LYS HA 5.78 (#peak 603 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 603, nxpk= 0, iat=1725,1740, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 100 ILE HG13 101 SER HA 5.42 (#peak 604 #SUP 0.96 #QF 0.84;)
&rst
ixpk= 604, nxpk= 0, iat=1522,1532, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 100 ILE HG13 136 VAL QG1 5.02 (#peak 605 #SUP 0.99 #QF 0.97;)
&rst
ixpk= 605, nxpk= 0, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=2055,2056,2057,
&end
#
# 52 ILE HA 52 ILE HG13 3.99 (#peak 610 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 610, nxpk= 0, iat= 774, 783, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 49 GLN QG 52 ILE QD1 4.82 (#peak 612 #SUP 0.99 #QF 0.39;)
&rst
ixpk= 612, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 733, 734,
igr2= 785, 786, 787,
&end
#
# 29 THR HA 52 ILE QD1 4.83 (#peak 613 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 613, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 785, 786, 787,
&end
#
# 29 THR HB 52 ILE QD1 3.63 (#peak 614 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 614, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 785, 786, 787,
&end
#
# 169 LEU QB 169 LEU QQD 3.27 (#peak 616 #SUP 0.98 #QF 0.54;)
&rst
ixpk= 616, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2583,2584,
igr2=2588,2589,2590,2592,2593,2594,
&end
#
# 29 THR HA 63 ILE HG13 4.49 (#peak 618 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 618, nxpk= 0, iat= 425, 923, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 85 ILE HB 85 ILE QD1 3.41 (#peak 620 #SUP 0.99 #QF 0.60;)
&rst
ixpk= 620, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1281,1282,1283,
&end
#
# 85 ILE QG2 85 ILE HG12 3.32 (#peak 624 #SUP 1.00 #QF 0.97;)
&rst
ixpk= 624, nxpk= 0, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1=1274,1275,1276,
&end
#
# 85 ILE HG12 163 ALA QB 3.53 (#peak 625 #SUP 0.97 #QF 0.54;)
&rst
ixpk= 625, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=2469,2470,2471,
&end
#
# 85 ILE QG2 163 ALA QB 4.07 (#peak 626 #SUP 0.96 #QF 0.73;)
&rst
ixpk= 626, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1274,1275,1276,
igr2=2469,2470,2471,
&end
#
# 159 VAL QG2 160 ILE QD1 5.84 (#peak 627 #SUP 0.85 #QF 0.79;)
&rst
ixpk= 627, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1=2399,2400,2401,
igr2=2418,2419,2420,
&end
#
# 161 GLN HA 164 PHE QD 4.99 (#peak 630 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 630, nxpk= 0, iat=2426, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=2483,2491,
&end
#
# 100 ILE QG2 100 ILE HG12 3.53 (#peak 632 #SUP 0.97 #QF 0.63;)
&rst
ixpk= 632, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1517,1518,1519,
&end
#
# 52 ILE HB 52 ILE QD1 4.12 (#peak 633 #SUP 1.00 #QF 0.93;)
&rst
ixpk= 633, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 785, 786, 787,
&end
#
# 13 LYS HA 16 PHE HB3 4.08 (#peak 637 #SUP 1.00 #QF 0.95;)
&rst
ixpk= 637, nxpk= 0, iat= 189, 239, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 30 LYS QG 30 LYS QE 3.85 (#peak 642 #SUP 0.88 #QF 0.46;)
&rst
ixpk= 642, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 444, 445,
igr2= 450, 451,
&end
#
# 21 LYS HA 21 LYS QG 3.71 (#peak 644 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 644, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 323, 324,
&end
#
# 30 LYS QG 30 LYS QD 2.90 (#peak 647 #SUP 0.90 #QF 0.71;)
&rst
ixpk= 647, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 444, 445,
igr2= 447, 448,
&end
#
# 77 LYS QG 77 LYS QD 3.12 (#peak 647 #SUP 0.90 #QF 0.71;)
&rst
ixpk= 647, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1159,1160,
igr2=1162,1163,
&end
#
# 21 LYS QG 21 LYS QE 3.64 (#peak 648 #SUP 1.00 #QF 0.46;)
&rst
ixpk= 648, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 323, 324,
igr2= 329, 330,
&end
#
# 77 LYS QG 77 LYS QE 4.05 (#peak 648 #SUP 1.00 #QF 0.46;)
&rst
ixpk= 648, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1159,1160,
igr2=1165,1166,
&end
#
# 174 LYS HA 174 LYS QE 5.78 (#peak 649 #SUP 0.75 #QF 0.68;)
&rst
ixpk= 649, nxpk= 0, iat=2671, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=2682,2683,
&end
#
# 77 LYS QB 79 THR QG2 4.97 (#peak 653 #SUP 0.90 #QF 0.39;)
&rst
ixpk= 653, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=1156,1157,
igr2=1192,1193,1194,
&end
#
# 102 ALA HA 136 VAL QG2 4.00 (#peak 660 #SUP 0.93 #QF 0.29;)
&rst
ixpk= 660, nxpk= 0, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2059,2060,2061,
&end
#
# 112 LEU HA 157 ALA QB 5.01 (#peak 661 #SUP 0.62 #QF 0.62;)
&rst
ixpk= 661, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=2366,2367,2368,
&end
#
# 112 LEU HA 113 GLY QA 4.87 (#peak 662 #SUP 0.68 #QF 0.51;)
&rst
ixpk= 662, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1718,1719,
&end
#
# 112 LEU QD1 157 ALA QB 4.24 (#peak 668 #SUP 0.95 #QF 0.50;)
&rst
ixpk= 668, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1706,1707,1708,
igr2=2366,2367,2368,
&end
#
# 112 LEU QD2 157 ALA QB 4.24 (#peak 668 #SUP 0.95 #QF 0.50;)
&rst
ixpk= 668, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1710,1711,1712,
igr2=2366,2367,2368,
&end
#
# 112 LEU QD1 153 GLU HA 5.93 (#peak 669 #SUP 0.64 #QF 0.45;)
&rst
ixpk= 669, nxpk= 0, iat= -1,2307, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1=1706,1707,1708,
&end
#
# 112 LEU QD2 153 GLU HA 5.93 (#peak 669 #SUP 0.64 #QF 0.45;)
&rst
ixpk= 669, nxpk= 0, iat= -1,2307, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1=1710,1711,1712,
&end
#
# 112 LEU HA 112 LEU QD1 4.46 (#peak 671 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 671, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1706,1707,1708,
&end
#
# 116 LEU QD1 161 GLN HG3 5.73 (#peak 677 #SUP 0.80 #QF 0.48;)
&rst
ixpk= 677, nxpk= 0, iat= -1,2432, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1=1769,1770,1771,
&end
#
# 165 ARG HA 168 LEU HG 4.77 (#peak 680 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 680, nxpk= 0, iat=2497,2567, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 18 LEU H 18 LEU HB2 3.87 (#peak 684 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 684, nxpk= 0, iat= 265, 269, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 63 ILE QG2 68 PHE HB2 4.82 (#peak 693 #SUP 0.97 #QF 0.61;)
&rst
ixpk= 693, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 918, 919, 920,
&end
#
# 63 ILE QG2 63 ILE QD1 3.69 (#peak 694 #SUP 1.00 #QF 0.62;)
&rst
ixpk= 694, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 918, 919, 920,
igr2= 925, 926, 927,
&end
#
# 39 LEU QB 39 LEU QD1 3.42 (#peak 695 #SUP 0.99 #QF 0.96;)
&rst
ixpk= 695, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 586, 587,
igr2= 591, 592, 593,
&end
#
# 39 LEU QB 39 LEU QD2 3.42 (#peak 696 #SUP 0.99 #QF 0.93;)
&rst
ixpk= 696, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 586, 587,
igr2= 595, 596, 597,
&end
#
# 48 LEU HA 48 LEU HG 4.46 (#peak 700 #SUP 0.94 #QF 0.55;)
&rst
ixpk= 700, nxpk= 0, iat= 709, 714, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 173 LEU HB3 173 LEU QD1 3.86 (#peak 704 #SUP 0.98 #QF 0.82;)
&rst
ixpk= 704, nxpk= 0, iat=2655, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=2659,2660,2661,
&end
#
# 69 LEU HB2 69 LEU QD2 3.91 (#peak 711 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 711, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1025,1026,1027,
&end
#
# 69 LEU HB3 69 LEU QD2 3.90 (#peak 712 #SUP 0.95 #QF 0.77;)
&rst
ixpk= 712, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1025,1026,1027,
&end
#
# 69 LEU HB3 69 LEU QD1 4.34 (#peak 712 #SUP 0.95 #QF 0.77;)
&rst
ixpk= 712, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1021,1022,1023,
&end
#
# 69 LEU HB2 69 LEU QD1 3.82 (#peak 713 #SUP 0.92 #QF 0.58;)
&rst
ixpk= 713, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1021,1022,1023,
&end
#
# 172 SER QB 173 LEU QD2 4.50 (#peak 715 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 715, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2643,2644,
igr2=2663,2664,2665,
&end
#
# 116 LEU QD1 161 GLN HG2 5.73 (#peak 717 #SUP 0.96 #QF 0.91;)
&rst
ixpk= 717, nxpk= 0, iat= -1,2431, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1=1769,1770,1771,
&end
#
# 116 LEU QB 116 LEU QD1 4.23 (#peak 718 #SUP 0.75 #QF 0.38;)
&rst
ixpk= 718, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1764,1765,
igr2=1769,1770,1771,
&end
#
# 145 MET H 145 MET QE 4.97 (#peak 721 #SUP 0.88 #QF 0.72;)
&rst
ixpk= 721, nxpk= 0, iat=2200, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2211,2212,2213,
&end
#
# 145 MET QE 163 ALA H 5.44 (#peak 721 #SUP 0.88 #QF 0.72;)
&rst
ixpk= 721, nxpk= 0, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=2211,2212,2213,
&end
#
# 87 GLU HA 90 ARG QB 3.78 (#peak 724 #SUP 0.99 #QF 0.98;)
&rst
ixpk= 724, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1360,1361,
&end
#
# 73 ALA HA 76 MET HG2 5.58 (#peak 726 #SUP 0.93 #QF 0.69;)
&rst
ixpk= 726, nxpk= 0, iat=1081,1142, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 73 ALA HA 76 MET HG3 5.58 (#peak 726 #SUP 0.93 #QF 0.69;)
&rst
ixpk= 726, nxpk= 0, iat=1081,1143, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 157 ALA QB 158 MET HG2 5.39 (#peak 727 #SUP 1.00;)
&rst
ixpk= 727, nxpk= 0, iat= -1,2379, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2366,2367,2368,
&end
#
# 99 TYR HB2 135 GLN QB 4.98 (#peak 732 #SUP 0.43 #QF 0.22;)
&rst
ixpk= 732, nxpk= 0, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=2036,2037,
&end
#
# 72 MET QE 76 MET QE 3.78 (#peak 733 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 733, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1073,1074,1075,
igr2=1146,1147,1148,
&end
#
# 106 ARG QB 125 ILE QD1 3.78 (#peak 738 #SUP 0.70 #QF 0.70;)
&rst
ixpk= 738, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1599,1600,
igr2=1908,1909,1910,
&end
#
# 125 ILE HA 128 ALA H 5.26 (#peak 739 #SUP 0.86 #QF 0.83;)
&rst
ixpk= 739, nxpk= 0, iat=1897,1953, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 124 MET HA 126 ARG H 5.05 (#peak 741 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 741, nxpk= 0, iat=1880,1914, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 88 ALA QB 157 ALA H 6.16 (#peak 743 #SUP 0.97 #QF 0.77;)
&rst
ixpk= 743, nxpk= 0, iat= -1,2362, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1=1330,1331,1332,
&end
#
# 139 GLU HA 142 VAL HB 5.53 (#peak 744 #SUP 0.97 #QF 0.94;)
&rst
ixpk= 744, nxpk= 0, iat=2102,2154, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 140 GLU HA 142 VAL HB 6.34 (#peak 744 #SUP 0.97 #QF 0.94;)
&rst
ixpk= 744, nxpk= 0, iat=2117,2154, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, &end
#
# 172 SER QB 173 LEU HB2 5.13 (#peak 749 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 749, nxpk= 0, iat= -1,2654, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=2643,2644,
&end
#
# 84 GLU HA 86 ARG H 4.60 (#peak 751 #SUP 0.67 #QF 0.67;)
&rst
ixpk= 751, nxpk= 0, iat=1255,1287, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 28 THR H 28 THR HB 3.83 (#peak 752 #SUP 0.99 #QF 0.82;)
&rst
ixpk= 752, nxpk= 0, iat= 409, 413, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 29 THR HA 63 ILE QD1 3.76 (#peak 753 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 753, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 925, 926, 927,
&end
#
# 35 VAL QG1 36 MET HA 5.23 (#peak 754 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 754, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 520, 521, 522,
&end
#
# 44 THR QG2 45 GLU QB 5.05 (#peak 755 #SUP 0.82 #QF 0.62;)
&rst
ixpk= 755, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 659, 660, 661,
igr2= 671, 672,
&end
#
# 45 GLU QB 46 ALA QB 5.49 (#peak 755 #SUP 0.82 #QF 0.62;)
&rst
ixpk= 755, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 671, 672,
igr2= 686, 687, 688,
&end
#
# 76 MET HA 76 MET HG2 4.19 (#peak 756 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 756, nxpk= 0, iat=1137,1142, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 108 VAL QG2 157 ALA HA 5.40 (#peak 757 #SUP 0.98 #QF 0.56;)
&rst
ixpk= 757, nxpk= 0, iat= -1,2364, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1646,1647,1648,
&end
#
# 108 VAL QG2 109 MET QE 3.56 (#peak 758 #SUP 0.93 #QF 0.51;)
&rst
ixpk= 758, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1646,1647,1648,
igr2=1663,1664,1665,
&end
#
# 106 ARG HA 125 ILE QD1 4.98 (#peak 759 #SUP 0.95 #QF 0.41;)
&rst
ixpk= 759, nxpk= 0, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1908,1909,1910,
&end
#
# 85 ILE QD1 142 VAL HA 6.01 (#peak 762 #SUP 0.96 #QF 0.37;)
&rst
ixpk= 762, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1=1281,1282,1283,
&end
#
# 85 ILE QD1 160 ILE HA 6.46 (#peak 762 #SUP 0.96 #QF 0.37;)
&rst
ixpk= 762, nxpk= 0, iat= -1,2407, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1=1281,1282,1283,
&end
#
# 85 ILE QG2 160 ILE HA 4.15 (#peak 763 #SUP 0.99 #QF 0.68;)
&rst
ixpk= 763, nxpk= 0, iat= -1,2407, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1274,1275,1276,
&end
#
# 91 VAL HB 92 PHE HA 5.17 (#peak 771 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 771, nxpk= 0, iat=1384,1398, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 167 HIS HA 169 LEU QB 5.59 (#peak 771 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 771, nxpk= 0, iat=2545, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=2583,2584,
&end
#
# 135 GLN QB 137 ASN HA 5.84 (#peak 772 #SUP 0.97 #QF 0.35;)
&rst
ixpk= 772, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=2036,2037,
&end
#
# 137 ASN HA 138 TYR QB 6.48 (#peak 772 #SUP 0.97 #QF 0.35;)
&rst
ixpk= 772, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=2083,2084,
&end
#
# 93 ASP HB2 138 TYR QE 4.89 (#peak 773 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 773, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2089,2094,
&end
#
# 4 LEU HA 4 LEU QD2 4.66 (#peak 778 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 778, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 56, 57, 58,
&end
#
# 100 ILE HB 100 ILE QD1 3.66 (#peak 780 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 780, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1524,1525,1526,
&end
#
# 13 LYS H 13 LYS HG3 5.15 (#peak 783 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 783, nxpk= 0, iat= 187, 195, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 32 LEU HB3 32 LEU QD1 4.07 (#peak 786 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 786, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 483, 484, 485,
&end
#
# 71 MET HA 71 MET HG2 4.29 (#peak 787 #SUP 0.97 #QF 0.62;)
&rst
ixpk= 787, nxpk= 0, iat=1047,1052, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 87 GLU HA 87 GLU QG 4.14 (#peak 787 #SUP 0.97 #QF 0.62;)
&rst
ixpk= 787, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1318,1319,
&end
#
# 83 GLU QG 84 GLU H 5.30 (#peak 792 #SUP 0.98 #QF 0.45;)
&rst
ixpk= 792, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1245,1246,
&end
#
# 3 GLN HA 3 GLN QG 3.98 (#peak 810 #SUP 1.00;)
&rst
ixpk= 810, nxpk= 0, iat= 28, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 33, 34,
&end
#
# 6 GLU HG2 9 ILE QD1 5.05 (#peak 814 #SUP 0.74 #QF 0.74;)
&rst
ixpk= 814, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 136, 137, 138,
&end
#
# 4 LEU HG 73 ALA H 5.79 (#peak 817 #SUP 0.92 #QF 0.84;)
&rst
ixpk= 817, nxpk= 0, iat= 50,1079, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 4 LEU HA 4 LEU QD1 4.66 (#peak 821 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 821, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 52, 53, 54,
&end
#
# 4 LEU QD1 73 ALA QB 4.22 (#peak 829 #SUP 0.90 #QF 0.61;)
&rst
ixpk= 829, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 52, 53, 54,
igr2=1083,1084,1085,
&end
#
# 4 LEU HB2 5 THR H 4.64 (#peak 834 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 834, nxpk= 0, iat= 47, 62, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 5 THR H 8 GLN HB3 4.30 (#peak 837 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 837, nxpk= 0, iat= 62, 111, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 5 THR HA 5 THR QG2 3.32 (#peak 838 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 838, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 68, 69, 70,
&end
#
# 8 GLN H 8 GLN HB3 4.32 (#peak 853 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 853, nxpk= 0, iat= 106, 111, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 8 GLN H 8 GLN HG2 4.47 (#peak 854 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 854, nxpk= 0, iat= 106, 113, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 8 GLN HA 8 GLN HG2 4.06 (#peak 856 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 856, nxpk= 0, iat= 108, 113, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 9 ILE H 10 ALA QB 5.00 (#peak 866 #SUP 0.59 #QF 0.59;)
&rst
ixpk= 866, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 146, 147, 148,
&end
#
# 9 ILE HA 9 ILE QG2 3.48 (#peak 868 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 868, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 129, 130, 131,
&end
#
# 6 GLU HA 9 ILE HB 3.75 (#peak 869 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 869, nxpk= 0, iat= 78, 127, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 9 ILE HA 9 ILE QG1 4.00 (#peak 874 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 874, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 133, 134,
&end
#
# 6 GLU HA 9 ILE QG2 4.54 (#peak 875 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 875, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 129, 130, 131,
&end
#
# 9 ILE QG2 9 ILE QD1 3.19 (#peak 878 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 878, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 129, 130, 131,
igr2= 136, 137, 138,
&end
#
# 9 ILE QG2 9 ILE QG1 4.22 (#peak 879 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 879, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 129, 130, 131,
igr2= 133, 134,
&end
#
# 9 ILE QG2 10 ALA HA 4.26 (#peak 886 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 886, nxpk= 0, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 129, 130, 131,
&end
#
# 7 GLU HA 10 ALA QB 3.57 (#peak 888 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 888, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 146, 147, 148,
&end
#
# 11 GLU H 11 GLU HG2 4.46 (#peak 894 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 894, nxpk= 0, iat= 152, 159, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 11 GLU HA 11 GLU HG3 3.92 (#peak 896 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 896, nxpk= 0, iat= 154, 160, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 8 GLN HA 11 GLU QB 4.17 (#peak 899 #SUP 0.72 #QF 0.72;)
&rst
ixpk= 899, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 156, 157,
&end
#
# 12 PHE HA 39 LEU QD1 4.37 (#peak 907 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 907, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 591, 592, 593,
&end
#
# 12 PHE HA 39 LEU QD2 4.37 (#peak 908 #SUP 1.00;)
&rst
ixpk= 908, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 595, 596, 597,
&end
#
# 12 PHE HB3 69 LEU QD2 4.21 (#peak 911 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 911, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1025,1026,1027,
&end
#
# 9 ILE HA 12 PHE HB2 4.55 (#peak 912 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 912, nxpk= 0, iat= 125, 171, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 12 PHE HB2 69 LEU QD2 4.24 (#peak 914 #SUP 0.68 #QF 0.68;)
&rst
ixpk= 914, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1025,1026,1027,
&end
#
# 12 PHE QD 39 LEU QD2 3.76 (#peak 917 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 917, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 175, 183,
igr2= 595, 596, 597,
&end
#
# 10 ALA HA 13 LYS HB2 4.24 (#peak 930 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 930, nxpk= 0, iat= 144, 191, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 10 ALA HA 13 LYS HB3 3.99 (#peak 932 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 932, nxpk= 0, iat= 144, 192, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 13 LYS HA 13 LYS HG3 4.22 (#peak 934 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 934, nxpk= 0, iat= 189, 195, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 13 LYS HG3 13 LYS QE 3.81 (#peak 935 #SUP 1.00;)
&rst
ixpk= 935, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 200, 201,
&end
#
# 13 LYS HA 13 LYS HG2 4.22 (#peak 936 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 936, nxpk= 0, iat= 189, 194, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 13 LYS HG2 13 LYS QE 3.81 (#peak 937 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 937, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 200, 201,
&end
#
# 9 ILE QG2 13 LYS QE 4.82 (#peak 940 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 940, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 129, 130, 131,
igr2= 200, 201,
&end
#
# 14 GLU H 15 ALA QB 4.97 (#peak 946 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 946, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 228, 229, 230,
&end
#
# 15 ALA HA 18 LEU QD2 3.66 (#peak 955 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 955, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 278, 279, 280,
&end
#
# 15 ALA HA 18 LEU HG 4.59 (#peak 956 #SUP 0.99 #QF 0.93;)
&rst
ixpk= 956, nxpk= 0, iat= 226, 272, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 12 PHE HA 15 ALA QB 3.99 (#peak 957 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 957, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 228, 229, 230,
&end
#
# 15 ALA QB 35 VAL QG2 4.66 (#peak 961 #SUP 1.00;)
&rst
ixpk= 961, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 228, 229, 230,
igr2= 524, 525, 526,
&end
#
# 15 ALA QB 39 LEU QD1 4.15 (#peak 962 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 962, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 228, 229, 230,
igr2= 591, 592, 593,
&end
#
# 15 ALA QB 39 LEU QD2 4.15 (#peak 963 #SUP 1.00;)
&rst
ixpk= 963, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 228, 229, 230,
igr2= 595, 596, 597,
&end
#
# 13 LYS HA 16 PHE H 4.71 (#peak 964 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 964, nxpk= 0, iat= 189, 234, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 15 ALA QB 16 PHE HA 4.76 (#peak 970 #SUP 1.00;)
&rst
ixpk= 970, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 228, 229, 230,
&end
#
# 16 PHE HA 27 ILE QG2 4.64 (#peak 971 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 971, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 396, 397, 398,
&end
#
# 16 PHE HA 35 VAL QG2 4.29 (#peak 972 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 972, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 524, 525, 526,
&end
#
# 13 LYS HA 16 PHE HB2 4.32 (#peak 976 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 976, nxpk= 0, iat= 189, 238, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 18 LEU H 18 LEU QD1 4.45 (#peak 999 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 999, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 274, 275, 276,
&end
#
# 18 LEU HG 19 PHE H 3.91 (#peak 1001 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 1001, nxpk= 0, iat= 272, 284, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 15 ALA QB 18 LEU QD2 3.18 (#peak 1012 #SUP 0.73 #QF 0.73;)
&rst
ixpk= 1012, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 228, 229, 230,
igr2= 278, 279, 280,
&end
#
# 18 LEU HA 18 LEU QD1 3.81 (#peak 1015 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1015, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 274, 275, 276,
&end
#
# 19 PHE HB2 27 ILE QD1 5.40 (#peak 1024 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1024, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 403, 404, 405,
&end
#
# 19 PHE HB2 27 ILE QG2 4.11 (#peak 1025 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 1025, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 396, 397, 398,
&end
#
# 19 PHE HB3 27 ILE QG2 4.11 (#peak 1029 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1029, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 396, 397, 398,
&end
#
# 19 PHE QD 35 VAL QG1 3.79 (#peak 1036 #SUP 1.00;)
&rst
ixpk= 1036, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 292, 300,
igr2= 520, 521, 522,
&end
#
# 20 ASP HA 21 LYS QB 4.88 (#peak 1041 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1041, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 320, 321,
&end
#
# 17 SER HA 20 ASP HB2 4.08 (#peak 1043 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 1043, nxpk= 0, iat= 256, 308, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 17 SER HA 20 ASP HB3 3.84 (#peak 1045 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 1045, nxpk= 0, iat= 256, 309, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 17 SER QB 20 ASP HB3 5.04 (#peak 1046 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1046, nxpk= 0, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 258, 259,
&end
#
# 20 ASP HB3 27 ILE QG2 4.81 (#peak 1049 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1049, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 396, 397, 398,
&end
#
# 21 LYS HA 21 LYS QB 3.16 (#peak 1057 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1057, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 320, 321,
&end
#
# 21 LYS QB 21 LYS QE 4.98 (#peak 1058 #SUP 0.56 #QF 0.56;)
&rst
ixpk= 1058, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 320, 321,
igr2= 329, 330,
&end
#
# 26 THR H 26 THR QG2 3.66 (#peak 1083 #SUP 0.92 #QF 0.88;)
&rst
ixpk= 1083, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 382, 383, 384,
&end
#
# 27 ILE HA 27 ILE QD1 4.61 (#peak 1095 #SUP 1.00;)
&rst
ixpk= 1095, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 403, 404, 405,
&end
#
# 27 ILE HA 27 ILE QG2 3.64 (#peak 1096 #SUP 1.00;)
&rst
ixpk= 1096, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 396, 397, 398,
&end
#
# 27 ILE HA 62 THR QG2 4.51 (#peak 1097 #SUP 0.68 #QF 0.68;)
&rst
ixpk= 1097, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 904, 905, 906,
&end
#
# 18 LEU HG 19 PHE HA 4.90 (#peak 1098 #SUP 0.53 #QF 0.53;)
&rst
ixpk= 1098, nxpk= 0, iat= 272, 286, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 27 ILE HB 27 ILE QD1 3.76 (#peak 1099 #SUP 1.00;)
&rst
ixpk= 1099, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 403, 404, 405,
&end
#
# 27 ILE QG2 27 ILE HG13 4.11 (#peak 1104 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1104, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 396, 397, 398,
&end
#
# 27 ILE QG2 27 ILE HG12 3.99 (#peak 1105 #SUP 1.00;)
&rst
ixpk= 1105, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 396, 397, 398,
&end
#
# 27 ILE QD1 63 ILE HB 4.74 (#peak 1110 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1110, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 403, 404, 405,
&end
#
# 27 ILE QD1 63 ILE QD1 4.32 (#peak 1111 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 1111, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 403, 404, 405,
igr2= 925, 926, 927,
&end
#
# 27 ILE QD1 63 ILE QG2 4.65 (#peak 1112 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1112, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 403, 404, 405,
igr2= 918, 919, 920,
&end
#
# 20 ASP HA 27 ILE QG2 4.02 (#peak 1116 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1116, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 396, 397, 398,
&end
#
# 20 ASP HB2 27 ILE QG2 4.50 (#peak 1117 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1117, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 396, 397, 398,
&end
#
# 27 ILE QG2 27 ILE QD1 3.37 (#peak 1121 #SUP 1.00;)
&rst
ixpk= 1121, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 396, 397, 398,
igr2= 403, 404, 405,
&end
#
# 27 ILE QD1 28 THR H 4.29 (#peak 1126 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 1126, nxpk= 0, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 403, 404, 405,
&end
#
# 28 THR HA 28 THR QG2 3.55 (#peak 1130 #SUP 1.00;)
&rst
ixpk= 1130, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 415, 416, 417,
&end
#
# 28 THR HA 29 THR QG2 4.73 (#peak 1131 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1131, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 429, 430, 431,
&end
#
# 28 THR QG2 62 THR HA 4.87 (#peak 1138 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1138, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 415, 416, 417,
&end
#
# 26 THR QG2 27 ILE H 4.65 (#peak 1142 #SUP 0.98 #QF 0.85;)
&rst
ixpk= 1142, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 382, 383, 384,
&end
#
# 29 THR H 63 ILE QD1 5.33 (#peak 1143 #SUP 1.00;)
&rst
ixpk= 1143, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 925, 926, 927,
&end
#
# 29 THR HA 29 THR QG2 3.50 (#peak 1145 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1145, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 429, 430, 431,
&end
#
# 29 THR HB 52 ILE QG2 4.14 (#peak 1151 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1151, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 778, 779, 780,
&end
#
# 29 THR QG2 61 GLY HA3 4.71 (#peak 1158 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1158, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 429, 430, 431,
&end
#
# 29 THR QG2 30 LYS H 4.62 (#peak 1163 #SUP 0.73 #QF 0.73;)
&rst
ixpk= 1163, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 429, 430, 431,
&end
#
# 30 LYS H 30 LYS QD 4.67 (#peak 1166 #SUP 0.57 #QF 0.57;)
&rst
ixpk= 1166, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 447, 448,
&end
#
# 30 LYS HA 30 LYS QG 3.70 (#peak 1171 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1171, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 444, 445,
&end
#
# 31 GLU HA 34 THR HB 4.67 (#peak 1178 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1178, nxpk= 0, iat= 461, 504, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 31 GLU HA 31 GLU QG 3.51 (#peak 1180 #SUP 0.57 #QF 0.57;)
&rst
ixpk= 1180, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 466, 467,
&end
#
# 29 THR HA 32 LEU H 4.60 (#peak 1181 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1181, nxpk= 0, iat= 425, 474, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 32 LEU HA 63 ILE QG2 5.68 (#peak 1188 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1188, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr2= 918, 919, 920,
&end
#
# 29 THR HA 32 LEU HB2 4.42 (#peak 1189 #SUP 0.71 #QF 0.71;)
&rst
ixpk= 1189, nxpk= 0, iat= 425, 478, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 32 LEU HB3 32 LEU QD2 4.07 (#peak 1192 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1192, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 487, 488, 489,
&end
#
# 34 THR HA 34 THR QG2 3.33 (#peak 1213 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1213, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 506, 507, 508,
&end
#
# 34 THR QG2 35 VAL H 4.40 (#peak 1222 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1222, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 506, 507, 508,
&end
#
# 34 THR QG2 35 VAL HA 4.88 (#peak 1227 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1227, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 506, 507, 508,
&end
#
# 35 VAL HA 35 VAL QG1 3.70 (#peak 1229 #SUP 1.00;)
&rst
ixpk= 1229, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 520, 521, 522,
&end
#
# 35 VAL HA 35 VAL QG2 3.70 (#peak 1230 #SUP 1.00;)
&rst
ixpk= 1230, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 524, 525, 526,
&end
#
# 35 VAL HA 38 SER HB3 5.09 (#peak 1232 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1232, nxpk= 0, iat= 516, 576, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 35 VAL HB 36 MET H 4.38 (#peak 1253 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1253, nxpk= 0, iat= 518, 530, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 35 VAL QG2 36 MET H 4.20 (#peak 1255 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 1255, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 524, 525, 526,
&end
#
# 36 MET H 36 MET QE 5.08 (#peak 1256 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 1256, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 541, 542, 543,
&end
#
# 35 VAL QG2 36 MET HA 5.23 (#peak 1259 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1259, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 524, 525, 526,
&end
#
# 36 MET HA 36 MET QE 3.70 (#peak 1260 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 1260, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 541, 542, 543,
&end
#
# 36 MET HA 39 LEU QB 4.71 (#peak 1262 #SUP 0.71 #QF 0.71;)
&rst
ixpk= 1262, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 586, 587,
&end
#
# 36 MET HG2 36 MET QE 4.02 (#peak 1269 #SUP 1.00;)
&rst
ixpk= 1269, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 541, 542, 543,
&end
#
# 36 MET HG3 36 MET QE 4.02 (#peak 1274 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 1274, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 541, 542, 543,
&end
#
# 34 THR HA 37 ARG H 4.45 (#peak 1277 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1277, nxpk= 0, iat= 502, 547, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 37 ARG QB 38 SER HA 4.64 (#peak 1285 #SUP 0.58 #QF 0.58;)
&rst
ixpk= 1285, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 551, 552,
&end
#
# 35 VAL HA 38 SER HB2 5.09 (#peak 1293 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1293, nxpk= 0, iat= 516, 575, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 38 SER HB2 39 LEU H 4.65 (#peak 1295 #SUP 0.96 #QF 0.22;)
&rst
ixpk= 1295, nxpk= 0, iat= 575, 582, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 39 LEU HA 39 LEU QD1 4.59 (#peak 1301 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1301, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 591, 592, 593,
&end
#
# 39 LEU HA 39 LEU QD2 4.59 (#peak 1302 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1302, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 595, 596, 597,
&end
#
# 39 LEU QB 72 MET QE 4.07 (#peak 1306 #SUP 0.67 #QF 0.67;)
&rst
ixpk= 1306, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 586, 587,
igr2=1073,1074,1075,
&end
#
# 41 GLN H 41 GLN HG2 4.33 (#peak 1324 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 1324, nxpk= 0, iat= 608, 615, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 41 GLN HA 41 GLN HG2 4.43 (#peak 1327 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 1327, nxpk= 0, iat= 610, 615, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 41 GLN HA 41 GLN HG3 4.43 (#peak 1328 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1328, nxpk= 0, iat= 610, 616, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 42 ASN HA 43 PRO HD2 3.94 (#peak 1349 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1349, nxpk= 0, iat= 627, 640, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 42 ASN HA 43 PRO HD3 3.94 (#peak 1350 #SUP 1.00;)
&rst
ixpk= 1350, nxpk= 0, iat= 627, 641, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 43 PRO HA 44 THR H 3.32 (#peak 1370 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 1370, nxpk= 0, iat= 649, 653, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 44 THR HB 46 ALA QB 4.47 (#peak 1374 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 1374, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 686, 687, 688,
&end
#
# 44 THR HA 44 THR QG2 3.19 (#peak 1375 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 1375, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 659, 660, 661,
&end
#
# 45 GLU H 46 ALA QB 5.12 (#peak 1380 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1380, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 686, 687, 688,
&end
#
# 45 GLU HA 45 GLU QB 2.98 (#peak 1381 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 1381, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 671, 672,
&end
#
# 44 THR HA 46 ALA H 4.71 (#peak 1382 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1382, nxpk= 0, iat= 655, 682, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 46 ALA QB 49 GLN QB 4.84 (#peak 1384 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 1384, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 686, 687, 688,
igr2= 730, 731,
&end
#
# 47 GLU H 51 MET QE 5.76 (#peak 1387 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 1387, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2= 766, 767, 768,
&end
#
# 47 GLU HA 50 ASP HB2 4.18 (#peak 1389 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1389, nxpk= 0, iat= 694, 747, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 47 GLU HB2 48 LEU H 4.16 (#peak 1392 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1392, nxpk= 0, iat= 696, 707, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 48 LEU HA 51 MET QE 3.36 (#peak 1401 #SUP 0.70 #QF 0.70;)
&rst
ixpk= 1401, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 766, 767, 768,
&end
#
# 43 PRO QG 48 LEU HG 5.05 (#peak 1402 #SUP 0.68 #QF 0.68;)
&rst
ixpk= 1402, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 643, 644,
&end
#
# 33 GLY HA2 48 LEU QD1 4.54 (#peak 1404 #SUP 0.85 #QF 0.74;)
&rst
ixpk= 1404, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 716, 717, 718,
&end
#
# 33 GLY HA2 48 LEU QD2 4.54 (#peak 1404 #SUP 0.85 #QF 0.74;)
&rst
ixpk= 1404, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 720, 721, 722,
&end
#
# 33 GLY HA3 48 LEU QD1 4.54 (#peak 1405 #SUP 0.80 #QF 0.65;)
&rst
ixpk= 1405, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 716, 717, 718,
&end
#
# 33 GLY HA3 48 LEU QD2 4.54 (#peak 1405 #SUP 0.80 #QF 0.65;)
&rst
ixpk= 1405, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 720, 721, 722,
&end
#
# 43 PRO HD2 48 LEU QD1 6.38 (#peak 1407 #SUP 0.99 #QF 0.85;)
&rst
ixpk= 1407, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr2= 716, 717, 718,
&end
#
# 43 PRO HD2 48 LEU QD2 6.38 (#peak 1407 #SUP 0.99 #QF 0.85;)
&rst
ixpk= 1407, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr2= 720, 721, 722,
&end
#
# 43 PRO HD3 48 LEU QD1 6.38 (#peak 1408 #SUP 0.99 #QF 0.86;)
&rst
ixpk= 1408, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr2= 716, 717, 718,
&end
#
# 43 PRO HD3 48 LEU QD2 6.38 (#peak 1408 #SUP 0.99 #QF 0.86;)
&rst
ixpk= 1408, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr2= 720, 721, 722,
&end
#
# 43 PRO QG 48 LEU QD2 4.17 (#peak 1409 #SUP 0.94 #QF 0.79;)
&rst
ixpk= 1409, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 643, 644,
igr2= 720, 721, 722,
&end
#
# 46 ALA HA 49 GLN H 4.35 (#peak 1413 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1413, nxpk= 0, iat= 684, 726, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 49 GLN HA 52 ILE QG2 4.51 (#peak 1418 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1418, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 778, 779, 780,
&end
#
# 46 ALA HA 49 GLN QB 3.61 (#peak 1419 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 1419, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 730, 731,
&end
#
# 49 GLN QG 50 ASP HA 5.05 (#peak 1425 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1425, nxpk= 0, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 733, 734,
&end
#
# 47 GLU HA 50 ASP HB3 4.18 (#peak 1429 #SUP 0.35 #QF 0.35;)
&rst
ixpk= 1429, nxpk= 0, iat= 694, 748, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 50 ASP HB2 51 MET H 4.13 (#peak 1432 #SUP 0.68 #QF 0.68;)
&rst
ixpk= 1432, nxpk= 0, iat= 747, 755, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 51 MET H 51 MET HB3 4.05 (#peak 1433 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1433, nxpk= 0, iat= 755, 760, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 51 MET HG2 51 MET QE 4.23 (#peak 1447 #SUP 1.00;)
&rst
ixpk= 1447, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 766, 767, 768,
&end
#
# 51 MET HG3 51 MET QE 4.23 (#peak 1451 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1451, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 766, 767, 768,
&end
#
# 52 ILE H 52 ILE QG2 3.99 (#peak 1461 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 1461, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 778, 779, 780,
&end
#
# 52 ILE HA 52 ILE QD1 4.27 (#peak 1462 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 1462, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 785, 786, 787,
&end
#
# 52 ILE HA 55 VAL QG1 4.62 (#peak 1465 #SUP 0.62 #QF 0.62;)
&rst
ixpk= 1465, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 826, 827, 828,
&end
#
# 52 ILE HA 55 VAL QG2 4.62 (#peak 1466 #SUP 0.66 #QF 0.66;)
&rst
ixpk= 1466, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 830, 831, 832,
&end
#
# 49 GLN HA 52 ILE HB 3.80 (#peak 1467 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 1467, nxpk= 0, iat= 728, 776, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 52 ILE HA 52 ILE HG12 3.99 (#peak 1469 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1469, nxpk= 0, iat= 774, 782, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 52 ILE HA 52 ILE QG2 3.41 (#peak 1472 #SUP 0.60 #QF 0.60;)
&rst
ixpk= 1472, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 778, 779, 780,
&end
#
# 52 ILE QG2 53 ASN HA 4.23 (#peak 1474 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 1474, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 778, 779, 780,
&end
#
# 52 ILE QG2 56 ASP HB2 4.20 (#peak 1475 #SUP 0.45 #QF 0.45;)
&rst
ixpk= 1475, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 778, 779, 780,
&end
#
# 51 MET HA 54 GLU H 4.02 (#peak 1493 #SUP 0.72 #QF 0.72;)
&rst
ixpk= 1493, nxpk= 0, iat= 757, 805, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 54 GLU HA 54 GLU QB 3.11 (#peak 1499 #SUP 0.58 #QF 0.58;)
&rst
ixpk= 1499, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 809, 810,
&end
#
# 30 LYS H 52 ILE QG2 5.93 (#peak 1500 #SUP 0.93 #QF 0.40;)
&rst
ixpk= 1500, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2= 778, 779, 780,
&end
#
# 52 ILE QG2 54 GLU H 6.77 (#peak 1500 #SUP 0.93 #QF 0.40;)
&rst
ixpk= 1500, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
igr1= 778, 779, 780,
&end
#
# 52 ILE QG2 55 VAL H 6.57 (#peak 1500 #SUP 0.93 #QF 0.40;)
&rst
ixpk= 1500, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 778, 779, 780,
&end
#
# 55 VAL H 55 VAL HB 3.96 (#peak 1502 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1502, nxpk= 0, iat= 820, 824, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 55 VAL H 55 VAL QG2 3.48 (#peak 1504 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 1504, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 830, 831, 832,
&end
#
# 55 VAL H 56 ASP HA 5.33 (#peak 1505 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 1505, nxpk= 0, iat= 820, 838, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 55 VAL HA 55 VAL QG1 3.66 (#peak 1507 #SUP 1.00;)
&rst
ixpk= 1507, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 826, 827, 828,
&end
#
# 55 VAL HA 55 VAL QG2 3.66 (#peak 1508 #SUP 1.00;)
&rst
ixpk= 1508, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 830, 831, 832,
&end
#
# 55 VAL HA 57 ALA QB 4.78 (#peak 1509 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 1509, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 852, 853, 854,
&end
#
# 154 GLU QB 155 VAL QG1 3.76 (#peak 1515 #SUP 0.34 #QF 0.34;)
&rst
ixpk= 1515, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=2324,2325,
igr2=2341,2342,2343,
&end
#
# 55 VAL QG2 56 ASP H 4.18 (#peak 1519 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 1519, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 830, 831, 832,
&end
#
# 56 ASP HA 57 ALA QB 4.94 (#peak 1524 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1524, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 852, 853, 854,
&end
#
# 29 THR QG2 56 ASP HB2 4.34 (#peak 1525 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 1525, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 429, 430, 431,
&end
#
# 29 THR QG2 56 ASP HB3 4.34 (#peak 1528 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 1528, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 429, 430, 431,
&end
#
# 52 ILE QG2 56 ASP HB3 4.20 (#peak 1529 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1529, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 778, 779, 780,
&end
#
# 29 THR QG2 61 GLY HA2 4.71 (#peak 1551 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 1551, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 429, 430, 431,
&end
#
# 29 THR QG2 62 THR HA 4.65 (#peak 1558 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1558, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 429, 430, 431,
&end
#
# 28 THR HA 62 THR HB 4.92 (#peak 1561 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 1561, nxpk= 0, iat= 411, 902, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 60 ASN QB 62 THR QG2 5.04 (#peak 1565 #SUP 0.56 #QF 0.56;)
&rst
ixpk= 1565, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 881, 882,
igr2= 904, 905, 906,
&end
#
# 63 ILE H 63 ILE QG2 4.38 (#peak 1575 #SUP 1.00;)
&rst
ixpk= 1575, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 918, 919, 920,
&end
#
# 63 ILE HA 63 ILE QD1 4.43 (#peak 1576 #SUP 1.00;)
&rst
ixpk= 1576, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 925, 926, 927,
&end
#
# 63 ILE HA 63 ILE QG2 3.68 (#peak 1578 #SUP 1.00;)
&rst
ixpk= 1578, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 918, 919, 920,
&end
#
# 29 THR QG2 63 ILE QD1 3.54 (#peak 1579 #SUP 0.64 #QF 0.64;)
&rst
ixpk= 1579, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 429, 430, 431,
igr2= 925, 926, 927,
&end
#
# 32 LEU HB3 63 ILE QD1 4.20 (#peak 1580 #SUP 0.62 #QF 0.62;)
&rst
ixpk= 1580, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 925, 926, 927,
&end
#
# 63 ILE HA 63 ILE HG12 4.17 (#peak 1584 #SUP 0.99 #QF 0.95;)
&rst
ixpk= 1584, nxpk= 0, iat= 914, 922, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 64 ASP H 67 GLU HB2 4.04 (#peak 1593 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 1593, nxpk= 0, iat= 931, 981, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 26 THR QG2 64 ASP HB2 4.14 (#peak 1598 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1598, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 382, 383, 384,
&end
#
# 26 THR QG2 64 ASP HB3 4.14 (#peak 1602 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1602, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 382, 383, 384,
&end
#
# 65 PHE HA 68 PHE HB3 4.59 (#peak 1613 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 1613, nxpk= 0, iat= 945, 997, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 65 PHE HA 68 PHE HB2 5.09 (#peak 1614 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1614, nxpk= 0, iat= 945, 996, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 65 PHE HB2 66 PRO HD3 4.49 (#peak 1616 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1616, nxpk= 0, iat= 947, 965, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 65 PHE HB3 66 PRO HD3 4.12 (#peak 1618 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1618, nxpk= 0, iat= 948, 965, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 65 PHE HZ 69 LEU QD2 4.13 (#peak 1621 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1621, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1025,1026,1027,
&end
#
# 65 PHE QD 66 PRO HD2 4.98 (#peak 1626 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1626, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 951, 959,
&end
#
# 66 PRO HA 69 LEU HB3 4.79 (#peak 1634 #SUP 1.00;)
&rst
ixpk= 1634, nxpk= 0, iat= 973,1017, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 64 ASP HB2 66 PRO HD2 4.59 (#peak 1638 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 1638, nxpk= 0, iat= 935, 964, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 64 ASP HB3 66 PRO HD2 4.59 (#peak 1640 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 1640, nxpk= 0, iat= 936, 964, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 66 PRO HD3 67 GLU H 4.83 (#peak 1651 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 1651, nxpk= 0, iat= 965, 977, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 67 GLU H 67 GLU HG2 4.69 (#peak 1655 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1655, nxpk= 0, iat= 977, 984, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 67 GLU HA 70 THR HB 4.13 (#peak 1659 #SUP 0.27 #QF 0.27;)
&rst
ixpk= 1659, nxpk= 0, iat= 979,1035, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 63 ILE QG2 67 GLU HB3 4.13 (#peak 1664 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 1664, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 918, 919, 920,
&end
#
# 63 ILE QD1 68 PHE HA 4.35 (#peak 1672 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1672, nxpk= 0, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 925, 926, 927,
&end
#
# 63 ILE QG2 68 PHE HA 4.06 (#peak 1673 #SUP 0.99 #QF 0.25;)
&rst
ixpk= 1673, nxpk= 0, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 918, 919, 920,
&end
#
# 68 PHE HA 71 MET QE 4.05 (#peak 1676 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 1676, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1056,1057,1058,
&end
#
# 63 ILE QG2 68 PHE HB3 4.22 (#peak 1678 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1678, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 918, 919, 920,
&end
#
# 39 LEU QD1 68 PHE HZ 4.25 (#peak 1682 #SUP 0.67 #QF 0.67;)
&rst
ixpk= 1682, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 591, 592, 593,
&end
#
# 63 ILE QD1 68 PHE QD 4.36 (#peak 1684 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1684, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 925, 926, 927,
igr2=1000,1008,
&end
#
# 68 PHE QE 71 MET QE 5.60 (#peak 1693 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1693, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1002,1006,
igr2=1056,1057,1058,
&end
#
# 68 PHE QE 72 MET QE 4.33 (#peak 1694 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 1694, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1002,1006,
igr2=1073,1074,1075,
&end
#
# 69 LEU H 69 LEU QD2 4.37 (#peak 1697 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1697, nxpk= 0, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1025,1026,1027,
&end
#
# 69 LEU H 69 LEU QD1 4.54 (#peak 1698 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1698, nxpk= 0, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1021,1022,1023,
&end
#
# 69 LEU HA 69 LEU QD2 3.51 (#peak 1702 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1702, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1025,1026,1027,
&end
#
# 69 LEU HA 69 LEU QD1 4.39 (#peak 1703 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1703, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1021,1022,1023,
&end
#
# 66 PRO HA 69 LEU HB2 4.25 (#peak 1707 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1707, nxpk= 0, iat= 973,1016, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 66 PRO HA 69 LEU HG 4.86 (#peak 1710 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 1710, nxpk= 0, iat= 973,1019, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 66 PRO HA 69 LEU QD1 4.04 (#peak 1718 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1718, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1021,1022,1023,
&end
#
# 70 THR HA 70 THR QG2 3.50 (#peak 1722 #SUP 1.00;)
&rst
ixpk= 1722, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1037,1038,1039,
&end
#
# 70 THR HA 73 ALA QB 3.72 (#peak 1723 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1723, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1083,1084,1085,
&end
#
# 70 THR QG2 71 MET HA 4.83 (#peak 1727 #SUP 0.50 #QF 0.50;)
&rst
ixpk= 1727, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1037,1038,1039,
&end
#
# 70 THR QG2 74 ARG QD 4.55 (#peak 1728 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 1728, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1037,1038,1039,
igr2=1099,1100,
&end
#
# 71 MET H 71 MET QE 5.06 (#peak 1730 #SUP 1.00;)
&rst
ixpk= 1730, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1056,1057,1058,
&end
#
# 71 MET H 71 MET HG2 4.44 (#peak 1731 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 1731, nxpk= 0, iat=1045,1052, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 70 THR HB 71 MET QE 6.15 (#peak 1735 #SUP 0.92 #QF 0.90;)
&rst
ixpk= 1735, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1056,1057,1058,
&end
#
# 71 MET HG2 71 MET QE 4.29 (#peak 1736 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1736, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1056,1057,1058,
&end
#
# 71 MET HA 71 MET HG3 4.29 (#peak 1740 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1740, nxpk= 0, iat=1047,1053, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 71 MET HG3 71 MET QE 4.29 (#peak 1741 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1741, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1056,1057,1058,
&end
#
# 63 ILE QD1 71 MET QE 3.69 (#peak 1743 #SUP 0.61 #QF 0.61;)
&rst
ixpk= 1743, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 925, 926, 927,
igr2=1056,1057,1058,
&end
#
# 41 GLN HG2 72 MET QE 5.21 (#peak 1769 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 1769, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1073,1074,1075,
&end
#
# 41 GLN HG3 72 MET QE 5.21 (#peak 1770 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 1770, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1073,1074,1075,
&end
#
# 72 MET HA 76 MET QE 5.63 (#peak 1777 #SUP 0.95 #QF 0.37;)
&rst
ixpk= 1777, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2=1146,1147,1148,
&end
#
# 73 ALA HA 76 MET QE 5.92 (#peak 1777 #SUP 0.95 #QF 0.37;)
&rst
ixpk= 1777, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr2=1146,1147,1148,
&end
#
# 72 MET QE 76 MET HG2 6.18 (#peak 1782 #SUP 0.98 #QF 0.80;)
&rst
ixpk= 1782, nxpk= 0, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92,
igr1=1073,1074,1075,
&end
#
# 74 ARG HA 74 ARG QD 4.48 (#peak 1791 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1791, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1099,1100,
&end
#
# 74 ARG QB 74 ARG QD 3.42 (#peak 1796 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1796, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1093,1094,
igr2=1099,1100,
&end
#
# 75 LYS HA 75 LYS QG 3.76 (#peak 1813 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1813, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1120,1121,
&end
#
# 75 LYS QG 75 LYS HE3 4.15 (#peak 1816 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 1816, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1120,1121,
&end
#
# 76 MET HA 76 MET HG3 4.19 (#peak 1823 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1823, nxpk= 0, iat=1137,1143, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 77 LYS QB 77 LYS QE 5.04 (#peak 1837 #SUP 0.46 #QF 0.46;)
&rst
ixpk= 1837, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1156,1157,
igr2=1165,1166,
&end
#
# 77 LYS HA 77 LYS QG 3.80 (#peak 1838 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1838, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1159,1160,
&end
#
# 77 LYS HA 79 THR QG2 4.86 (#peak 1846 #SUP 0.49 #QF 0.49;)
&rst
ixpk= 1846, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1192,1193,1194,
&end
#
# 79 THR HA 79 THR QG2 3.48 (#peak 1847 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 1847, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1192,1193,1194,
&end
#
# 79 THR QG2 80 ASP HA 4.85 (#peak 1852 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 1852, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1192,1193,1194,
&end
#
# 79 THR HA 80 ASP QB 5.07 (#peak 1855 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 1855, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1204,1205,
&end
#
# 82 GLU H 82 GLU QG 4.43 (#peak 1871 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 1871, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1230,1231,
&end
#
# 113 GLY QA 114 GLU QG 4.40 (#peak 1872 #SUP 0.64 #QF 0.64;)
&rst
ixpk= 1872, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1718,1719,
igr2=1730,1731,
&end
#
# 82 GLU HA 82 GLU QG 4.33 (#peak 1873 #SUP 0.73 #QF 0.73;)
&rst
ixpk= 1873, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1230,1231,
&end
#
# 83 GLU H 83 GLU QB 3.45 (#peak 1878 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 1878, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1242,1243,
&end
#
# 104 GLU H 104 GLU HG3 4.87 (#peak 1879 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1879, nxpk= 0, iat=1561,1569, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 84 GLU H 84 GLU QG 4.06 (#peak 1883 #SUP 0.34 #QF 0.34;)
&rst
ixpk= 1883, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1260,1261,
&end
#
# 81 SER HA 84 GLU QG 6.29 (#peak 1886 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 1886, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2=1260,1261,
&end
#
# 84 GLU HA 84 GLU QG 3.49 (#peak 1887 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1887, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1260,1261,
&end
#
# 85 ILE H 85 ILE HG12 4.78 (#peak 1892 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 1892, nxpk= 0, iat=1268,1278, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 85 ILE HA 85 ILE QD1 4.29 (#peak 1896 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1896, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1281,1282,1283,
&end
#
# 85 ILE HA 85 ILE QG2 3.75 (#peak 1898 #SUP 1.00;)
&rst
ixpk= 1898, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1274,1275,1276,
&end
#
# 85 ILE HA 88 ALA QB 3.95 (#peak 1899 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1899, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1330,1331,1332,
&end
#
# 82 GLU HA 85 ILE QD1 3.95 (#peak 1902 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 1902, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1281,1282,1283,
&end
#
# 85 ILE QG2 85 ILE QD1 3.51 (#peak 1907 #SUP 1.00;)
&rst
ixpk= 1907, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1274,1275,1276,
igr2=1281,1282,1283,
&end
#
# 85 ILE QG2 85 ILE HG13 4.42 (#peak 1908 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1908, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1274,1275,1276,
&end
#
# 85 ILE QG2 145 MET QE 3.49 (#peak 1909 #SUP 0.59 #QF 0.59;)
&rst
ixpk= 1909, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1274,1275,1276,
igr2=2211,2212,2213,
&end
#
# 85 ILE QG2 160 ILE QG2 5.11 (#peak 1912 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1912, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1=1274,1275,1276,
igr2=2411,2412,2413,
&end
#
# 85 ILE QG2 86 ARG HA 4.81 (#peak 1915 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 1915, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1274,1275,1276,
&end
#
# 87 GLU H 87 GLU QB 3.48 (#peak 1924 #SUP 0.35 #QF 0.35;)
&rst
ixpk= 1924, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1315,1316,
&end
#
# 87 GLU H 87 GLU QG 3.77 (#peak 1925 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1925, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1318,1319,
&end
#
# 88 ALA QB 159 VAL QG2 3.98 (#peak 1935 #SUP 0.97 #QF 0.96;)
&rst
ixpk= 1935, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1330,1331,1332,
igr2=2399,2400,2401,
&end
#
# 86 ARG HA 89 PHE H 4.96 (#peak 1936 #SUP 0.69 #QF 0.69;)
&rst
ixpk= 1936, nxpk= 0, iat=1289,1336, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 88 ALA QB 89 PHE HA 4.81 (#peak 1943 #SUP 0.69 #QF 0.69;)
&rst
ixpk= 1943, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1330,1331,1332,
&end
#
# 89 PHE HA 160 ILE QD1 4.03 (#peak 1945 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1945, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=2418,2419,2420,
&end
#
# 85 ILE QG2 89 PHE QD 4.01 (#peak 1950 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1950, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1274,1275,1276,
igr2=1344,1352,
&end
#
# 86 ARG HD3 89 PHE QD 4.67 (#peak 1952 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1952, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1344,1352,
&end
#
# 86 ARG HG2 89 PHE QD 5.93 (#peak 1953 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1953, nxpk= 0, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2=1344,1352,
&end
#
# 86 ARG HG3 89 PHE QD 5.93 (#peak 1954 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1954, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2=1344,1352,
&end
#
# 89 PHE QD 142 VAL QG2 4.98 (#peak 1960 #SUP 0.58 #QF 0.58;)
&rst
ixpk= 1960, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=1344,1352,
igr2=2160,2161,2162,
&end
#
# 89 PHE QE 105 LEU QD2 4.37 (#peak 1962 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1962, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=1346,1350,
igr2=1589,1590,1591,
&end
#
# 90 ARG HA 93 ASP HB3 4.41 (#peak 1968 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1968, nxpk= 0, iat=1358,1421, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 87 GLU HA 90 ARG QD 4.33 (#peak 1969 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1969, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1366,1367,
&end
#
# 91 VAL HA 91 VAL QG1 3.62 (#peak 1977 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1977, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1386,1387,1388,
&end
#
# 91 VAL HA 91 VAL QG2 3.62 (#peak 1978 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1978, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1390,1391,1392,
&end
#
# 88 ALA HA 91 VAL QG1 5.10 (#peak 1981 #SUP 0.67 #QF 0.67;)
&rst
ixpk= 1981, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1386,1387,1388,
&end
#
# 88 ALA HA 91 VAL QG2 5.10 (#peak 1985 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1985, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1390,1391,1392,
&end
#
# 90 ARG HA 92 PHE H 5.08 (#peak 1996 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1996, nxpk= 0, iat=1358,1396, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 91 VAL QG1 92 PHE H 4.34 (#peak 1998 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 1998, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1386,1387,1388,
&end
#
# 92 PHE HB3 100 ILE QD1 4.50 (#peak 2007 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2007, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1524,1525,1526,
&end
#
# 92 PHE QD 108 VAL HB 4.92 (#peak 2010 #SUP 0.50 #QF 0.50;)
&rst
ixpk= 2010, nxpk= 0, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1404,1412,
&end
#
# 92 PHE QE 112 LEU QD2 4.67 (#peak 2014 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2014, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1406,1410,
igr2=1710,1711,1712,
&end
#
# 93 ASP HA 94 LYS QB 5.04 (#peak 2023 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2023, nxpk= 0, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1432,1433,
&end
#
# 94 LYS H 94 LYS HG3 4.35 (#peak 2032 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2032, nxpk= 0, iat=1428,1436, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 94 LYS HA 94 LYS QD 4.11 (#peak 2033 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 2033, nxpk= 0, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1438,1439,
&end
#
# 94 LYS HA 94 LYS HG2 4.40 (#peak 2034 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2034, nxpk= 0, iat=1430,1435, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 94 LYS HA 94 LYS HG3 4.40 (#peak 2035 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2035, nxpk= 0, iat=1430,1436, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 94 LYS HA 94 LYS QB 3.14 (#peak 2039 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2039, nxpk= 0, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2=1432,1433,
&end
#
# 98 GLY HA3 138 TYR QE 5.65 (#peak 2076 #SUP 0.97 #QF 0.41;)
&rst
ixpk= 2076, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=2089,2094,
&end
#
# 100 ILE HA 100 ILE QD1 4.73 (#peak 2085 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 2085, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1524,1525,1526,
&end
#
# 100 ILE HA 100 ILE HG12 4.26 (#peak 2086 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 2086, nxpk= 0, iat=1513,1521, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 100 ILE HA 100 ILE QG2 3.90 (#peak 2087 #SUP 1.00;)
&rst
ixpk= 2087, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1517,1518,1519,
&end
#
# 89 PHE HA 100 ILE QD1 4.91 (#peak 2092 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 2092, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1524,1525,1526,
&end
#
# 92 PHE HA 100 ILE QD1 6.31 (#peak 2094 #SUP 0.70 #QF 0.70;)
&rst
ixpk= 2094, nxpk= 0, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr2=1524,1525,1526,
&end
#
# 92 PHE HB2 100 ILE QD1 4.50 (#peak 2095 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2095, nxpk= 0, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1524,1525,1526,
&end
#
# 100 ILE QG2 100 ILE HG13 4.17 (#peak 2098 #SUP 0.70 #QF 0.70;)
&rst
ixpk= 2098, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1517,1518,1519,
&end
#
# 100 ILE QG2 136 VAL QG1 5.08 (#peak 2101 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2101, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1517,1518,1519,
igr2=2055,2056,2057,
&end
#
# 100 ILE QG2 136 VAL QG2 5.22 (#peak 2102 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2102, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1=1517,1518,1519,
igr2=2059,2060,2061,
&end
#
# 101 SER H 101 SER HB2 4.12 (#peak 2108 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2108, nxpk= 0, iat=1530,1534, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 101 SER HA 136 VAL QG2 4.63 (#peak 2112 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 2112, nxpk= 0, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=2059,2060,2061,
&end
#
# 101 SER HB3 102 ALA H 4.60 (#peak 2118 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2118, nxpk= 0, iat=1535,1541, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 102 ALA HA 125 ILE QD1 4.24 (#peak 2122 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 2122, nxpk= 0, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1908,1909,1910,
&end
#
# 100 ILE HG13 136 VAL QG2 4.04 (#peak 2127 #SUP 0.97 #QF 0.84;)
&rst
ixpk= 2127, nxpk= 0, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2059,2060,2061,
&end
#
# 102 ALA QB 136 VAL QG2 4.25 (#peak 2127 #SUP 0.97 #QF 0.84;)
&rst
ixpk= 2127, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1545,1546,1547,
igr2=2059,2060,2061,
&end
#
# 101 SER HB2 104 GLU H 4.96 (#peak 2134 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 2134, nxpk= 0, iat=1534,1561, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 101 SER HB3 104 GLU H 4.96 (#peak 2135 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2135, nxpk= 0, iat=1535,1561, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 100 ILE QD1 104 GLU QB 4.96 (#peak 2147 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 2147, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1524,1525,1526,
igr2=1565,1566,
&end
#
# 101 SER HB2 104 GLU QB 4.92 (#peak 2148 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2148, nxpk= 0, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1565,1566,
&end
#
# 101 SER HB3 104 GLU QB 4.92 (#peak 2149 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 2149, nxpk= 0, iat=1535, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1565,1566,
&end
#
# 102 ALA HA 105 LEU H 4.83 (#peak 2152 #SUP 0.73 #QF 0.73;)
&rst
ixpk= 2152, nxpk= 0, iat=1543,1576, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 105 LEU H 105 LEU HG 4.79 (#peak 2159 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2159, nxpk= 0, iat=1576,1583, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 105 LEU HA 105 LEU QD1 4.95 (#peak 2161 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 2161, nxpk= 0, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1585,1586,1587,
&end
#
# 105 LEU HA 108 VAL QG1 4.91 (#peak 2163 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 2163, nxpk= 0, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1642,1643,1644,
&end
#
# 105 LEU HA 108 VAL QG2 4.91 (#peak 2164 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 2164, nxpk= 0, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1646,1647,1648,
&end
#
# 105 LEU HA 109 MET QE 4.96 (#peak 2165 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 2165, nxpk= 0, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1663,1664,1665,
&end
#
# 27 ILE HG13 32 LEU HB2 4.76 (#peak 2171 #SUP 0.34 #QF 0.34;)
&rst
ixpk= 2171, nxpk= 0, iat= 401, 478, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 105 LEU HB3 106 ARG H 4.86 (#peak 2179 #SUP 1.00;)
&rst
ixpk= 2179, nxpk= 0, iat=1581,1595, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 103 ALA HA 106 ARG QB 4.02 (#peak 2195 #SUP 0.33 #QF 0.33;)
&rst
ixpk= 2195, nxpk= 0, iat=1553, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=1599,1600,
&end
#
# 106 ARG HA 106 ARG QG 4.01 (#peak 2197 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 2197, nxpk= 0, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1602,1603,
&end
#
# 105 LEU HA 107 HIS H 4.51 (#peak 2203 #SUP 0.37 #QF 0.37;)
&rst
ixpk= 2203, nxpk= 0, iat=1578,1619, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 104 GLU HA 107 HIS HB2 4.35 (#peak 2211 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2211, nxpk= 0, iat=1563,1623, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 104 GLU HA 107 HIS HB3 4.35 (#peak 2214 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2214, nxpk= 0, iat=1563,1624, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 107 HIS HD2 108 VAL HA 4.97 (#peak 2217 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 2217, nxpk= 0, iat=1632,1638, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 108 VAL HA 108 VAL QG1 3.71 (#peak 2225 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2225, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1642,1643,1644,
&end
#
# 108 VAL HA 112 LEU HG 4.96 (#peak 2227 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 2227, nxpk= 0, iat=1638,1704, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 105 LEU HA 108 VAL HB 4.94 (#peak 2228 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 2228, nxpk= 0, iat=1578,1640, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 108 VAL QG1 109 MET QE 3.56 (#peak 2234 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2234, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1642,1643,1644,
igr2=1663,1664,1665,
&end
#
# 108 VAL QG1 157 ALA HA 5.40 (#peak 2235 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2235, nxpk= 0, iat= -1,2364, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1642,1643,1644,
&end
#
# 108 VAL QG2 109 MET H 4.32 (#peak 2246 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2246, nxpk= 0, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1646,1647,1648,
&end
#
# 109 MET H 109 MET QE 4.17 (#peak 2249 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2249, nxpk= 0, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1663,1664,1665,
&end
#
# 109 MET HA 109 MET QE 3.53 (#peak 2254 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 2254, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1663,1664,1665,
&end
#
# 109 MET HG2 109 MET QE 4.11 (#peak 2263 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 2263, nxpk= 0, iat=1659, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1663,1664,1665,
&end
#
# 109 MET HG3 109 MET QE 4.11 (#peak 2266 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2266, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1663,1664,1665,
&end
#
# 109 MET QE 160 ILE QG2 3.64 (#peak 2274 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 2274, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1663,1664,1665,
igr2=2411,2412,2413,
&end
#
# 110 THR H 110 THR QG2 3.87 (#peak 2276 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 2276, nxpk= 0, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1675,1676,1677,
&end
#
# 110 THR HA 115 LYS HA 4.85 (#peak 2279 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 2279, nxpk= 0, iat=1671,1740, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 110 THR HA 110 THR QG2 3.75 (#peak 2281 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2281, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1675,1676,1677,
&end
#
# 110 THR QG2 118 ASP HA 5.13 (#peak 2284 #SUP 0.33 #QF 0.33;)
&rst
ixpk= 2284, nxpk= 0, iat= -1,1795, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1675,1676,1677,
&end
#
# 110 THR QG2 121 VAL HB 4.71 (#peak 2285 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 2285, nxpk= 0, iat= -1,1839, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1675,1676,1677,
&end
#
# 111 ASN HA 115 LYS HD2 5.13 (#peak 2293 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2293, nxpk= 0, iat=1685,1748, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 111 ASN HA 115 LYS QE 4.44 (#peak 2294 #SUP 0.61 #QF 0.61;)
&rst
ixpk= 2294, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1751,1752,
&end
#
# 111 ASN HB2 111 ASN HD22 4.27 (#peak 2301 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 2301, nxpk= 0, iat=1687,1693, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 112 LEU HA 112 LEU QD2 4.46 (#peak 2310 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2310, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1710,1711,1712,
&end
#
# 112 LEU HA 112 LEU HG 4.41 (#peak 2311 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 2311, nxpk= 0, iat=1699,1704, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 112 LEU QD1 154 GLU HA 4.28 (#peak 2317 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2317, nxpk= 0, iat= -1,2322, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1706,1707,1708,
&end
#
# 112 LEU HA 113 GLY H 3.58 (#peak 2321 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2321, nxpk= 0, iat=1699,1716, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 113 GLY QA 157 ALA QB 4.22 (#peak 2326 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 2326, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1718,1719,
igr2=2366,2367,2368,
&end
#
# 113 GLY QA 158 MET HG2 4.61 (#peak 2327 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2327, nxpk= 0, iat= -1,2379, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1718,1719,
&end
#
# 113 GLY QA 158 MET HG3 4.61 (#peak 2328 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2328, nxpk= 0, iat= -1,2380, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1718,1719,
&end
#
# 114 GLU H 114 GLU QG 4.38 (#peak 2332 #SUP 0.55 #QF 0.55;)
&rst
ixpk= 2332, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1730,1731,
&end
#
# 114 GLU HA 114 GLU QG 3.74 (#peak 2339 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2339, nxpk= 0, iat=1725, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1730,1731,
&end
#
# 114 GLU QG 115 LYS H 4.43 (#peak 2342 #SUP 0.49 #QF 0.49;)
&rst
ixpk= 2342, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1730,1731,
&end
#
# 115 LYS H 115 LYS HD2 5.09 (#peak 2345 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2345, nxpk= 0, iat=1738,1748, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 115 LYS H 115 LYS QE 4.92 (#peak 2346 #SUP 0.69 #QF 0.69;)
&rst
ixpk= 2346, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1751,1752,
&end
#
# 115 LYS HG2 115 LYS QE 4.17 (#peak 2353 #SUP 0.65 #QF 0.65;)
&rst
ixpk= 2353, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1751,1752,
&end
#
# 115 LYS HG3 115 LYS QE 4.17 (#peak 2357 #SUP 0.74 #QF 0.74;)
&rst
ixpk= 2357, nxpk= 0, iat=1746, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1751,1752,
&end
#
# 110 THR HA 115 LYS QB 4.33 (#peak 2358 #SUP 0.61 #QF 0.61;)
&rst
ixpk= 2358, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1742,1743,
&end
#
# 115 LYS QB 115 LYS QE 5.00 (#peak 2362 #SUP 0.56 #QF 0.56;)
&rst
ixpk= 2362, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1742,1743,
igr2=1751,1752,
&end
#
# 110 THR QG2 116 LEU H 4.57 (#peak 2366 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 2366, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1675,1676,1677,
&end
#
# 116 LEU H 116 LEU QD1 4.83 (#peak 2369 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2369, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1769,1770,1771,
&end
#
# 116 LEU HA 116 LEU QD1 5.07 (#peak 2371 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2371, nxpk= 0, iat=1762, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1769,1770,1771,
&end
#
# 116 LEU HA 116 LEU QD2 5.07 (#peak 2372 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 2372, nxpk= 0, iat=1762, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1773,1774,1775,
&end
#
# 117 THR H 117 THR QG2 3.61 (#peak 2383 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 2383, nxpk= 0, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1785,1786,1787,
&end
#
# 117 THR HA 117 THR QG2 3.46 (#peak 2386 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2386, nxpk= 0, iat=1781, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1785,1786,1787,
&end
#
# 117 THR QG2 118 ASP H 3.26 (#peak 2388 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 2388, nxpk= 0, iat= -1,1793, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1785,1786,1787,
&end
#
# 119 GLU HA 122 ASP HB2 4.68 (#peak 2399 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 2399, nxpk= 0, iat=1807,1855, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 120 GLU H 120 GLU HG2 4.79 (#peak 2401 #SUP 0.57 #QF 0.57;)
&rst
ixpk= 2401, nxpk= 0, iat=1820,1827, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 120 GLU HA 124 MET QE 5.59 (#peak 2405 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 2405, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2=1889,1890,1891,
&end
#
# 120 GLU HA 168 LEU QD1 4.96 (#peak 2406 #SUP 0.94 #QF 0.92;)
&rst
ixpk= 2406, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=2569,2570,2571,
&end
#
# 120 GLU HA 168 LEU QD2 4.96 (#peak 2407 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 2407, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=2573,2574,2575,
&end
#
# 116 LEU QD1 120 GLU HB3 6.22 (#peak 2410 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2410, nxpk= 0, iat= -1,1825, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=1769,1770,1771,
&end
#
# 13 LYS HB3 13 LYS QE 4.58 (#peak 2411 #SUP 0.71 #QF 0.53;)
&rst
ixpk= 2411, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 200, 201,
&end
#
# 121 VAL HA 124 MET QE 4.59 (#peak 2421 #SUP 0.68 #QF 0.68;)
&rst
ixpk= 2421, nxpk= 0, iat=1837, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1889,1890,1891,
&end
#
# 119 GLU HA 122 ASP HB3 4.68 (#peak 2438 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2438, nxpk= 0, iat=1807,1856, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 123 GLU HA 126 ARG HB3 4.64 (#peak 2446 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 2446, nxpk= 0, iat=1865,1919, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 123 GLU QB 124 MET HA 5.04 (#peak 2451 #SUP 0.59 #QF 0.59;)
&rst
ixpk= 2451, nxpk= 0, iat= -1,1880, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1867,1868,
&end
#
# 123 GLU QB 168 LEU QD1 4.64 (#peak 2452 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2452, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=1867,1868,
igr2=2569,2570,2571,
&end
#
# 123 GLU QB 168 LEU QD2 4.64 (#peak 2453 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 2453, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=1867,1868,
igr2=2573,2574,2575,
&end
#
# 124 MET HA 124 MET QG 4.08 (#peak 2461 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 2461, nxpk= 0, iat=1880, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1885,1886,
&end
#
# 125 ILE HA 125 ILE QD1 4.16 (#peak 2469 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2469, nxpk= 0, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1908,1909,1910,
&end
#
# 125 ILE HA 125 ILE QG2 3.61 (#peak 2471 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 2471, nxpk= 0, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1901,1902,1903,
&end
#
# 122 ASP HA 125 ILE HB 4.32 (#peak 2472 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 2472, nxpk= 0, iat=1853,1899, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 125 ILE HB 125 ILE QD1 4.24 (#peak 2474 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2474, nxpk= 0, iat=1899, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1908,1909,1910,
&end
#
# 125 ILE QG2 125 ILE HG13 4.00 (#peak 2484 #SUP 1.00;)
&rst
ixpk= 2484, nxpk= 0, iat= -1,1906, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1901,1902,1903,
&end
#
# 102 ALA HA 125 ILE QG2 5.07 (#peak 2491 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 2491, nxpk= 0, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1901,1902,1903,
&end
#
# 102 ALA QB 125 ILE QG2 3.44 (#peak 2492 #SUP 0.50 #QF 0.50;)
&rst
ixpk= 2492, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1545,1546,1547,
igr2=1901,1902,1903,
&end
#
# 125 ILE QG2 125 ILE QD1 3.50 (#peak 2495 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 2495, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1901,1902,1903,
igr2=1908,1909,1910,
&end
#
# 125 ILE QG2 129 ASP HB3 4.73 (#peak 2497 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 2497, nxpk= 0, iat= -1,1968, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1901,1902,1903,
&end
#
# 125 ILE HB 126 ARG H 4.39 (#peak 2499 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 2499, nxpk= 0, iat=1899,1914, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 126 ARG H 126 ARG HG3 5.00 (#peak 2502 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2502, nxpk= 0, iat=1914,1922, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 ILE QG2 126 ARG HA 4.61 (#peak 2503 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 2503, nxpk= 0, iat= -1,1916, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1901,1902,1903,
&end
#
# 123 GLU HA 126 ARG HB2 4.64 (#peak 2504 #SUP 0.60 #QF 0.60;)
&rst
ixpk= 2504, nxpk= 0, iat=1865,1918, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 127 GLU H 127 GLU HB3 4.19 (#peak 2511 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 2511, nxpk= 0, iat=1938,1943, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 127 GLU HA 130 ILE QD1 4.68 (#peak 2514 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 2514, nxpk= 0, iat=1940, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1988,1989,1990,
&end
#
# 127 GLU HA 130 ILE QG2 4.32 (#peak 2516 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 2516, nxpk= 0, iat=1940, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1981,1982,1983,
&end
#
# 127 GLU HA 127 GLU HG3 4.39 (#peak 2517 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 2517, nxpk= 0, iat=1940,1946, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 128 ALA HA 144 MET QE 4.97 (#peak 2522 #SUP 0.66 #QF 0.66;)
&rst
ixpk= 2522, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2194,2195,2196,
&end
#
# 125 ILE QG2 129 ASP HB2 4.73 (#peak 2527 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2527, nxpk= 0, iat= -1,1967, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1901,1902,1903,
&end
#
# 129 ASP HA 130 ILE H 3.75 (#peak 2532 #SUP 0.76 #QF 0.76;)
&rst
ixpk= 2532, nxpk= 0, iat=1965,1975, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 130 ILE H 130 ILE QD1 4.50 (#peak 2533 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 2533, nxpk= 0, iat=1975, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1988,1989,1990,
&end
#
# 130 ILE H 130 ILE QG2 4.19 (#peak 2536 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2536, nxpk= 0, iat=1975, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1981,1982,1983,
&end
#
# 130 ILE HA 130 ILE QG2 4.40 (#peak 2537 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 2537, nxpk= 0, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1981,1982,1983,
&end
#
# 135 GLN HA 136 VAL H 3.51 (#peak 2556 #SUP 0.70 #QF 0.70;)
&rst
ixpk= 2556, nxpk= 0, iat=2034,2049, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 136 VAL H 136 VAL HB 4.14 (#peak 2557 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 2557, nxpk= 0, iat=2049,2053, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 136 VAL HA 136 VAL QG1 3.87 (#peak 2558 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2558, nxpk= 0, iat=2051, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2055,2056,2057,
&end
#
# 136 VAL HA 136 VAL QG2 3.83 (#peak 2559 #SUP 1.00;)
&rst
ixpk= 2559, nxpk= 0, iat=2051, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=2059,2060,2061,
&end
#
# 100 ILE QG2 136 VAL HB 4.50 (#peak 2560 #SUP 1.00;)
&rst
ixpk= 2560, nxpk= 0, iat= -1,2053, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1517,1518,1519,
&end
#
# 136 VAL QG1 138 TYR HA 4.34 (#peak 2565 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 2565, nxpk= 0, iat= -1,2081, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=2055,2056,2057,
&end
#
# 99 TYR HA 138 TYR H 4.42 (#peak 2587 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2587, nxpk= 0, iat=1492,2079, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 136 VAL QG1 138 TYR H 4.32 (#peak 2589 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2589, nxpk= 0, iat= -1,2079, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=2055,2056,2057,
&end
#
# 136 VAL QG1 138 TYR QB 4.30 (#peak 2594 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 2594, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=2055,2056,2057,
igr2=2083,2084,
&end
#
# 100 ILE HB 138 TYR QD 5.02 (#peak 2597 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2597, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=2087,2096,
&end
#
# 98 GLY HA2 138 TYR QE 5.65 (#peak 2605 #SUP 0.92 #QF 0.74;)
&rst
ixpk= 2605, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=2089,2094,
&end
#
# 139 GLU HA 139 GLU HG3 4.32 (#peak 2611 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2611, nxpk= 0, iat=2102,2108, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 140 GLU H 140 GLU QB 3.86 (#peak 2614 #SUP 0.74 #QF 0.74;)
&rst
ixpk= 2614, nxpk= 0, iat=2115, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=2119,2120,
&end
#
# 140 GLU H 140 GLU HG2 4.05 (#peak 2615 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 2615, nxpk= 0, iat=2115,2122, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 140 GLU H 140 GLU HG3 4.05 (#peak 2616 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 2616, nxpk= 0, iat=2115,2123, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 138 TYR HA 141 PHE H 3.90 (#peak 2618 #SUP 0.52 #QF 0.52;)
&rst
ixpk= 2618, nxpk= 0, iat=2081,2130, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 141 PHE H 141 PHE HB2 4.16 (#peak 2619 #SUP 0.47 #QF 0.47;)
&rst
ixpk= 2619, nxpk= 0, iat=2130,2134, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 141 PHE HA 144 MET HB2 5.37 (#peak 2622 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 2622, nxpk= 0, iat=2132,2187, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 141 PHE HA 144 MET HB3 5.37 (#peak 2623 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 2623, nxpk= 0, iat=2132,2188, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 141 PHE HA 144 MET QE 4.71 (#peak 2624 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 2624, nxpk= 0, iat=2132, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2194,2195,2196,
&end
#
# 136 VAL QG1 141 PHE HB2 4.85 (#peak 2625 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2625, nxpk= 0, iat= -1,2134, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=2055,2056,2057,
&end
#
# 136 VAL QG1 141 PHE HB3 4.85 (#peak 2627 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 2627, nxpk= 0, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=2055,2056,2057,
&end
#
# 138 TYR HA 141 PHE HB3 4.25 (#peak 2628 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2628, nxpk= 0, iat=2081,2135, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 127 GLU HB3 141 PHE QE 4.90 (#peak 2635 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 2635, nxpk= 0, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2140,2144,
&end
#
# 142 VAL HA 142 VAL QG1 3.76 (#peak 2640 #SUP 1.00;)
&rst
ixpk= 2640, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=2156,2157,2158,
&end
#
# 142 VAL HB 143 GLN H 4.32 (#peak 2653 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2653, nxpk= 0, iat=2154,2166, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 144 MET HA 144 MET HG2 4.43 (#peak 2664 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2664, nxpk= 0, iat=2185,2190, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 144 MET HA 144 MET HG3 4.43 (#peak 2665 #SUP 1.00;)
&rst
ixpk= 2665, nxpk= 0, iat=2185,2191, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 145 MET QE 163 ALA QB 3.81 (#peak 2688 #SUP 0.71 #QF 0.71;)
&rst
ixpk= 2688, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=2211,2212,2213,
igr2=2469,2470,2471,
&end
#
# 85 ILE QD1 146 THR HB 5.35 (#peak 2692 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 2692, nxpk= 0, iat= -1,2221, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1281,1282,1283,
&end
#
# 82 GLU HA 146 THR QG2 4.23 (#peak 2695 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 2695, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2223,2224,2225,
&end
#
# 82 GLU QG 146 THR QG2 4.19 (#peak 2696 #SUP 0.39 #QF 0.39;)
&rst
ixpk= 2696, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1230,1231,
igr2=2223,2224,2225,
&end
#
# 85 ILE QD1 146 THR QG2 3.89 (#peak 2697 #SUP 0.64 #QF 0.64;)
&rst
ixpk= 2697, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1281,1282,1283,
igr2=2223,2224,2225,
&end
#
# 146 THR HA 146 THR QG2 3.48 (#peak 2699 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 2699, nxpk= 0, iat=2219, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=2223,2224,2225,
&end
#
# 147 ALA H 147 ALA QB 3.18 (#peak 2703 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 2703, nxpk= 0, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=2235,2236,2237,
&end
#
# 148 LYS HA 148 LYS QG 3.74 (#peak 2717 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2717, nxpk= 0, iat=2243, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2248,2249,
&end
#
# 149 GLY QA 150 PRO QD 3.09 (#peak 2720 #SUP 1.00;)
&rst
ixpk= 2720, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=2268,2269,
igr2=2274,2275,
&end
#
# 153 GLU H 153 GLU HG2 4.49 (#peak 2757 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2757, nxpk= 0, iat=2305,2312, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 153 GLU H 153 GLU HG3 4.49 (#peak 2758 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2758, nxpk= 0, iat=2305,2313, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 153 GLU HA 153 GLU HG3 4.02 (#peak 2762 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2762, nxpk= 0, iat=2307,2313, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 112 LEU QD2 154 GLU HA 4.28 (#peak 2772 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 2772, nxpk= 0, iat= -1,2322, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1710,1711,1712,
&end
#
# 155 VAL H 155 VAL HB 3.81 (#peak 2779 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2779, nxpk= 0, iat=2335,2339, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 155 VAL HA 155 VAL QG1 3.53 (#peak 2781 #SUP 1.00;)
&rst
ixpk= 2781, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=2341,2342,2343,
&end
#
# 155 VAL HA 158 MET QE 3.55 (#peak 2782 #SUP 0.44 #QF 0.44;)
&rst
ixpk= 2782, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=2383,2384,2385,
&end
#
# 152 SER HA 155 VAL QG2 4.28 (#peak 2786 #SUP 0.72 #QF 0.72;)
&rst
ixpk= 2786, nxpk= 0, iat=2296, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2345,2346,2347,
&end
#
# 155 VAL HB 156 SER H 4.14 (#peak 2789 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2789, nxpk= 0, iat=2339,2351, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 155 VAL QG1 156 SER H 4.24 (#peak 2790 #SUP 1.00;)
&rst
ixpk= 2790, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2341,2342,2343,
&end
#
# 109 MET QE 157 ALA H 5.05 (#peak 2792 #SUP 1.00;)
&rst
ixpk= 2792, nxpk= 0, iat= -1,2362, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1663,1664,1665,
&end
#
# 109 MET QE 157 ALA HA 3.52 (#peak 2796 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2796, nxpk= 0, iat= -1,2364, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1663,1664,1665,
&end
#
# 157 ALA HA 160 ILE QG2 5.00 (#peak 2800 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2800, nxpk= 0, iat=2364, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2411,2412,2413,
&end
#
# 109 MET QE 157 ALA QB 3.66 (#peak 2801 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 2801, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1663,1664,1665,
igr2=2366,2367,2368,
&end
#
# 157 ALA QB 158 MET H 3.68 (#peak 2805 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2805, nxpk= 0, iat= -1,2372, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=2366,2367,2368,
&end
#
# 157 ALA QB 158 MET HG3 5.39 (#peak 2814 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2814, nxpk= 0, iat= -1,2380, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2366,2367,2368,
&end
#
# 159 VAL HA 159 VAL QG2 3.83 (#peak 2825 #SUP 1.00;)
&rst
ixpk= 2825, nxpk= 0, iat=2391, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=2399,2400,2401,
&end
#
# 88 ALA QB 159 VAL HB 4.28 (#peak 2826 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2826, nxpk= 0, iat= -1,2393, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1330,1331,1332,
&end
#
# 159 VAL HB 160 ILE HA 6.03 (#peak 2830 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2830, nxpk= 0, iat=2393,2407, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 159 VAL HA 159 VAL QG1 3.83 (#peak 2831 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 2831, nxpk= 0, iat=2391, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=2395,2396,2397,
&end
#
# 85 ILE HG12 160 ILE HA 4.96 (#peak 2834 #SUP 0.97 #QF 0.55;)
&rst
ixpk= 2834, nxpk= 0, iat=1278,2407, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 88 ALA QB 160 ILE H 4.17 (#peak 2838 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2838, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1330,1331,1332,
&end
#
# 109 MET QE 160 ILE H 4.49 (#peak 2839 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2839, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1663,1664,1665,
&end
#
# 159 VAL QG1 160 ILE H 4.38 (#peak 2842 #SUP 0.76 #QF 0.76;)
&rst
ixpk= 2842, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=2395,2396,2397,
&end
#
# 160 ILE H 160 ILE QD1 3.92 (#peak 2846 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2846, nxpk= 0, iat=2405, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2418,2419,2420,
&end
#
# 142 VAL HA 145 MET QE 3.56 (#peak 2849 #SUP 0.76 #QF 0.68;)
&rst
ixpk= 2849, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=2211,2212,2213,
&end
#
# 145 MET QE 160 ILE HA 4.05 (#peak 2849 #SUP 0.76 #QF 0.68;)
&rst
ixpk= 2849, nxpk= 0, iat= -1,2407, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2211,2212,2213,
&end
#
# 160 ILE HA 160 ILE QD1 4.57 (#peak 2852 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2852, nxpk= 0, iat=2407, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2418,2419,2420,
&end
#
# 160 ILE HA 160 ILE QG2 3.56 (#peak 2854 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2854, nxpk= 0, iat=2407, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=2411,2412,2413,
&end
#
# 160 ILE HA 163 ALA QB 3.74 (#peak 2855 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 2855, nxpk= 0, iat=2407, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2469,2470,2471,
&end
#
# 109 MET QE 160 ILE HB 3.99 (#peak 2856 #SUP 0.47 #QF 0.47;)
&rst
ixpk= 2856, nxpk= 0, iat= -1,2409, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1663,1664,1665,
&end
#
# 85 ILE QG2 160 ILE HG12 4.79 (#peak 2857 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2857, nxpk= 0, iat= -1,2415, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1274,1275,1276,
&end
#
# 88 ALA QB 160 ILE HG12 4.38 (#peak 2858 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2858, nxpk= 0, iat= -1,2415, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1330,1331,1332,
&end
#
# 160 ILE HA 160 ILE HG12 4.37 (#peak 2859 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2859, nxpk= 0, iat=2407,2415, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 160 ILE QG2 160 ILE HG12 4.03 (#peak 2863 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2863, nxpk= 0, iat= -1,2415, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=2411,2412,2413,
&end
#
# 85 ILE QG2 160 ILE QD1 5.04 (#peak 2864 #SUP 1.00;)
&rst
ixpk= 2864, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1274,1275,1276,
igr2=2418,2419,2420,
&end
#
# 109 MET QE 160 ILE QD1 3.60 (#peak 2867 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2867, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1663,1664,1665,
igr2=2418,2419,2420,
&end
#
# 124 MET QE 160 ILE QD1 5.24 (#peak 2868 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 2868, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1889,1890,1891,
igr2=2418,2419,2420,
&end
#
# 157 ALA HA 160 ILE QD1 4.25 (#peak 2869 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2869, nxpk= 0, iat=2364, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=2418,2419,2420,
&end
#
# 157 ALA QB 160 ILE QD1 5.13 (#peak 2870 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2870, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1=2366,2367,2368,
igr2=2418,2419,2420,
&end
#
# 159 VAL QG1 160 ILE QD1 5.84 (#peak 2871 #SUP 0.49 #QF 0.49;)
&rst
ixpk= 2871, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1=2395,2396,2397,
igr2=2418,2419,2420,
&end
#
# 160 ILE QG2 160 ILE QD1 3.42 (#peak 2876 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2876, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=2411,2412,2413,
igr2=2418,2419,2420,
&end
#
# 124 MET QE 160 ILE QG2 3.34 (#peak 2877 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 2877, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1889,1890,1891,
igr2=2411,2412,2413,
&end
#
# 145 MET QE 160 ILE QG2 4.05 (#peak 2878 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 2878, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=2211,2212,2213,
igr2=2411,2412,2413,
&end
#
# 160 ILE QG2 161 GLN HA 4.90 (#peak 2892 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 2892, nxpk= 0, iat= -1,2426, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2411,2412,2413,
&end
#
# 8 GLN HA 8 GLN HG3 4.06 (#peak 2894 #SUP 0.98 #QF 0.96;)
&rst
ixpk= 2894, nxpk= 0, iat= 108, 114, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 85 ILE QD1 163 ALA H 5.46 (#peak 2906 #SUP 0.64 #QF 0.64;)
&rst
ixpk= 2906, nxpk= 0, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1281,1282,1283,
&end
#
# 163 ALA H 164 PHE HA 5.58 (#peak 2910 #SUP 0.62 #QF 0.62;)
&rst
ixpk= 2910, nxpk= 0, iat=2465,2477, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 85 ILE QD1 163 ALA HA 5.38 (#peak 2911 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 2911, nxpk= 0, iat= -1,2467, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1281,1282,1283,
&end
#
# 85 ILE QD1 163 ALA QB 3.48 (#peak 2913 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 2913, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1281,1282,1283,
igr2=2469,2470,2471,
&end
#
# 88 ALA QB 159 VAL HA 6.06 (#peak 2914 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 2914, nxpk= 0, iat= -1,2391, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1330,1331,1332,
&end
#
# 159 VAL HA 163 ALA QB 6.44 (#peak 2914 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 2914, nxpk= 0, iat=2391, -1, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
igr2=2469,2470,2471,
&end
#
# 163 ALA QB 164 PHE HA 5.03 (#peak 2916 #SUP 0.70 #QF 0.70;)
&rst
ixpk= 2916, nxpk= 0, iat= -1,2477, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=2469,2470,2471,
&end
#
# 160 ILE HA 164 PHE H 5.71 (#peak 2918 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2918, nxpk= 0, iat=2407,2475, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 124 MET QE 164 PHE HA 5.02 (#peak 2924 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2924, nxpk= 0, iat= -1,2477, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1889,1890,1891,
&end
#
# 145 MET QE 164 PHE HA 4.62 (#peak 2925 #SUP 0.68 #QF 0.68;)
&rst
ixpk= 2925, nxpk= 0, iat= -1,2477, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=2211,2212,2213,
&end
#
# 124 MET QE 164 PHE HB2 4.34 (#peak 2928 #SUP 1.00;)
&rst
ixpk= 2928, nxpk= 0, iat= -1,2479, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1889,1890,1891,
&end
#
# 161 GLN HA 164 PHE HB2 4.95 (#peak 2929 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 2929, nxpk= 0, iat=2426,2479, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 124 MET QE 164 PHE HB3 3.92 (#peak 2932 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2932, nxpk= 0, iat= -1,2480, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1889,1890,1891,
&end
#
# 116 LEU QD2 164 PHE QD 4.57 (#peak 2939 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 2939, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1773,1774,1775,
igr2=2483,2491,
&end
#
# 124 MET QE 164 PHE QE 4.64 (#peak 2947 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2947, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=1889,1890,1891,
igr2=2485,2489,
&end
#
# 164 PHE QE 168 LEU QD1 4.28 (#peak 2949 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2949, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=2485,2489,
igr2=2569,2570,2571,
&end
#
# 165 ARG HA 168 LEU HB3 4.98 (#peak 2958 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2958, nxpk= 0, iat=2497,2565, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 165 ARG HA 165 ARG QG 4.12 (#peak 2967 #SUP 0.61 #QF 0.61;)
&rst
ixpk= 2967, nxpk= 0, iat=2497, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=2502,2503,
&end
#
# 126 ARG H 126 ARG HB3 4.02 (#peak 2968 #SUP 0.75 #QF 0.31;)
&rst
ixpk= 2968, nxpk= 0, iat=1914,1919, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 163 ALA HA 166 ARG QB 4.12 (#peak 2974 #SUP 0.52 #QF 0.52;)
&rst
ixpk= 2974, nxpk= 0, iat=2467, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=2523,2524,
&end
#
# 164 PHE HA 167 HIS HB3 4.43 (#peak 2984 #SUP 0.42 #QF 0.42;)
&rst
ixpk= 2984, nxpk= 0, iat=2477,2548, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 167 HIS HD2 168 LEU QD1 4.56 (#peak 2987 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2987, nxpk= 0, iat=2556, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2569,2570,2571,
&end
#
# 168 LEU H 168 LEU QD2 4.40 (#peak 2996 #SUP 0.54 #QF 0.54;)
&rst
ixpk= 2996, nxpk= 0, iat=2560, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2573,2574,2575,
&end
#
# 168 LEU HA 168 LEU QD1 4.46 (#peak 2999 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2999, nxpk= 0, iat=2562, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=2569,2570,2571,
&end
#
# 168 LEU HA 168 LEU QD2 4.46 (#peak 3000 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3000, nxpk= 0, iat=2562, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=2573,2574,2575,
&end
#
# 168 LEU HA 171 ARG QG 4.90 (#peak 3003 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3003, nxpk= 0, iat=2562, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2622,2623,
&end
#
# 168 LEU HB2 169 LEU H 4.68 (#peak 3024 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3024, nxpk= 0, iat=2564,2579, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 168 LEU HB3 169 LEU H 4.68 (#peak 3025 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3025, nxpk= 0, iat=2565,2579, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 169 LEU H 169 LEU QQD 4.03 (#peak 3027 #SUP 0.52 #QF 0.52;)
&rst
ixpk= 3027, nxpk= 0, iat=2579, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=2588,2589,2590,2592,2593,2594,
&end
#
# 169 LEU H 169 LEU HG 4.84 (#peak 3028 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3028, nxpk= 0, iat=2579,2586, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 169 LEU HG 170 GLN H 5.02 (#peak 3031 #SUP 0.59 #QF 0.59;)
&rst
ixpk= 3031, nxpk= 0, iat=2586,2598, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 170 GLN H 170 GLN QB 3.16 (#peak 3032 #SUP 0.47 #QF 0.47;)
&rst
ixpk= 3032, nxpk= 0, iat=2598, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=2602,2603,
&end
#
# 167 HIS HA 170 GLN QB 4.06 (#peak 3036 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 3036, nxpk= 0, iat=2545, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=2602,2603,
&end
#
# 171 ARG H 171 ARG QG 4.14 (#peak 3040 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 3040, nxpk= 0, iat=2615, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2622,2623,
&end
#
# 172 SER HA 173 LEU HB2 4.84 (#peak 3051 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 3051, nxpk= 0, iat=2641,2654, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 171 ARG HA 171 ARG QG 3.71 (#peak 3052 #SUP 0.70 #QF 0.70;)
&rst
ixpk= 3052, nxpk= 0, iat=2617, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=2622,2623,
&end
#
# 18 LEU HA 18 LEU QD2 4.33 (#peak 3060 #SUP 0.59 #QF 0.59;)
&rst
ixpk= 3060, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 278, 279, 280,
&end
#
# 173 LEU H 173 LEU HB3 4.32 (#peak 3061 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 3061, nxpk= 0, iat=2650,2655, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 173 LEU H 173 LEU QD1 4.43 (#peak 3063 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 3063, nxpk= 0, iat=2650, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2659,2660,2661,
&end
#
# 173 LEU H 173 LEU HG 5.25 (#peak 3064 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3064, nxpk= 0, iat=2650,2657, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 173 LEU HA 173 LEU QD1 3.29 (#peak 3067 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 3067, nxpk= 0, iat=2652, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=2659,2660,2661,
&end
#
# 173 LEU HB3 173 LEU QD2 3.65 (#peak 3071 #SUP 0.70 #QF 0.70;)
&rst
ixpk= 3071, nxpk= 0, iat=2655, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=2663,2664,2665,
&end
#
# 179 LEU HA 179 LEU QQD 4.50 (#peak 3098 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 3098, nxpk= 0, iat=2751, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2758,2759,2760,2762,2763,2764,
&end
#
# 116 LEU QD2 161 GLN HG2 5.73 (#peak 3101 #SUP 0.71 #QF 0.71;)
&rst
ixpk= 3101, nxpk= 0, iat= -1,2431, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1=1773,1774,1775,
&end
#
# 43 PRO QG 48 LEU QD1 4.17 (#peak 3105 #SUP 0.70 #QF 0.50;)
&rst
ixpk= 3105, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 643, 644,
igr2= 716, 717, 718,
&end
#
# 9 ILE HA 9 ILE QD1 4.22 (#peak 3111 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 3111, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 136, 137, 138,
&end
#
# 6 GLU HA 9 ILE QD1 3.56 (#peak 3112 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3112, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 136, 137, 138,
&end
#
# 49 GLN HA 52 ILE QD1 3.63 (#peak 3113 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 3113, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 785, 786, 787,
&end
#
# 82 GLU HA 85 ILE HB 4.75 (#peak 3122 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 3122, nxpk= 0, iat=1225,1272, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 88 ALA HA 160 ILE QD1 5.40 (#peak 3124 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3124, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=2418,2419,2420,
&end
#
# 159 VAL HB 160 ILE QD1 6.34 (#peak 3126 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 3126, nxpk= 0, iat=2393, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr2=2418,2419,2420,
&end
#
# 101 SER HA 102 ALA QB 4.28 (#peak 3129 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 3129, nxpk= 0, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1545,1546,1547,
&end
#
# 93 ASP HA 100 ILE QG2 4.69 (#peak 3130 #SUP 0.50 #QF 0.50;)
&rst
ixpk= 3130, nxpk= 0, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1517,1518,1519,
&end
#
# 28 THR HB 62 THR QG2 5.02 (#peak 3131 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 3131, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 904, 905, 906,
&end
#
# 169 LEU HA 169 LEU QQD 3.31 (#peak 3141 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 3141, nxpk= 0, iat=2581, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=2588,2589,2590,2592,2593,2594,
&end
#
# 173 LEU HA 173 LEU QD2 4.45 (#peak 3143 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 3143, nxpk= 0, iat=2652, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=2663,2664,2665,
&end
#
# 170 GLN HA 173 LEU QD2 4.47 (#peak 3144 #SUP 0.24 #QF 0.24;)
&rst
ixpk= 3144, nxpk= 0, iat=2600, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2663,2664,2665,
&end
#
# 49 GLN HA 49 GLN QG 3.89 (#peak 3145 #SUP 1.00 #QF 0.97;)
&rst
ixpk= 3145, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 733, 734,
&end
#
# 143 GLN HA 143 GLN QG 4.12 (#peak 3145 #SUP 1.00 #QF 0.97;)
&rst
ixpk= 3145, nxpk= 0, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=2173,2174,
&end
#
# 49 GLN H 49 GLN QG 4.24 (#peak 3148 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 3148, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 733, 734,
&end
#
# 168 LEU HA 171 ARG QB 4.53 (#peak 3152 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3152, nxpk= 0, iat=2562, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2619,2620,
&end
#
# 164 PHE HA 167 HIS HB2 4.43 (#peak 3155 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 3155, nxpk= 0, iat=2477,2547, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 116 LEU QB 116 LEU QD2 4.23 (#peak 3158 #SUP 0.64 #QF 0.64;)
&rst
ixpk= 3158, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1764,1765,
igr2=1773,1774,1775,
&end
#
# 116 LEU QD2 120 GLU HB3 6.22 (#peak 3159 #SUP 0.67 #QF 0.67;)
&rst
ixpk= 3159, nxpk= 0, iat= -1,1825, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=1773,1774,1775,
&end
#
# 113 GLY QA 158 MET QE 5.09 (#peak 3160 #SUP 0.96 #QF 0.38;)
&rst
ixpk= 3160, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=1718,1719,
igr2=2383,2384,2385,
&end
#
# 113 GLY QA 114 GLU QB 5.93 (#peak 3161 #SUP 1.00 #QF 0.96;)
&rst
ixpk= 3161, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=1718,1719,
igr2=1727,1728,
&end
#
# 113 GLY QA 154 GLU QG 5.35 (#peak 3162 #SUP 0.97 #QF 0.78;)
&rst
ixpk= 3162, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1718,1719,
igr2=2327,2328,
&end
#
# 123 GLU H 123 GLU HG2 5.08 (#peak 3163 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 3163, nxpk= 0, iat=1863,1870, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 138 TYR HA 141 PHE HB2 4.25 (#peak 3166 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 3166, nxpk= 0, iat=2081,2134, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 90 ARG HA 90 ARG QD 4.50 (#peak 3167 #SUP 0.96 #QF 0.45;)
&rst
ixpk= 3167, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1366,1367,
&end
#
# 142 VAL HA 142 VAL QG2 3.76 (#peak 3170 #SUP 1.00;)
&rst
ixpk= 3170, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=2160,2161,2162,
&end
#
# 141 PHE H 141 PHE HB3 4.16 (#peak 3173 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 3173, nxpk= 0, iat=2130,2135, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 24 ASP H 25 GLY H 3.54 (#peak 3003 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3003, nxpk= 0, iat= 357, 369, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 25 GLY H 26 THR H 3.70 (#peak 3004 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3004, nxpk= 0, iat= 369, 376, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 23 GLY H 25 GLY H 4.69 (#peak 3005 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 3005, nxpk= 0, iat= 350, 369, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 164 PHE H 167 HIS H 5.92 (#peak 3014 #SUP 0.91 #QF 0.82;)
&rst
ixpk= 3014, nxpk= 0, iat=2475,2543, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 164 PHE H 165 ARG H 4.01 (#peak 3015 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3015, nxpk= 0, iat=2475,2495, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 164 PHE H 164 PHE QD 4.44 (#peak 3017 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 3017, nxpk= 0, iat=2475, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=2483,2491,
&end
#
# 58 ASP H 60 ASN H 4.79 (#peak 3020 #SUP 0.62 #QF 0.62;)
&rst
ixpk= 3020, nxpk= 0, iat= 858, 877, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 13 LYS H 14 GLU H 3.68 (#peak 3029 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3029, nxpk= 0, iat= 187, 209, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 13 LYS H 65 PHE HZ 4.06 (#peak 3031 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3031, nxpk= 0, iat= 187, 955, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 113 GLY H 114 GLU H 4.82 (#peak 3034 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 3034, nxpk= 0, iat=1716,1723, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 99 TYR QE 137 ASN H 4.64 (#peak 3036 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 3036, nxpk= 0, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1500,1505,
&end
#
# 99 TYR QD 137 ASN H 4.92 (#peak 3037 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 3037, nxpk= 0, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1498,1507,
&end
#
# 101 SER H 102 ALA H 4.85 (#peak 3039 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 3039, nxpk= 0, iat=1530,1541, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 26 THR HA 63 ILE H 5.10 (#peak 3044 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 3044, nxpk= 0, iat= 378, 912, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 28 THR H 63 ILE H 5.68 (#peak 3045 #SUP 0.92 #QF 0.35;)
&rst
ixpk= 3045, nxpk= 0, iat= 409, 912, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 29 THR H 63 ILE H 6.05 (#peak 3045 #SUP 0.92 #QF 0.35;)
&rst
ixpk= 3045, nxpk= 0, iat= 423, 912, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 10 ALA H 12 PHE H 4.67 (#peak 3053 #SUP 0.76 #QF 0.76;)
&rst
ixpk= 3053, nxpk= 0, iat= 142, 167, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 12 PHE H 13 LYS H 3.70 (#peak 3054 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 3054, nxpk= 0, iat= 167, 187, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 12 PHE H 14 GLU H 4.77 (#peak 3055 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 3055, nxpk= 0, iat= 167, 209, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 12 PHE H 12 PHE QD 3.75 (#peak 3057 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 3057, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 175, 183,
&end
#
# 121 VAL H 122 ASP H 3.94 (#peak 3058 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3058, nxpk= 0, iat=1835,1851, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 33 GLY H 34 THR H 3.56 (#peak 3061 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 3061, nxpk= 0, iat= 493, 500, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 32 LEU H 33 GLY H 3.90 (#peak 3062 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 3062, nxpk= 0, iat= 474, 493, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 160 ILE H 162 ARG H 4.46 (#peak 3063 #SUP 0.69 #QF 0.69;)
&rst
ixpk= 3063, nxpk= 0, iat=2405,2441, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 161 GLN H 162 ARG H 4.24 (#peak 3064 #SUP 1.00;)
&rst
ixpk= 3064, nxpk= 0, iat=2424,2441, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 81 SER H 82 GLU H 4.83 (#peak 3067 #SUP 0.66 #QF 0.66;)
&rst
ixpk= 3067, nxpk= 0, iat=1212,1223, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 82 GLU H 83 GLU H 4.13 (#peak 3068 #SUP 0.65 #QF 0.65;)
&rst
ixpk= 3068, nxpk= 0, iat=1223,1238, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 82 GLU H 84 GLU H 5.66 (#peak 3074 #SUP 0.99 #QF 0.69;)
&rst
ixpk= 3074, nxpk= 0, iat=1223,1253, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 118 ASP H 120 GLU H 6.39 (#peak 3074 #SUP 0.99 #QF 0.69;)
&rst
ixpk= 3074, nxpk= 0, iat=1793,1820, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, &end
#
# 165 ARG H 167 HIS H 6.24 (#peak 3074 #SUP 0.99 #QF 0.69;)
&rst
ixpk= 3074, nxpk= 0, iat=2495,2543, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, &end
#
# 5 THR H 12 PHE QE 5.18 (#peak 3075 #SUP 0.57 #QF 0.57;)
&rst
ixpk= 3075, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 177, 181,
&end
#
# 4 LEU H 5 THR H 5.02 (#peak 3079 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 3079, nxpk= 0, iat= 43, 62, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 100 ILE H 136 VAL H 4.29 (#peak 3085 #SUP 0.90 #QF 0.81;)
&rst
ixpk= 3085, nxpk= 0, iat=1511,2049, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 99 TYR QD 100 ILE H 4.37 (#peak 3088 #SUP 0.98 #QF 0.96;)
&rst
ixpk= 3088, nxpk= 0, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1498,1507,
&end
#
# 100 ILE H 138 TYR QE 4.94 (#peak 3088 #SUP 0.98 #QF 0.96;)
&rst
ixpk= 3088, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=2089,2094,
&end
#
# 16 PHE HZ 65 PHE H 4.35 (#peak 3096 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3096, nxpk= 0, iat= 246, 943, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 64 ASP H 65 PHE H 5.38 (#peak 3101 #SUP 0.96 #QF 0.25;)
&rst
ixpk= 3101, nxpk= 0, iat= 931, 943, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 108 VAL H 109 MET H 3.90 (#peak 3102 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 3102, nxpk= 0, iat=1636,1652, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 107 HIS H 108 VAL H 3.83 (#peak 3105 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 3105, nxpk= 0, iat=1619,1636, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 103 ALA H 105 LEU H 4.82 (#peak 3110 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 3110, nxpk= 0, iat=1551,1576, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 105 LEU H 106 ARG H 3.72 (#peak 3111 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3111, nxpk= 0, iat=1576,1595, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 104 GLU H 105 LEU H 3.70 (#peak 3113 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3113, nxpk= 0, iat=1561,1576, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 89 PHE QD 142 VAL H 6.34 (#peak 3116 #SUP 0.90 #QF 0.87;)
&rst
ixpk= 3116, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1=1344,1352,
&end
#
# 16 PHE H 17 SER H 3.58 (#peak 3120 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3120, nxpk= 0, iat= 234, 254, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 16 PHE H 19 PHE H 5.92 (#peak 3122 #SUP 0.99 #QF 0.92;)
&rst
ixpk= 3122, nxpk= 0, iat= 234, 284, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 16 PHE H 65 PHE HZ 6.49 (#peak 3122 #SUP 0.99 #QF 0.92;)
&rst
ixpk= 3122, nxpk= 0, iat= 234, 955, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, &end
#
# 95 ASP H 97 ASN H 4.78 (#peak 3131 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 3131, nxpk= 0, iat=1450,1469, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 156 SER H 157 ALA H 3.95 (#peak 3136 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 3136, nxpk= 0, iat=2351,2362, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 65 PHE QD 68 PHE H 6.01 (#peak 3138 #SUP 0.99 #QF 0.91;)
&rst
ixpk= 3138, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 951, 959,
&end
#
# 157 ALA H 158 MET H 3.87 (#peak 3139 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3139, nxpk= 0, iat=2362,2372, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 68 PHE QD 69 LEU H 3.65 (#peak 3140 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 3140, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1000,1008,
&end
#
# 69 LEU H 70 THR H 3.68 (#peak 3142 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 3142, nxpk= 0, iat=1012,1031, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 157 ALA H 160 ILE H 5.44 (#peak 3143 #SUP 0.42 #QF 0.42;)
&rst
ixpk= 3143, nxpk= 0, iat=2362,2405, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 68 PHE QE 69 LEU H 5.42 (#peak 3145 #SUP 0.91 #QF 0.83;)
&rst
ixpk= 3145, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1002,1006,
&end
#
# 36 MET H 37 ARG H 3.90 (#peak 3146 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 3146, nxpk= 0, iat= 530, 547, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 34 THR H 36 MET H 4.84 (#peak 3148 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3148, nxpk= 0, iat= 500, 530, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 65 PHE H 68 PHE H 4.99 (#peak 3149 #SUP 0.23 #QF 0.23;)
&rst
ixpk= 3149, nxpk= 0, iat= 943, 992, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 35 VAL H 36 MET H 3.60 (#peak 3150 #SUP 1.00;)
&rst
ixpk= 3150, nxpk= 0, iat= 514, 530, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 33 GLY H 36 MET H 5.35 (#peak 3162 #SUP 0.73 #QF 0.73;)
&rst
ixpk= 3162, nxpk= 0, iat= 493, 530, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 17 SER H 19 PHE QD 6.32 (#peak 3166 #SUP 0.91 #QF 0.22;)
&rst
ixpk= 3166, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 292, 300,
&end
#
# 17 SER H 20 ASP H 6.55 (#peak 3166 #SUP 0.91 #QF 0.22;)
&rst
ixpk= 3166, nxpk= 0, iat= 254, 304, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, &end
#
# 16 PHE QD 17 SER H 4.42 (#peak 3170 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 3170, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 242, 250,
&end
#
# 106 ARG H 108 VAL H 4.98 (#peak 3174 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 3174, nxpk= 0, iat=1595,1636, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 106 ARG H 107 HIS H 3.94 (#peak 3176 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3176, nxpk= 0, iat=1595,1619, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 83 GLU H 86 ARG H 4.97 (#peak 3179 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 3179, nxpk= 0, iat=1238,1287, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 122 ASP H 124 MET H 4.39 (#peak 3181 #SUP 0.52 #QF 0.52;)
&rst
ixpk= 3181, nxpk= 0, iat=1851,1878, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 83 GLU H 84 GLU H 3.87 (#peak 3182 #SUP 0.92 #QF 0.89;)
&rst
ixpk= 3182, nxpk= 0, iat=1238,1253, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 94 LYS H 95 ASP H 3.59 (#peak 3185 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 3185, nxpk= 0, iat=1428,1450, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 93 ASP H 94 LYS H 4.70 (#peak 3186 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3186, nxpk= 0, iat=1416,1428, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 48 LEU H 50 ASP H 4.58 (#peak 3190 #SUP 0.96 #QF 0.89;)
&rst
ixpk= 3190, nxpk= 0, iat= 707, 743, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 50 ASP H 52 ILE H 5.06 (#peak 3190 #SUP 0.96 #QF 0.89;)
&rst
ixpk= 3190, nxpk= 0, iat= 743, 772, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 45 GLU H 46 ALA H 3.69 (#peak 3193 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3193, nxpk= 0, iat= 667, 682, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 51 MET H 52 ILE H 3.50 (#peak 3195 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3195, nxpk= 0, iat= 755, 772, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 MET H 73 ALA H 3.78 (#peak 3198 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3198, nxpk= 0, iat=1062,1079, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 153 GLU H 154 GLU H 4.21 (#peak 3200 #SUP 0.40 #QF 0.40;)
&rst
ixpk= 3200, nxpk= 0, iat=2305,2320, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 27 ILE H 64 ASP H 5.22 (#peak 3201 #SUP 0.21 #QF 0.21;)
&rst
ixpk= 3201, nxpk= 0, iat= 390, 931, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 92 PHE HZ 154 GLU H 5.54 (#peak 3202 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 3202, nxpk= 0, iat=1408,2320, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 165 ARG H 168 LEU H 5.92 (#peak 3203 #SUP 0.97 #QF 0.95;)
&rst
ixpk= 3203, nxpk= 0, iat=2495,2560, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 124 MET H 125 ILE H 3.90 (#peak 3204 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 3204, nxpk= 0, iat=1878,1895, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 125 ILE H 126 ARG H 4.00 (#peak 3205 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3205, nxpk= 0, iat=1895,1914, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 167 HIS H 168 LEU H 4.04 (#peak 3206 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 3206, nxpk= 0, iat=2543,2560, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 4 LEU H 74 ARG H 5.73 (#peak 3208 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 3208, nxpk= 0, iat= 43,1089, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 52 ILE H 53 ASN H 3.41 (#peak 3210 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 3210, nxpk= 0, iat= 772, 791, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 53 ASN H 53 ASN HD22 4.42 (#peak 3211 #SUP 0.96 #QF 0.87;)
&rst
ixpk= 3211, nxpk= 0, iat= 791, 801, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 16 PHE HZ 27 ILE H 4.24 (#peak 3213 #SUP 1.00;)
&rst
ixpk= 3213, nxpk= 0, iat= 246, 390, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 51 MET H 53 ASN H 4.78 (#peak 3216 #SUP 0.96 #QF 0.58;)
&rst
ixpk= 3216, nxpk= 0, iat= 755, 791, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 166 ARG H 168 LEU H 5.04 (#peak 3216 #SUP 0.96 #QF 0.58;)
&rst
ixpk= 3216, nxpk= 0, iat=2519,2560, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 164 PHE QD 168 LEU H 4.99 (#peak 3217 #SUP 0.38 #QF 0.38;)
&rst
ixpk= 3217, nxpk= 0, iat= -1,2560, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2483,2491,
&end
#
# 53 ASN H 54 GLU H 3.44 (#peak 3219 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3219, nxpk= 0, iat= 791, 805, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 16 PHE QE 27 ILE H 4.05 (#peak 3220 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 3220, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 244, 248,
&end
#
# 53 ASN H 56 ASP H 4.86 (#peak 3221 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3221, nxpk= 0, iat= 791, 836, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 125 ILE H 164 PHE HZ 5.39 (#peak 3222 #SUP 0.45 #QF 0.45;)
&rst
ixpk= 3222, nxpk= 0, iat=1895,2487, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 151 GLY H 152 SER H 5.95 (#peak 3226 #SUP 0.97 #QF 0.83;)
&rst
ixpk= 3226, nxpk= 0, iat=2287,2294, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 9 ILE H 11 GLU H 4.58 (#peak 3229 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3229, nxpk= 0, iat= 123, 152, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 96 GLY H 98 GLY H 5.01 (#peak 3230 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 3230, nxpk= 0, iat=1462,1483, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 9 ILE H 12 PHE H 5.22 (#peak 3234 #SUP 0.71 #QF 0.71;)
&rst
ixpk= 3234, nxpk= 0, iat= 123, 167, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 138 TYR QE 139 GLU H 4.80 (#peak 3237 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 3237, nxpk= 0, iat= -1,2100, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2089,2094,
&end
#
# 138 TYR H 139 GLU H 3.91 (#peak 3240 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 3240, nxpk= 0, iat=2079,2100, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 138 TYR QD 139 GLU H 4.11 (#peak 3241 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 3241, nxpk= 0, iat= -1,2100, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=2087,2096,
&end
#
# 94 LYS H 96 GLY H 4.69 (#peak 3244 #SUP 0.56 #QF 0.34;)
&rst
ixpk= 3244, nxpk= 0, iat=1428,1462, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 124 MET H 164 PHE QE 4.47 (#peak 3248 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3248, nxpk= 0, iat=1878, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2485,2489,
&end
#
# 123 GLU H 124 MET H 3.90 (#peak 3249 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3249, nxpk= 0, iat=1863,1878, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 57 ALA H 59 GLY H 4.80 (#peak 3252 #SUP 0.95 #QF 0.53;)
&rst
ixpk= 3252, nxpk= 0, iat= 848, 870, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 124 MET H 164 PHE QD 5.47 (#peak 3253 #SUP 0.76 #QF 0.76;)
&rst
ixpk= 3253, nxpk= 0, iat=1878, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=2483,2491,
&end
#
# 109 MET H 110 THR H 4.18 (#peak 3259 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 3259, nxpk= 0, iat=1652,1669, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 176 ALA H 177 SER H 4.78 (#peak 3260 #SUP 0.43 #QF 0.43;)
&rst
ixpk= 3260, nxpk= 0, iat=2708,2718, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 107 HIS H 109 MET H 5.01 (#peak 3261 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 3261, nxpk= 0, iat=1619,1652, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 38 SER H 40 GLY H 4.47 (#peak 3263 #SUP 0.39 #QF 0.39;)
&rst
ixpk= 3263, nxpk= 0, iat= 571, 601, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 178 PHE H 178 PHE QD 4.83 (#peak 3266 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 3266, nxpk= 0, iat=2729, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2737,2745,
&end
#
# 84 GLU H 85 ILE H 3.97 (#peak 3268 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 3268, nxpk= 0, iat=1253,1268, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 85 ILE H 86 ARG H 3.84 (#peak 3271 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3271, nxpk= 0, iat=1268,1287, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 67 GLU H 68 PHE H 3.56 (#peak 3272 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3272, nxpk= 0, iat= 977, 992, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 65 PHE H 67 GLU H 5.21 (#peak 3274 #SUP 0.99 #QF 0.98;)
&rst
ixpk= 3274, nxpk= 0, iat= 943, 977, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 81 SER H 85 ILE H 5.84 (#peak 3274 #SUP 0.99 #QF 0.98;)
&rst
ixpk= 3274, nxpk= 0, iat=1212,1268, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 20 ASP H 21 LYS H 4.35 (#peak 3277 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3277, nxpk= 0, iat= 304, 316, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 48 LEU H 49 GLN H 3.45 (#peak 3280 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3280, nxpk= 0, iat= 707, 726, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 14 GLU H 16 PHE H 4.77 (#peak 3284 #SUP 1.00;)
&rst
ixpk= 3284, nxpk= 0, iat= 209, 234, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 14 GLU H 17 SER H 4.79 (#peak 3286 #SUP 0.43 #QF 0.43;)
&rst
ixpk= 3286, nxpk= 0, iat= 209, 254, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 71 MET H 72 MET H 3.76 (#peak 3289 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3289, nxpk= 0, iat=1045,1062, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 154 GLU H 156 SER H 4.78 (#peak 3297 #SUP 0.48 #QF 0.48;)
&rst
ixpk= 3297, nxpk= 0, iat=2320,2351, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 170 GLN H 171 ARG H 3.78 (#peak 3299 #SUP 0.50 #QF 0.50;)
&rst
ixpk= 3299, nxpk= 0, iat=2598,2615, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 171 ARG H 172 SER H 3.93 (#peak 3300 #SUP 0.68 #QF 0.68;)
&rst
ixpk= 3300, nxpk= 0, iat=2615,2639, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 92 PHE HZ 156 SER H 4.67 (#peak 3303 #SUP 0.65 #QF 0.65;)
&rst
ixpk= 3303, nxpk= 0, iat=1408,2351, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 90 ARG H 138 TYR QE 5.31 (#peak 3307 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 3307, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=2089,2094,
&end
#
# 32 LEU H 35 VAL H 5.31 (#peak 3309 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 3309, nxpk= 0, iat= 474, 514, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 169 LEU H 171 ARG H 5.34 (#peak 3310 #SUP 0.99 #QF 0.91;)
&rst
ixpk= 3310, nxpk= 0, iat=2579,2615, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 34 THR H 35 VAL H 3.52 (#peak 3314 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3314, nxpk= 0, iat= 500, 514, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 159 VAL H 160 ILE H 3.89 (#peak 3321 #SUP 0.99 #QF 0.32;)
&rst
ixpk= 3321, nxpk= 0, iat=2389,2405, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 159 VAL H 161 GLN H 5.18 (#peak 3322 #SUP 0.95 #QF 0.77;)
&rst
ixpk= 3322, nxpk= 0, iat=2389,2424, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 161 GLN H 163 ALA H 5.54 (#peak 3322 #SUP 0.95 #QF 0.77;)
&rst
ixpk= 3322, nxpk= 0, iat=2424,2465, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 163 ALA H 164 PHE H 3.83 (#peak 3324 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 3324, nxpk= 0, iat=2465,2475, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 162 ARG H 163 ALA H 3.98 (#peak 3325 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 3325, nxpk= 0, iat=2441,2465, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 35 VAL H 38 SER H 5.37 (#peak 3326 #SUP 0.22 #QF 0.22;)
&rst
ixpk= 3326, nxpk= 0, iat= 514, 571, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 126 ARG H 164 PHE HZ 6.28 (#peak 3330 #SUP 0.63 #QF 0.63;)
&rst
ixpk= 3330, nxpk= 0, iat=1914,2487, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, &end
#
# 124 MET H 126 ARG H 4.54 (#peak 3331 #SUP 1.00;)
&rst
ixpk= 3331, nxpk= 0, iat=1878,1914, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 59 GLY H 61 GLY H 4.89 (#peak 3335 #SUP 0.38 #QF 0.38;)
&rst
ixpk= 3335, nxpk= 0, iat= 870, 891, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 9 ILE H 10 ALA H 3.55 (#peak 3341 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3341, nxpk= 0, iat= 123, 142, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 127 GLU H 141 PHE QE 5.46 (#peak 3344 #SUP 0.73 #QF 0.22;)
&rst
ixpk= 3344, nxpk= 0, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2=2140,2144,
&end
#
# 164 PHE QD 167 HIS H 5.78 (#peak 3344 #SUP 0.73 #QF 0.22;)
&rst
ixpk= 3344, nxpk= 0, iat= -1,2543, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2483,2491,
&end
#
# 99 TYR H 99 TYR QE 5.96 (#peak 3345 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 3345, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2=1500,1505,
&end
#
# 167 HIS H 167 HIS HD2 5.29 (#peak 3350 #SUP 0.68 #QF 0.68;)
&rst
ixpk= 3350, nxpk= 0, iat=2543,2556, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 127 GLU H 128 ALA H 3.87 (#peak 3352 #SUP 0.89 #QF 0.25;)
&rst
ixpk= 3352, nxpk= 0, iat=1938,1953, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 166 ARG H 167 HIS H 4.25 (#peak 3352 #SUP 0.89 #QF 0.25;)
&rst
ixpk= 3352, nxpk= 0, iat=2519,2543, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 124 MET H 127 GLU H 5.60 (#peak 3362 #SUP 0.74 #QF 0.74;)
&rst
ixpk= 3362, nxpk= 0, iat=1878,1938, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 120 GLU H 123 GLU H 4.74 (#peak 3363 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3363, nxpk= 0, iat=1820,1863, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 120 GLU H 164 PHE QE 5.07 (#peak 3365 #SUP 0.69 #QF 0.69;)
&rst
ixpk= 3365, nxpk= 0, iat=1820, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=2485,2489,
&end
#
# 129 ASP H 130 ILE H 4.48 (#peak 3370 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 3370, nxpk= 0, iat=1963,1975, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 50 ASP H 53 ASN H 5.88 (#peak 3372 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3372, nxpk= 0, iat= 743, 791, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 50 ASP H 51 MET H 3.43 (#peak 3373 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 3373, nxpk= 0, iat= 743, 755, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 49 GLN H 50 ASP H 3.42 (#peak 3374 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3374, nxpk= 0, iat= 726, 743, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 174 LYS H 175 HIS H 4.85 (#peak 3379 #SUP 0.66 #QF 0.66;)
&rst
ixpk= 3379, nxpk= 0, iat=2669,2691, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 11 GLU H 13 LYS H 4.78 (#peak 3385 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3385, nxpk= 0, iat= 152, 187, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 11 GLU H 12 PHE H 3.53 (#peak 3387 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 3387, nxpk= 0, iat= 152, 167, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 10 ALA H 11 GLU H 3.73 (#peak 3388 #SUP 0.98 #QF 0.94;)
&rst
ixpk= 3388, nxpk= 0, iat= 142, 152, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 107 HIS H 110 THR H 5.79 (#peak 3389 #SUP 0.83 #QF 0.52;)
&rst
ixpk= 3389, nxpk= 0, iat=1619,1669, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 53 ASN H 53 ASN HD21 4.42 (#peak 3395 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3395, nxpk= 0, iat= 791, 800, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 172 SER H 173 LEU H 4.00 (#peak 3399 #SUP 0.82 #QF 0.48;)
&rst
ixpk= 3399, nxpk= 0, iat=2639,2650, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 173 LEU H 174 LYS H 4.30 (#peak 3399 #SUP 0.82 #QF 0.48;)
&rst
ixpk= 3399, nxpk= 0, iat=2650,2669, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 47 GLU H 49 GLN H 4.83 (#peak 3402 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3402, nxpk= 0, iat= 692, 726, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 68 PHE QD 70 THR H 6.09 (#peak 3404 #SUP 0.84 #QF 0.49;)
&rst
ixpk= 3404, nxpk= 0, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1=1000,1008,
&end
#
# 68 PHE QD 71 MET H 6.41 (#peak 3404 #SUP 0.84 #QF 0.49;)
&rst
ixpk= 3404, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1000,1008,
&end
#
# 144 MET H 145 MET H 3.63 (#peak 3407 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3407, nxpk= 0, iat=2183,2200, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 88 ALA H 89 PHE H 3.69 (#peak 3408 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3408, nxpk= 0, iat=1326,1336, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 87 GLU H 89 PHE H 4.95 (#peak 3410 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3410, nxpk= 0, iat=1311,1336, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 89 PHE H 90 ARG H 3.75 (#peak 3411 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 3411, nxpk= 0, iat=1336,1356, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 144 MET H 146 THR H 4.44 (#peak 3412 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 3412, nxpk= 0, iat=2183,2217, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 89 PHE H 138 TYR QE 5.93 (#peak 3415 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 3415, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2=2089,2094,
&end
#
# 75 LYS H 76 MET H 3.30 (#peak 3417 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 3417, nxpk= 0, iat=1113,1135, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 178 PHE H 179 LEU H 3.45 (#peak 3419 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 3419, nxpk= 0, iat=2729,2749, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 15 ALA H 16 PHE H 3.54 (#peak 3424 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 3424, nxpk= 0, iat= 224, 234, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 15 ALA H 17 SER H 4.63 (#peak 3425 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3425, nxpk= 0, iat= 224, 254, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 14 GLU H 15 ALA H 3.45 (#peak 3426 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3426, nxpk= 0, iat= 209, 224, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 155 VAL H 156 SER H 3.83 (#peak 3427 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 3427, nxpk= 0, iat=2335,2351, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 29 THR H 30 LYS H 3.69 (#peak 3428 #SUP 0.96 #QF 0.85;)
&rst
ixpk= 3428, nxpk= 0, iat= 423, 437, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 55 VAL H 56 ASP H 3.23 (#peak 3432 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 3432, nxpk= 0, iat= 820, 836, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 169 LEU H 170 GLN H 3.73 (#peak 3436 #SUP 0.71 #QF 0.71;)
&rst
ixpk= 3436, nxpk= 0, iat=2579,2598, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 168 LEU H 169 LEU H 3.82 (#peak 3437 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 3437, nxpk= 0, iat=2560,2579, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 110 THR H 112 LEU H 4.85 (#peak 3439 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 3439, nxpk= 0, iat=1669,1697, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 16 PHE QE 26 THR H 4.07 (#peak 3440 #SUP 0.32 #QF 0.32;)
&rst
ixpk= 3440, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 244, 248,
&end
#
# 156 SER H 158 MET H 5.80 (#peak 3441 #SUP 1.00 #QF 0.92;)
&rst
ixpk= 3441, nxpk= 0, iat=2351,2372, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 143 GLN H 144 MET H 4.09 (#peak 3443 #SUP 0.99 #QF 0.97;)
&rst
ixpk= 3443, nxpk= 0, iat=2166,2183, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 164 PHE QE 167 HIS HD2 3.73 (#peak 3445 #SUP 0.72 #QF 0.72;)
&rst
ixpk= 3445, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=2485,2489,
&end
#
# 23 GLY H 26 THR H 5.66 (#peak 3453 #SUP 0.97 #QF 0.74;)
&rst
ixpk= 3453, nxpk= 0, iat= 350, 376, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 158 MET H 159 VAL H 3.94 (#peak 3454 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3454, nxpk= 0, iat=2372,2389, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 143 GLN H 145 MET H 5.02 (#peak 3455 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 3455, nxpk= 0, iat=2166,2200, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 167 HIS H 169 LEU H 4.62 (#peak 3456 #SUP 0.43 #QF 0.43;)
&rst
ixpk= 3456, nxpk= 0, iat=2543,2579, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 52 ILE H 54 GLU H 4.89 (#peak 3460 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3460, nxpk= 0, iat= 772, 805, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 111 ASN HD22 112 LEU H 5.33 (#peak 3474 #SUP 0.70 #QF 0.21;)
&rst
ixpk= 3474, nxpk= 0, iat=1693,1697, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 123 GLU H 164 PHE QE 5.57 (#peak 3474 #SUP 0.70 #QF 0.21;)
&rst
ixpk= 3474, nxpk= 0, iat=1863, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2=2485,2489,
&end
#
# 122 ASP H 123 GLU H 3.81 (#peak 3482 #SUP 0.99 #QF 0.28;)
&rst
ixpk= 3482, nxpk= 0, iat=1851,1863, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 30 LYS H 31 GLU H 3.68 (#peak 3483 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 3483, nxpk= 0, iat= 437, 459, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 72 MET H 74 ARG H 4.86 (#peak 3498 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 3498, nxpk= 0, iat=1062,1089, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 74 ARG H 76 MET H 4.69 (#peak 3499 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 3499, nxpk= 0, iat=1089,1135, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 73 ALA H 74 ARG H 3.64 (#peak 3500 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3500, nxpk= 0, iat=1079,1089, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 74 ARG H 75 LYS H 3.48 (#peak 3502 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3502, nxpk= 0, iat=1089,1113, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 147 ALA H 148 LYS H 4.77 (#peak 3507 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 3507, nxpk= 0, iat=2231,2241, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 146 THR H 147 ALA H 3.54 (#peak 3509 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 3509, nxpk= 0, iat=2217,2231, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 11 GLU H 65 PHE HZ 5.94 (#peak 3510 #SUP 0.45 #QF 0.45;)
&rst
ixpk= 3510, nxpk= 0, iat= 152, 955, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 19 PHE H 20 ASP H 3.14 (#peak 3511 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 3511, nxpk= 0, iat= 284, 304, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 14 GLU H 65 PHE HZ 5.18 (#peak 3514 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3514, nxpk= 0, iat= 209, 955, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 16 PHE HZ 68 PHE QD 5.26 (#peak 3515 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3515, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1000,1008,
&end
#
# 16 PHE QD 16 PHE HZ 4.02 (#peak 3517 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 3517, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 242, 250,
&end
#
# 31 GLU H 32 LEU H 3.43 (#peak 3524 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3524, nxpk= 0, iat= 459, 474, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 30 LYS H 32 LEU H 4.59 (#peak 3525 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 3525, nxpk= 0, iat= 437, 474, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 110 THR H 111 ASN H 3.90 (#peak 3527 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 3527, nxpk= 0, iat=1669,1683, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 17 SER H 18 LEU H 3.77 (#peak 3528 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3528, nxpk= 0, iat= 254, 265, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 111 ASN H 111 ASN HD21 4.95 (#peak 3530 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 3530, nxpk= 0, iat=1683,1692, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 37 ARG H 39 LEU H 5.92 (#peak 3531 #SUP 0.95 #QF 0.88;)
&rst
ixpk= 3531, nxpk= 0, iat= 547, 582, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 140 GLU H 142 VAL H 6.03 (#peak 3531 #SUP 0.95 #QF 0.88;)
&rst
ixpk= 3531, nxpk= 0, iat=2115,2150, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 39 LEU H 40 GLY H 3.61 (#peak 3535 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3535, nxpk= 0, iat= 582, 601, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 139 GLU H 140 GLU H 3.66 (#peak 3537 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 3537, nxpk= 0, iat=2100,2115, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 92 PHE HZ 157 ALA H 3.95 (#peak 3541 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3541, nxpk= 0, iat=1408,2362, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 16 PHE QD 19 PHE QD 6.54 (#peak 3545 #SUP 0.97 #QF 0.74;)
&rst
ixpk= 3545, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
igr1= 242, 250,
igr2= 292, 300,
&end
#
# 16 PHE QD 20 ASP H 6.83 (#peak 3545 #SUP 0.97 #QF 0.74;)
&rst
ixpk= 3545, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
igr1= 242, 250,
&end
#
# 18 LEU H 20 ASP H 4.46 (#peak 3547 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 3547, nxpk= 0, iat= 265, 304, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 19 PHE QD 35 VAL H 4.78 (#peak 3548 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3548, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 292, 300,
&end
#
# 124 MET H 164 PHE HZ 4.27 (#peak 3552 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 3552, nxpk= 0, iat=1878,2487, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 12 PHE H 12 PHE QE 5.48 (#peak 3554 #SUP 0.99 #QF 0.95;)
&rst
ixpk= 3554, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 177, 181,
&end
#
# 160 ILE H 161 GLN H 4.13 (#peak 3559 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3559, nxpk= 0, iat=2405,2424, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 164 PHE QD 167 HIS HD2 3.72 (#peak 3566 #SUP 0.76 #QF 0.76;)
&rst
ixpk= 3566, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=2483,2491,
&end
#
# 164 PHE QD 165 ARG H 4.55 (#peak 3568 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3568, nxpk= 0, iat= -1,2495, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=2483,2491,
&end
#
# 90 ARG H 92 PHE H 4.57 (#peak 3569 #SUP 0.60 #QF 0.60;)
&rst
ixpk= 3569, nxpk= 0, iat=1356,1396, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 138 TYR H 140 GLU H 5.01 (#peak 3570 #SUP 0.48 #QF 0.48;)
&rst
ixpk= 3570, nxpk= 0, iat=2079,2115, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 91 VAL H 92 PHE H 3.66 (#peak 3574 #SUP 0.97 #QF 0.96;)
&rst
ixpk= 3574, nxpk= 0, iat=1380,1396, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 92 PHE QD 92 PHE HZ 4.21 (#peak 3577 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 3577, nxpk= 0, iat= -1,1408, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1404,1412,
&end
#
# 99 TYR QE 138 TYR H 5.61 (#peak 3578 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 3578, nxpk= 0, iat= -1,2079, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1500,1505,
&end
#
# 8 GLN HE22 12 PHE HZ 4.24 (#peak 3579 #SUP 0.84 #QF 0.43;)
&rst
ixpk= 3579, nxpk= 0, iat= 119, 179, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 89 PHE H 92 PHE H 6.04 (#peak 3582 #SUP 0.99 #QF 0.54;)
&rst
ixpk= 3582, nxpk= 0, iat=1336,1396, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 89 PHE H 92 PHE QD 6.44 (#peak 3582 #SUP 0.99 #QF 0.54;)
&rst
ixpk= 3582, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr2=1404,1412,
&end
#
# 138 TYR H 138 TYR QD 3.64 (#peak 3584 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3584, nxpk= 0, iat=2079, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=2087,2096,
&end
#
# 12 PHE QD 12 PHE HZ 4.04 (#peak 3586 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 3586, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 175, 183,
&end
#
# 8 GLN HE21 12 PHE HZ 4.24 (#peak 3587 #SUP 0.44 #QF 0.44;)
&rst
ixpk= 3587, nxpk= 0, iat= 118, 179, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 141 PHE QD 142 VAL H 4.78 (#peak 3591 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3591, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=2138,2146,
&end
#
# 141 PHE H 141 PHE QD 4.40 (#peak 3593 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3593, nxpk= 0, iat=2130, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=2138,2146,
&end
#
# 12 PHE QD 68 PHE QE 4.64 (#peak 3599 #SUP 0.93 #QF 0.31;)
&rst
ixpk= 3599, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 175, 183,
igr2=1002,1006,
&end
#
# 13 LYS H 65 PHE QE 4.09 (#peak 3604 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 3604, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 953, 957,
&end
#
# 16 PHE H 65 PHE QE 4.43 (#peak 3605 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 3605, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 953, 957,
&end
#
# 11 GLU H 12 PHE QD 5.11 (#peak 3610 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3610, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 175, 183,
&end
#
# 12 PHE QD 15 ALA H 5.45 (#peak 3611 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 3611, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 175, 183,
&end
#
# 89 PHE QD 92 PHE QD 4.79 (#peak 3613 #SUP 0.94 #QF 0.91;)
&rst
ixpk= 3613, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1344,1352,
igr2=1404,1412,
&end
#
# 90 ARG H 91 VAL H 3.84 (#peak 3617 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 3617, nxpk= 0, iat=1356,1380, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 91 VAL H 93 ASP H 4.78 (#peak 3618 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3618, nxpk= 0, iat=1380,1416, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 89 PHE QD 141 PHE QD 5.28 (#peak 3619 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 3619, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1=1344,1352,
igr2=2138,2146,
&end
#
# 89 PHE H 89 PHE QD 3.70 (#peak 3621 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3621, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1344,1352,
&end
#
# 88 ALA H 89 PHE QD 4.77 (#peak 3622 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3622, nxpk= 0, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1344,1352,
&end
#
# 89 PHE QD 138 TYR QD 3.96 (#peak 3627 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 3627, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1344,1352,
igr2=2087,2096,
&end
#
# 86 ARG H 89 PHE QD 5.32 (#peak 3629 #SUP 0.87 #QF 0.83;)
&rst
ixpk= 3629, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1344,1352,
&end
#
# 87 GLU H 89 PHE QD 5.86 (#peak 3629 #SUP 0.87 #QF 0.83;)
&rst
ixpk= 3629, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=1344,1352,
&end
#
# 65 PHE HZ 68 PHE QE 5.71 (#peak 3630 #SUP 1.00;)
&rst
ixpk= 3630, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=1002,1006,
&end
#
# 16 PHE H 68 PHE QE 5.19 (#peak 3631 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 3631, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2=1002,1006,
&end
#
# 65 PHE QE 68 PHE QE 3.96 (#peak 3632 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3632, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 953, 957,
igr2=1002,1006,
&end
#
# 16 PHE QD 68 PHE QE 4.34 (#peak 3635 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 3635, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 242, 250,
igr2=1002,1006,
&end
#
# 107 HIS HD2 111 ASN HD21 4.69 (#peak 3640 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 3640, nxpk= 0, iat=1632,1692, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 89 PHE H 89 PHE QE 4.75 (#peak 3643 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3643, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1346,1350,
&end
#
# 12 PHE QD 68 PHE HZ 4.46 (#peak 3644 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 3644, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 175, 183,
&end
#
# 89 PHE QE 141 PHE QD 3.87 (#peak 3649 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 3649, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1346,1350,
igr2=2138,2146,
&end
#
# 107 HIS HD2 108 VAL H 4.90 (#peak 3650 #SUP 0.45 #QF 0.45;)
&rst
ixpk= 3650, nxpk= 0, iat=1632,1636, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 141 PHE QD 141 PHE HZ 4.05 (#peak 3655 #SUP 0.42 #QF 0.42;)
&rst
ixpk= 3655, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=2138,2146,
&end
#
# 65 PHE QE 68 PHE QD 4.23 (#peak 3663 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3663, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 953, 957,
igr2=1000,1008,
&end
#
# 65 PHE QD 68 PHE QD 3.46 (#peak 3666 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 3666, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 951, 959,
igr2=1000,1008,
&end
#
# 92 PHE QE 156 SER H 5.29 (#peak 3676 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 3676, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1406,1410,
&end
#
# 16 PHE QE 65 PHE H 4.44 (#peak 3679 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3679, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 244, 248,
&end
#
# 92 PHE QE 157 ALA H 4.14 (#peak 3680 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3680, nxpk= 0, iat= -1,2362, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1406,1410,
&end
#
# 16 PHE QE 68 PHE QE 5.49 (#peak 3687 #SUP 0.97 #QF 0.95;)
&rst
ixpk= 3687, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 244, 248,
igr2=1002,1006,
&end
#
# 89 PHE QD 92 PHE QE 6.05 (#peak 3687 #SUP 0.97 #QF 0.95;)
&rst
ixpk= 3687, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,
igr1=1344,1352,
igr2=1406,1410,
&end
#
# 16 PHE QE 26 THR HA 4.15 (#peak 3691 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 3691, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 244, 248,
&end
#
# 99 TYR QE 137 ASN HD22 4.71 (#peak 3706 #SUP 0.56 #QF 0.56;)
&rst
ixpk= 3706, nxpk= 0, iat= -1,2075, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1500,1505,
&end
#
# 99 TYR QE 137 ASN HD21 4.71 (#peak 3710 #SUP 0.53 #QF 0.53;)
&rst
ixpk= 3710, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1500,1505,
&end
#
# 98 GLY H 138 TYR QE 4.65 (#peak 3713 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 3713, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=2089,2094,
&end
#
# 89 PHE QD 138 TYR QE 4.89 (#peak 3718 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 3718, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1344,1352,
igr2=2089,2094,
&end
#
# 138 TYR QD 141 PHE QD 6.27 (#peak 3743 #SUP 0.50 #QF 0.50;)
&rst
ixpk= 3743, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1=2087,2096,
igr2=2138,2146,
&end
#
# 100 ILE H 138 TYR QD 4.27 (#peak 3744 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3744, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=2087,2096,
&end
#
# 89 PHE QE 138 TYR QD 4.85 (#peak 3749 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3749, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1346,1350,
igr2=2087,2096,
&end
#
# 16 PHE QD 65 PHE QE 4.51 (#peak 3756 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3756, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 242, 250,
igr2= 953, 957,
&end
#
# 16 PHE QD 68 PHE QD 3.99 (#peak 3762 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 3762, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 242, 250,
igr2=1000,1008,
&end
#
# 65 PHE H 65 PHE QD 4.00 (#peak 3764 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3764, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 951, 959,
&end
#
# 65 PHE QD 69 LEU H 5.38 (#peak 3765 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 3765, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 951, 959,
&end
#
# 16 PHE HZ 65 PHE QD 4.36 (#peak 3766 #SUP 0.99 #QF 0.53;)
&rst
ixpk= 3766, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 951, 959,
&end
#
# 65 PHE QD 68 PHE QE 4.77 (#peak 3768 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 3768, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 951, 959,
igr2=1002,1006,
&end
#
# 16 PHE QE 65 PHE QD 3.93 (#peak 3770 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 3770, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 244, 248,
igr2= 951, 959,
&end
#
# 16 PHE QD 65 PHE QD 4.11 (#peak 3771 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 3771, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 242, 250,
igr2= 951, 959,
&end
#
# 99 TYR HA 100 ILE H 3.60 (#peak 3783 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3783, nxpk= 0, iat=1492,1511, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 99 TYR HA 99 TYR QD 4.01 (#peak 3785 #SUP 0.99 #QF 0.95;)
&rst
ixpk= 3785, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1498,1507,
&end
#
# 99 TYR HA 138 TYR QE 4.41 (#peak 3785 #SUP 0.99 #QF 0.95;)
&rst
ixpk= 3785, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=2089,2094,
&end
#
# 64 ASP HA 65 PHE H 3.62 (#peak 3786 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3786, nxpk= 0, iat= 933, 943, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 27 ILE H 64 ASP HA 4.53 (#peak 3788 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3788, nxpk= 0, iat= 390, 933, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 99 TYR HA 99 TYR QE 5.13 (#peak 3790 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 3790, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1500,1505,
&end
#
# 99 TYR HA 138 TYR QD 4.20 (#peak 3791 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 3791, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2087,2096,
&end
#
# 16 PHE HZ 64 ASP HA 3.78 (#peak 3792 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3792, nxpk= 0, iat= 246, 933, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 16 PHE QE 64 ASP HA 4.33 (#peak 3793 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 3793, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 244, 248,
&end
#
# 26 THR HA 65 PHE H 4.69 (#peak 3795 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3795, nxpk= 0, iat= 378, 943, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 26 THR HA 27 ILE H 3.54 (#peak 3796 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3796, nxpk= 0, iat= 378, 390, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 16 PHE HZ 26 THR HA 3.62 (#peak 3798 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3798, nxpk= 0, iat= 246, 378, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 29 THR H 62 THR HA 3.96 (#peak 3801 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 3801, nxpk= 0, iat= 423, 900, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 27 ILE H 62 THR HA 5.63 (#peak 3802 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 3802, nxpk= 0, iat= 390, 900, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 28 THR HA 63 ILE H 4.23 (#peak 3805 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3805, nxpk= 0, iat= 411, 912, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 28 THR HA 29 THR H 3.22 (#peak 3806 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 3806, nxpk= 0, iat= 411, 423, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 28 THR HA 30 LYS H 4.76 (#peak 3807 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3807, nxpk= 0, iat= 411, 437, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 56 ASP HA 57 ALA H 3.15 (#peak 3810 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 3810, nxpk= 0, iat= 838, 848, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 20 ASP HA 22 ASP H 4.38 (#peak 3812 #SUP 0.58 #QF 0.58;)
&rst
ixpk= 3812, nxpk= 0, iat= 306, 338, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 93 ASP HA 138 TYR QE 5.62 (#peak 3814 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3814, nxpk= 0, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2=2089,2094,
&end
#
# 93 ASP HA 95 ASP H 4.44 (#peak 3815 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3815, nxpk= 0, iat=1418,1450, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 93 ASP HA 94 LYS H 3.24 (#peak 3816 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3816, nxpk= 0, iat=1418,1428, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 12 PHE HA 16 PHE H 4.87 (#peak 3818 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 3818, nxpk= 0, iat= 169, 234, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 12 PHE HA 12 PHE QD 3.11 (#peak 3819 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 3819, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 175, 183,
&end
#
# 12 PHE HA 15 ALA H 4.40 (#peak 3822 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 3822, nxpk= 0, iat= 169, 224, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 12 PHE HA 12 PHE QE 4.68 (#peak 3823 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 3823, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 177, 181,
&end
#
# 12 PHE HA 68 PHE QE 4.88 (#peak 3824 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 3824, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1002,1006,
&end
#
# 100 ILE HA 138 TYR QD 5.37 (#peak 3839 #SUP 0.35 #QF 0.35;)
&rst
ixpk= 3839, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=2087,2096,
&end
#
# 158 MET HA 160 ILE H 4.54 (#peak 3846 #SUP 0.67 #QF 0.67;)
&rst
ixpk= 3846, nxpk= 0, iat=2374,2405, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 178 PHE HA 178 PHE QD 4.75 (#peak 3862 #SUP 0.93 #QF 0.88;)
&rst
ixpk= 3862, nxpk= 0, iat=2731, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2737,2745,
&end
#
# 28 THR HB 29 THR H 3.52 (#peak 3865 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 3865, nxpk= 0, iat= 413, 423, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 28 THR HB 30 LYS H 3.83 (#peak 3866 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 3866, nxpk= 0, iat= 413, 437, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 4 LEU HA 12 PHE QE 6.00 (#peak 3874 #SUP 0.75 #QF 0.44;)
&rst
ixpk= 3874, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 177, 181,
&end
#
# 12 PHE QE 39 LEU HA 6.83 (#peak 3874 #SUP 0.75 #QF 0.44;)
&rst
ixpk= 3874, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
igr1= 177, 181,
&end
#
# 4 LEU HA 5 THR H 3.32 (#peak 3875 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 3875, nxpk= 0, iat= 45, 62, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 141 PHE HA 144 MET H 4.49 (#peak 3877 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 3877, nxpk= 0, iat=2132,2183, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 141 PHE HA 141 PHE QE 5.17 (#peak 3879 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 3879, nxpk= 0, iat=2132, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2140,2144,
&end
#
# 141 PHE HA 141 PHE QD 3.54 (#peak 3880 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 3880, nxpk= 0, iat=2132, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=2138,2146,
&end
#
# 167 HIS HA 170 GLN H 4.90 (#peak 3882 #SUP 0.47 #QF 0.47;)
&rst
ixpk= 3882, nxpk= 0, iat=2545,2598, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 167 HIS HA 167 HIS HD2 4.65 (#peak 3884 #SUP 0.69 #QF 0.69;)
&rst
ixpk= 3884, nxpk= 0, iat=2545,2556, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 110 THR HA 116 LEU H 4.19 (#peak 3885 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 3885, nxpk= 0, iat=1671,1760, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 92 PHE HA 92 PHE QD 3.17 (#peak 3889 #SUP 0.86 #QF 0.52;)
&rst
ixpk= 3889, nxpk= 0, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2=1404,1412,
&end
#
# 92 PHE HA 92 PHE QE 4.80 (#peak 3890 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 3890, nxpk= 0, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1406,1410,
&end
#
# 164 PHE HA 167 HIS H 4.40 (#peak 3894 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 3894, nxpk= 0, iat=2477,2543, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 164 PHE HA 164 PHE QD 3.54 (#peak 3895 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3895, nxpk= 0, iat=2477, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=2483,2491,
&end
#
# 164 PHE HA 167 HIS HD2 4.83 (#peak 3896 #SUP 0.69 #QF 0.69;)
&rst
ixpk= 3896, nxpk= 0, iat=2477,2556, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 164 PHE HA 164 PHE QE 4.77 (#peak 3898 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3898, nxpk= 0, iat=2477, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=2485,2489,
&end
#
# 81 SER HA 82 GLU H 3.48 (#peak 3899 #SUP 0.57 #QF 0.57;)
&rst
ixpk= 3899, nxpk= 0, iat=1214,1223, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 5 THR HA 6 GLU H 3.18 (#peak 3900 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3900, nxpk= 0, iat= 64, 76, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 38 SER HA 40 GLY H 4.92 (#peak 3904 #SUP 0.87 #QF 0.84;)
&rst
ixpk= 3904, nxpk= 0, iat= 573, 601, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 40 GLY H 41 GLN HA 5.53 (#peak 3904 #SUP 0.87 #QF 0.84;)
&rst
ixpk= 3904, nxpk= 0, iat= 601, 610, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 50 ASP HA 53 ASN H 4.17 (#peak 3906 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 3906, nxpk= 0, iat= 745, 791, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 50 ASP HA 53 ASN HD21 4.30 (#peak 3909 #SUP 1.00;)
&rst
ixpk= 3909, nxpk= 0, iat= 745, 800, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 50 ASP HA 54 GLU H 4.99 (#peak 3910 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 3910, nxpk= 0, iat= 745, 805, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 50 ASP HA 53 ASN HD22 4.30 (#peak 3912 #SUP 0.98 #QF 0.97;)
&rst
ixpk= 3912, nxpk= 0, iat= 745, 801, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 99 TYR QE 137 ASN HA 4.47 (#peak 3913 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 3913, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1500,1505,
&end
#
# 137 ASN HA 139 GLU H 4.66 (#peak 3915 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 3915, nxpk= 0, iat=2067,2100, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 137 ASN HA 138 TYR H 3.43 (#peak 3916 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3916, nxpk= 0, iat=2067,2079, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 99 TYR QD 137 ASN HA 4.15 (#peak 3917 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 3917, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1498,1507,
&end
#
# 137 ASN HA 138 TYR QD 4.55 (#peak 3918 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 3918, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=2087,2096,
&end
#
# 44 THR HA 45 GLU H 3.31 (#peak 3920 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3920, nxpk= 0, iat= 655, 667, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 53 ASN HA 56 ASP H 4.61 (#peak 3926 #SUP 0.93 #QF 0.64;)
&rst
ixpk= 3926, nxpk= 0, iat= 793, 836, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 152 SER HA 155 VAL H 4.74 (#peak 3928 #SUP 0.42 #QF 0.42;)
&rst
ixpk= 3928, nxpk= 0, iat=2296,2335, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 31 GLU HA 33 GLY H 5.11 (#peak 3930 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 3930, nxpk= 0, iat= 461, 493, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 3 GLN HA 4 LEU H 2.91 (#peak 3931 #SUP 0.76 #QF 0.76;)
&rst
ixpk= 3931, nxpk= 0, iat= 28, 43, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 54 GLU H 55 VAL HA 5.84 (#peak 3945 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 3945, nxpk= 0, iat= 805, 822, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 114 GLU HA 115 LYS H 3.26 (#peak 3948 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 3948, nxpk= 0, iat=1725,1738, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 172 SER HA 174 LYS H 4.62 (#peak 3949 #SUP 0.40 #QF 0.40;)
&rst
ixpk= 3949, nxpk= 0, iat=2641,2669, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 19 PHE HA 19 PHE QD 3.26 (#peak 3950 #SUP 0.85 #QF 0.77;)
&rst
ixpk= 3950, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 292, 300,
&end
#
# 19 PHE HA 21 LYS H 4.90 (#peak 3951 #SUP 0.46 #QF 0.46;)
&rst
ixpk= 3951, nxpk= 0, iat= 286, 316, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 147 ALA HA 148 LYS H 2.87 (#peak 3952 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 3952, nxpk= 0, iat=2233,2241, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 123 GLU HA 126 ARG H 4.29 (#peak 3958 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 3958, nxpk= 0, iat=1865,1914, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 15 ALA HA 18 LEU H 4.22 (#peak 3960 #SUP 0.96 #QF 0.94;)
&rst
ixpk= 3960, nxpk= 0, iat= 226, 265, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 109 MET HA 111 ASN H 4.63 (#peak 3960 #SUP 0.96 #QF 0.94;)
&rst
ixpk= 3960, nxpk= 0, iat=1654,1683, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 69 LEU H 70 THR HB 5.29 (#peak 3963 #SUP 0.33 #QF 0.33;)
&rst
ixpk= 3963, nxpk= 0, iat=1012,1035, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 76 MET HA 77 LYS H 3.38 (#peak 3965 #SUP 0.90 #QF 0.68;)
&rst
ixpk= 3965, nxpk= 0, iat=1137,1152, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 79 THR HA 80 ASP H 3.32 (#peak 3967 #SUP 0.72 #QF 0.72;)
&rst
ixpk= 3967, nxpk= 0, iat=1188,1200, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 118 ASP HA 122 ASP H 4.49 (#peak 3969 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 3969, nxpk= 0, iat=1795,1851, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 77 LYS HA 78 ASP H 3.19 (#peak 3970 #SUP 0.62 #QF 0.62;)
&rst
ixpk= 3970, nxpk= 0, iat=1154,1174, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 15 ALA HA 17 SER H 5.25 (#peak 3971 #SUP 0.99 #QF 0.37;)
&rst
ixpk= 3971, nxpk= 0, iat= 226, 254, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 118 ASP HA 121 VAL H 4.67 (#peak 3972 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 3972, nxpk= 0, iat=1795,1835, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 70 THR H 70 THR HB 3.52 (#peak 3974 #SUP 0.89 #QF 0.71;)
&rst
ixpk= 3974, nxpk= 0, iat=1031,1035, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 70 THR HB 71 MET H 3.84 (#peak 3974 #SUP 0.89 #QF 0.71;)
&rst
ixpk= 3974, nxpk= 0, iat=1035,1045, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 16 PHE QE 25 GLY HA3 4.35 (#peak 3978 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 3978, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 244, 248,
&end
#
# 16 PHE H 17 SER HA 5.59 (#peak 3980 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 3980, nxpk= 0, iat= 234, 256, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 17 SER HA 19 PHE H 4.46 (#peak 3982 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 3982, nxpk= 0, iat= 256, 284, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 38 SER HB3 39 LEU H 4.65 (#peak 3983 #SUP 0.98 #QF 0.96;)
&rst
ixpk= 3983, nxpk= 0, iat= 576, 582, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 17 SER HA 20 ASP H 3.91 (#peak 3984 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 3984, nxpk= 0, iat= 256, 304, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 16 PHE QD 17 SER HA 4.12 (#peak 3985 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 3985, nxpk= 0, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 242, 250,
&end
#
# 29 THR H 29 THR HB 4.33 (#peak 3988 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 3988, nxpk= 0, iat= 423, 427, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 38 SER H 38 SER HB3 3.75 (#peak 3989 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 3989, nxpk= 0, iat= 571, 576, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 29 THR HB 30 LYS H 4.57 (#peak 3990 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 3990, nxpk= 0, iat= 427, 437, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 79 THR H 79 THR HB 3.89 (#peak 3993 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 3993, nxpk= 0, iat=1186,1190, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 104 GLU HA 108 VAL H 4.60 (#peak 3995 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 3995, nxpk= 0, iat=1563,1636, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 103 ALA H 104 GLU HA 5.48 (#peak 3997 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 3997, nxpk= 0, iat=1551,1563, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 104 GLU HA 107 HIS H 3.99 (#peak 3999 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 3999, nxpk= 0, iat=1563,1619, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 81 SER HB3 82 GLU H 4.33 (#peak 4006 #SUP 0.61 #QF 0.61;)
&rst
ixpk= 4006, nxpk= 0, iat=1217,1223, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 29 THR H 30 LYS HA 6.30 (#peak 4023 #SUP 0.95 #QF 0.86;)
&rst
ixpk= 4023, nxpk= 0, iat= 423, 439, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 136 VAL HA 137 ASN H 3.49 (#peak 4026 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 4026, nxpk= 0, iat=2051,2065, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 10 ALA HA 65 PHE HZ 5.16 (#peak 4029 #SUP 0.86 #QF 0.40;)
&rst
ixpk= 4029, nxpk= 0, iat= 144, 955, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 30 LYS HA 32 LEU H 5.34 (#peak 4029 #SUP 0.86 #QF 0.40;)
&rst
ixpk= 4029, nxpk= 0, iat= 439, 474, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 10 ALA HA 13 LYS H 4.42 (#peak 4030 #SUP 0.98 #QF 0.93;)
&rst
ixpk= 4030, nxpk= 0, iat= 144, 187, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 11 GLU HA 13 LYS H 4.79 (#peak 4030 #SUP 0.98 #QF 0.93;)
&rst
ixpk= 4030, nxpk= 0, iat= 154, 187, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 94 LYS HA 96 GLY H 4.92 (#peak 4032 #SUP 0.36 #QF 0.36;)
&rst
ixpk= 4032, nxpk= 0, iat=1430,1462, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 11 GLU HA 14 GLU H 4.13 (#peak 4034 #SUP 0.75 #QF 0.38;)
&rst
ixpk= 4034, nxpk= 0, iat= 154, 209, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 120 GLU HA 164 PHE QD 4.89 (#peak 4036 #SUP 0.37 #QF 0.37;)
&rst
ixpk= 4036, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2483,2491,
&end
#
# 120 GLU HA 124 MET H 4.83 (#peak 4044 #SUP 0.73 #QF 0.73;)
&rst
ixpk= 4044, nxpk= 0, iat=1822,1878, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 119 GLU HA 123 GLU H 4.75 (#peak 4046 #SUP 0.91 #QF 0.36;)
&rst
ixpk= 4046, nxpk= 0, iat=1807,1863, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 120 GLU HA 123 GLU H 4.88 (#peak 4046 #SUP 0.91 #QF 0.36;)
&rst
ixpk= 4046, nxpk= 0, iat=1822,1863, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 120 GLU HA 164 PHE QE 3.60 (#peak 4048 #SUP 0.98 #QF 0.52;)
&rst
ixpk= 4048, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2485,2489,
&end
#
# 144 MET HA 147 ALA H 4.69 (#peak 4049 #SUP 0.82 #QF 0.77;)
&rst
ixpk= 4049, nxpk= 0, iat=2185,2231, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 27 ILE H 62 THR HB 4.73 (#peak 4050 #SUP 0.78 #QF 0.44;)
&rst
ixpk= 4050, nxpk= 0, iat= 390, 902, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 166 ARG HA 168 LEU H 5.04 (#peak 4050 #SUP 0.78 #QF 0.44;)
&rst
ixpk= 4050, nxpk= 0, iat=2521,2560, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 46 ALA HA 50 ASP H 3.97 (#peak 4057 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 4057, nxpk= 0, iat= 684, 743, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 162 ARG HA 164 PHE H 4.99 (#peak 4059 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 4059, nxpk= 0, iat=2443,2475, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 162 ARG HA 165 ARG H 4.61 (#peak 4060 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 4060, nxpk= 0, iat=2443,2495, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 88 ALA HA 91 VAL H 4.34 (#peak 4064 #SUP 0.60 #QF 0.60;)
&rst
ixpk= 4064, nxpk= 0, iat=1328,1380, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 21 LYS HA 23 GLY H 4.20 (#peak 4067 #SUP 0.48 #QF 0.48;)
&rst
ixpk= 4067, nxpk= 0, iat= 318, 350, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 68 PHE HA 68 PHE QD 3.38 (#peak 4068 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 4068, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1000,1008,
&end
#
# 16 PHE QE 68 PHE HA 5.88 (#peak 4069 #SUP 0.96 #QF 0.26;)
&rst
ixpk= 4069, nxpk= 0, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 244, 248,
&end
#
# 88 ALA HA 92 PHE QE 6.12 (#peak 4069 #SUP 0.96 #QF 0.26;)
&rst
ixpk= 4069, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr2=1406,1410,
&end
#
# 74 ARG HA 74 ARG HE 6.83 (#peak 4074 #SUP 1.00 #QF 0.90;)
&rst
ixpk= 4074, nxpk= 0, iat=1091,1102, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, &end
#
# 26 THR HB 63 ILE H 4.48 (#peak 4075 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 4075, nxpk= 0, iat= 380, 912, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 17 SER H 17 SER QB 3.28 (#peak 4077 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 4077, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 258, 259,
&end
#
# 17 SER QB 19 PHE H 5.31 (#peak 4078 #SUP 0.99 #QF 0.90;)
&rst
ixpk= 4078, nxpk= 0, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 258, 259,
&end
#
# 16 PHE HZ 26 THR HB 5.65 (#peak 4078 #SUP 0.99 #QF 0.90;)
&rst
ixpk= 4078, nxpk= 0, iat= 246, 380, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 16 PHE QD 17 SER QB 4.69 (#peak 4079 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4079, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 242, 250,
igr2= 258, 259,
&end
#
# 26 THR HB 27 ILE H 3.55 (#peak 4081 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 4081, nxpk= 0, iat= 380, 390, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 17 SER QB 18 LEU H 3.99 (#peak 4082 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 4082, nxpk= 0, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 258, 259,
&end
#
# 14 GLU HA 16 PHE H 5.19 (#peak 4088 #SUP 0.92 #QF 0.72;)
&rst
ixpk= 4088, nxpk= 0, iat= 211, 234, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 16 PHE H 17 SER QB 5.49 (#peak 4088 #SUP 0.92 #QF 0.72;)
&rst
ixpk= 4088, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 258, 259,
&end
#
# 51 MET HA 55 VAL H 5.02 (#peak 4093 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 4093, nxpk= 0, iat= 757, 820, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 152 SER HB3 153 GLU H 4.94 (#peak 4094 #SUP 0.56 #QF 0.56;)
&rst
ixpk= 4094, nxpk= 0, iat=2299,2305, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 152 SER H 152 SER HB3 4.19 (#peak 4095 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 4095, nxpk= 0, iat=2294,2299, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 171 ARG HA 172 SER H 3.72 (#peak 4101 #SUP 0.66 #QF 0.66;)
&rst
ixpk= 4101, nxpk= 0, iat=2617,2639, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 4 LEU H 73 ALA HA 4.97 (#peak 4106 #SUP 0.63 #QF 0.63;)
&rst
ixpk= 4106, nxpk= 0, iat= 43,1081, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 140 GLU HA 143 GLN H 4.21 (#peak 4108 #SUP 0.74 #QF 0.74;)
&rst
ixpk= 4108, nxpk= 0, iat=2117,2166, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 170 GLN HA 173 LEU H 4.54 (#peak 4117 #SUP 0.33 #QF 0.33;)
&rst
ixpk= 4117, nxpk= 0, iat=2600,2650, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 34 THR H 34 THR HB 3.38 (#peak 4118 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 4118, nxpk= 0, iat= 500, 504, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 19 PHE QD 34 THR HB 4.22 (#peak 4119 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 4119, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 292, 300,
&end
#
# 19 PHE QE 34 THR HB 4.01 (#peak 4120 #SUP 0.95 #QF 0.53;)
&rst
ixpk= 4120, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 294, 298,
&end
#
# 128 ALA HA 141 PHE QD 4.42 (#peak 4120 #SUP 0.95 #QF 0.53;)
&rst
ixpk= 4120, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2138,2146,
&end
#
# 170 GLN HA 170 GLN HE22 4.80 (#peak 4121 #SUP 0.68 #QF 0.68;)
&rst
ixpk= 4121, nxpk= 0, iat=2600,2611, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 138 TYR QD 139 GLU HA 3.63 (#peak 4122 #SUP 0.57 #QF 0.57;)
&rst
ixpk= 4122, nxpk= 0, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=2087,2096,
&end
#
# 81 SER HB2 82 GLU H 4.33 (#peak 4123 #SUP 0.61 #QF 0.61;)
&rst
ixpk= 4123, nxpk= 0, iat=1216,1223, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 138 TYR HA 142 VAL H 4.86 (#peak 4125 #SUP 0.96 #QF 0.95;)
&rst
ixpk= 4125, nxpk= 0, iat=2081,2150, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 170 GLN HA 170 GLN HE21 4.80 (#peak 4128 #SUP 0.97 #QF 0.95;)
&rst
ixpk= 4128, nxpk= 0, iat=2600,2610, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 128 ALA HA 141 PHE QE 5.00 (#peak 4129 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 4129, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2140,2144,
&end
#
# 86 ARG HA 89 PHE QE 4.70 (#peak 4131 #SUP 0.94 #QF 0.89;)
&rst
ixpk= 4131, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1346,1350,
&end
#
# 86 ARG HA 89 PHE QD 3.68 (#peak 4132 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 4132, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1344,1352,
&end
#
# 138 TYR QE 139 GLU HA 4.29 (#peak 4133 #SUP 0.50 #QF 0.50;)
&rst
ixpk= 4133, nxpk= 0, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=2089,2094,
&end
#
# 156 SER H 156 SER QB 3.62 (#peak 4135 #SUP 0.95 #QF 0.91;)
&rst
ixpk= 4135, nxpk= 0, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=2355,2356,
&end
#
# 156 SER QB 157 ALA H 4.18 (#peak 4136 #SUP 0.98 #QF 0.78;)
&rst
ixpk= 4136, nxpk= 0, iat= -1,2362, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=2355,2356,
&end
#
# 92 PHE QE 156 SER QB 4.18 (#peak 4137 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 4137, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1406,1410,
igr2=2355,2356,
&end
#
# 113 GLY H 154 GLU HA 4.70 (#peak 4138 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 4138, nxpk= 0, iat=1716,2322, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 172 SER QB 174 LYS H 4.14 (#peak 4141 #SUP 0.97 #QF 0.96;)
&rst
ixpk= 4141, nxpk= 0, iat= -1,2669, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=2643,2644,
&end
#
# 87 GLU HA 91 VAL H 4.90 (#peak 4148 #SUP 0.47 #QF 0.47;)
&rst
ixpk= 4148, nxpk= 0, iat=1313,1380, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 71 MET HA 74 ARG H 4.39 (#peak 4151 #SUP 0.71 #QF 0.71;)
&rst
ixpk= 4151, nxpk= 0, iat=1047,1089, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 92 PHE HZ 156 SER QB 4.25 (#peak 4156 #SUP 0.62 #QF 0.42;)
&rst
ixpk= 4156, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=2355,2356,
&end
#
# 6 GLU HA 9 ILE H 4.36 (#peak 4157 #SUP 0.96 #QF 0.87;)
&rst
ixpk= 4157, nxpk= 0, iat= 78, 123, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 49 GLN HA 52 ILE H 3.95 (#peak 4167 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4167, nxpk= 0, iat= 728, 772, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 152 SER H 152 SER HB2 4.19 (#peak 4169 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 4169, nxpk= 0, iat=2294,2298, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 66 PRO HA 69 LEU H 4.34 (#peak 4174 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 4174, nxpk= 0, iat= 973,1012, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 89 PHE HA 92 PHE QD 3.42 (#peak 4176 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 4176, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1404,1412,
&end
#
# 65 PHE QE 66 PRO HD3 6.27 (#peak 4177 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 4177, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 953, 957,
&end
#
# 89 PHE HA 89 PHE QD 3.35 (#peak 4178 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 4178, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1344,1352,
&end
#
# 89 PHE HA 89 PHE QE 4.91 (#peak 4179 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 4179, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1346,1350,
&end
#
# 89 PHE HA 138 TYR QD 5.49 (#peak 4180 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 4180, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=2087,2096,
&end
#
# 16 PHE QE 25 GLY HA2 4.35 (#peak 4182 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 4182, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 244, 248,
&end
#
# 90 ARG HA 138 TYR QE 4.73 (#peak 4186 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 4186, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=2089,2094,
&end
#
# 65 PHE QD 66 PRO HD3 4.15 (#peak 4187 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 4187, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 951, 959,
&end
#
# 65 PHE H 66 PRO HD3 3.98 (#peak 4188 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 4188, nxpk= 0, iat= 943, 965, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 105 LEU HA 108 VAL H 4.78 (#peak 4195 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 4195, nxpk= 0, iat=1578,1636, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 115 LYS HA 116 LEU H 3.37 (#peak 4203 #SUP 0.73 #QF 0.73;)
&rst
ixpk= 4203, nxpk= 0, iat=1740,1760, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 65 PHE H 66 PRO HD2 3.57 (#peak 4209 #SUP 1.00;)
&rst
ixpk= 4209, nxpk= 0, iat= 943, 964, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 16 PHE HZ 65 PHE HA 4.34 (#peak 4211 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 4211, nxpk= 0, iat= 246, 945, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 65 PHE HA 68 PHE QD 4.17 (#peak 4212 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 4212, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1000,1008,
&end
#
# 16 PHE QD 65 PHE HA 5.00 (#peak 4213 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 4213, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 242, 250,
&end
#
# 65 PHE HA 65 PHE QD 3.17 (#peak 4214 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 4214, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 951, 959,
&end
#
# 66 PRO HD2 67 GLU H 4.23 (#peak 4215 #SUP 1.00 #QF 0.92;)
&rst
ixpk= 4215, nxpk= 0, iat= 964, 977, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 65 PHE HA 65 PHE QE 4.38 (#peak 4217 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 4217, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 953, 957,
&end
#
# 70 THR HA 74 ARG H 4.88 (#peak 4219 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 4219, nxpk= 0, iat=1033,1089, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 70 THR HA 73 ALA H 4.25 (#peak 4222 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 4222, nxpk= 0, iat=1033,1079, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 177 SER QB 178 PHE H 4.70 (#peak 4226 #SUP 0.66 #QF 0.23;)
&rst
ixpk= 4226, nxpk= 0, iat= -1,2729, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=2722,2723,
&end
#
# 32 LEU HA 36 MET H 5.12 (#peak 4228 #SUP 0.96 #QF 0.61;)
&rst
ixpk= 4228, nxpk= 0, iat= 476, 530, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 34 THR HA 36 MET H 5.44 (#peak 4228 #SUP 0.96 #QF 0.61;)
&rst
ixpk= 4228, nxpk= 0, iat= 502, 530, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 32 LEU HA 35 VAL H 4.21 (#peak 4229 #SUP 0.98 #QF 0.56;)
&rst
ixpk= 4229, nxpk= 0, iat= 476, 514, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 177 SER H 177 SER QB 3.98 (#peak 4232 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 4232, nxpk= 0, iat=2718, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=2722,2723,
&end
#
# 8 GLN HA 12 PHE QE 5.67 (#peak 4235 #SUP 0.88 #QF 0.73;)
&rst
ixpk= 4235, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 177, 181,
&end
#
# 161 GLN HA 165 ARG H 4.90 (#peak 4236 #SUP 0.29 #QF 0.29;)
&rst
ixpk= 4236, nxpk= 0, iat=2426,2495, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 8 GLN HA 11 GLU H 3.93 (#peak 4238 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 4238, nxpk= 0, iat= 108, 152, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 16 PHE HA 19 PHE QD 4.37 (#peak 4242 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 4242, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 292, 300,
&end
#
# 16 PHE HA 16 PHE QD 3.58 (#peak 4243 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 4243, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 242, 250,
&end
#
# 13 LYS HA 17 SER H 4.55 (#peak 4245 #SUP 1.00 #QF 0.34;)
&rst
ixpk= 4245, nxpk= 0, iat= 189, 254, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 16 PHE HA 68 PHE QD 5.95 (#peak 4247 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 4247, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2=1000,1008,
&end
#
# 16 PHE HA 16 PHE QE 5.29 (#peak 4248 #SUP 0.94 #QF 0.88;)
&rst
ixpk= 4248, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 244, 248,
&end
#
# 92 PHE QE 156 SER HA 5.78 (#peak 4248 #SUP 0.94 #QF 0.88;)
&rst
ixpk= 4248, nxpk= 0, iat= -1,2353, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1406,1410,
&end
#
# 12 PHE HB2 13 LYS H 4.08 (#peak 4249 #SUP 0.96 #QF 0.37;)
&rst
ixpk= 4249, nxpk= 0, iat= 171, 187, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 121 VAL HA 124 MET H 4.24 (#peak 4251 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 4251, nxpk= 0, iat=1837,1878, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 13 LYS HA 65 PHE HZ 3.65 (#peak 4255 #SUP 0.98 #QF 0.28;)
&rst
ixpk= 4255, nxpk= 0, iat= 189, 955, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 13 LYS HA 65 PHE QE 3.81 (#peak 4256 #SUP 0.98 #QF 0.37;)
&rst
ixpk= 4256, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 953, 957,
&end
#
# 13 LYS HA 65 PHE QD 4.69 (#peak 4257 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 4257, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 951, 959,
&end
#
# 156 SER HA 159 VAL H 5.03 (#peak 4258 #SUP 0.95 #QF 0.35;)
&rst
ixpk= 4258, nxpk= 0, iat=2353,2389, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 155 VAL HA 158 MET H 3.99 (#peak 4259 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 4259, nxpk= 0, iat=2337,2372, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 153 GLU HA 156 SER H 4.65 (#peak 4268 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 4268, nxpk= 0, iat=2307,2351, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 92 PHE HZ 153 GLU HA 4.14 (#peak 4269 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4269, nxpk= 0, iat=1408,2307, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 12 PHE HB2 68 PHE QE 4.39 (#peak 4270 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 4270, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1002,1006,
&end
#
# 92 PHE QE 153 GLU HA 4.17 (#peak 4271 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 4271, nxpk= 0, iat= -1,2307, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1406,1410,
&end
#
# 153 GLU HA 157 ALA H 4.97 (#peak 4273 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 4273, nxpk= 0, iat=2307,2362, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 12 PHE HB2 65 PHE HZ 4.64 (#peak 4274 #SUP 0.76 #QF 0.76;)
&rst
ixpk= 4274, nxpk= 0, iat= 171, 955, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 124 MET HA 164 PHE QE 4.01 (#peak 4277 #SUP 0.99 #QF 0.33;)
&rst
ixpk= 4277, nxpk= 0, iat=1880, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=2485,2489,
&end
#
# 124 MET HA 164 PHE HZ 3.78 (#peak 4278 #SUP 0.72 #QF 0.72;)
&rst
ixpk= 4278, nxpk= 0, iat=1880,2487, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 92 PHE QD 153 GLU HA 4.76 (#peak 4279 #SUP 0.51 #QF 0.51;)
&rst
ixpk= 4279, nxpk= 0, iat= -1,2307, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1404,1412,
&end
#
# 42 ASN H 43 PRO HD3 4.97 (#peak 4280 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 4280, nxpk= 0, iat= 625, 641, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 92 PHE QE 157 ALA HA 4.05 (#peak 4284 #SUP 1.00;)
&rst
ixpk= 4284, nxpk= 0, iat= -1,2364, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1406,1410,
&end
#
# 92 PHE HZ 157 ALA HA 4.40 (#peak 4287 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 4287, nxpk= 0, iat=1408,2364, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 164 PHE QD 167 HIS HB3 4.98 (#peak 4288 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 4288, nxpk= 0, iat= -1,2548, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=2483,2491,
&end
#
# 92 PHE QD 157 ALA HA 5.27 (#peak 4289 #SUP 1.00;)
&rst
ixpk= 4289, nxpk= 0, iat= -1,2364, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1404,1412,
&end
#
# 106 ARG HA 109 MET H 4.88 (#peak 4291 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 4291, nxpk= 0, iat=1597,1652, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 167 HIS HD2 168 LEU HA 4.82 (#peak 4294 #SUP 0.70 #QF 0.49;)
&rst
ixpk= 4294, nxpk= 0, iat=2556,2562, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 168 LEU HA 171 ARG H 4.53 (#peak 4296 #SUP 0.45 #QF 0.45;)
&rst
ixpk= 4296, nxpk= 0, iat=2562,2615, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 159 VAL HA 162 ARG H 4.92 (#peak 4298 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 4298, nxpk= 0, iat=2391,2441, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 107 HIS H 108 VAL HA 5.48 (#peak 4308 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 4308, nxpk= 0, iat=1619,1638, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 52 ILE HA 55 VAL H 4.27 (#peak 4309 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 4309, nxpk= 0, iat= 774, 820, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 92 PHE HB3 93 ASP H 4.77 (#peak 4311 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 4311, nxpk= 0, iat=1401,1416, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 12 PHE HB3 68 PHE HZ 3.89 (#peak 4313 #SUP 0.71 #QF 0.71;)
&rst
ixpk= 4313, nxpk= 0, iat= 172,1004, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 12 PHE HB3 13 LYS H 4.35 (#peak 4318 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4318, nxpk= 0, iat= 172, 187, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 12 PHE HB3 65 PHE HZ 4.70 (#peak 4320 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 4320, nxpk= 0, iat= 172, 955, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 12 PHE HB3 68 PHE QE 3.79 (#peak 4322 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4322, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1002,1006,
&end
#
# 12 PHE HB3 68 PHE QD 4.92 (#peak 4325 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 4325, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1000,1008,
&end
#
# 9 ILE HA 65 PHE HZ 4.85 (#peak 4326 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 4326, nxpk= 0, iat= 125, 955, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 9 ILE HA 13 LYS H 4.68 (#peak 4329 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 4329, nxpk= 0, iat= 125, 187, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 9 ILE HA 12 PHE H 4.28 (#peak 4330 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 4330, nxpk= 0, iat= 125, 167, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 9 ILE HA 12 PHE QD 3.72 (#peak 4334 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 4334, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 175, 183,
&end
#
# 9 ILE HA 12 PHE QE 4.86 (#peak 4335 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 4335, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 177, 181,
&end
#
# 107 HIS HB3 108 VAL H 4.21 (#peak 4336 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 4336, nxpk= 0, iat=1624,1636, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 167 HIS H 167 HIS HB2 3.87 (#peak 4341 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 4341, nxpk= 0, iat=2543,2547, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 164 PHE QD 167 HIS HB2 4.98 (#peak 4344 #SUP 0.70 #QF 0.70;)
&rst
ixpk= 4344, nxpk= 0, iat= -1,2547, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=2483,2491,
&end
#
# 35 VAL HA 38 SER H 4.21 (#peak 4345 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4345, nxpk= 0, iat= 516, 571, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 19 PHE QD 35 VAL HA 3.89 (#peak 4347 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 4347, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 292, 300,
&end
#
# 19 PHE QE 35 VAL HA 4.86 (#peak 4348 #SUP 1.00 #QF 0.97;)
&rst
ixpk= 4348, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 294, 298,
&end
#
# 69 LEU HA 72 MET H 4.34 (#peak 4350 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 4350, nxpk= 0, iat=1014,1062, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 69 LEU HA 73 ALA H 4.60 (#peak 4351 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4351, nxpk= 0, iat=1014,1079, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 69 LEU HA 71 MET H 5.21 (#peak 4352 #SUP 0.89 #QF 0.80;)
&rst
ixpk= 4352, nxpk= 0, iat=1014,1045, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 12 PHE QD 69 LEU HA 5.28 (#peak 4353 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 4353, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 175, 183,
&end
#
# 68 PHE QD 69 LEU HA 4.32 (#peak 4354 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 4354, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1000,1008,
&end
#
# 160 ILE HA 163 ALA H 4.32 (#peak 4360 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 4360, nxpk= 0, iat=2407,2465, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 68 PHE QE 69 LEU HA 4.73 (#peak 4361 #SUP 0.64 #QF 0.47;)
&rst
ixpk= 4361, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1002,1006,
&end
#
# 89 PHE QE 142 VAL HA 4.28 (#peak 4364 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4364, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1346,1350,
&end
#
# 141 PHE HB3 142 VAL H 4.62 (#peak 4365 #SUP 0.97 #QF 0.55;)
&rst
ixpk= 4365, nxpk= 0, iat=2135,2150, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 142 VAL HA 145 MET H 4.54 (#peak 4366 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 4366, nxpk= 0, iat=2152,2200, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 93 ASP HB3 138 TYR QE 4.89 (#peak 4373 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 4373, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2089,2094,
&end
#
# 68 PHE H 68 PHE HB2 3.66 (#peak 4384 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 4384, nxpk= 0, iat= 992, 996, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 64 ASP HB3 67 GLU H 5.12 (#peak 4386 #SUP 0.85 #QF 0.80;)
&rst
ixpk= 4386, nxpk= 0, iat= 936, 977, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 16 PHE QE 68 PHE HB2 4.09 (#peak 4387 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 4387, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 244, 248,
&end
#
# 64 ASP HB3 65 PHE H 4.08 (#peak 4388 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 4388, nxpk= 0, iat= 936, 943, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 16 PHE HB2 65 PHE QD 4.48 (#peak 4390 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 4390, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 951, 959,
&end
#
# 19 PHE H 19 PHE HB3 4.01 (#peak 4392 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 4392, nxpk= 0, iat= 284, 289, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 16 PHE HB2 65 PHE QE 4.29 (#peak 4393 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 4393, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 953, 957,
&end
#
# 64 ASP H 64 ASP HB3 4.30 (#peak 4394 #SUP 0.51 #QF 0.51;)
&rst
ixpk= 4394, nxpk= 0, iat= 931, 936, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 16 PHE HB2 68 PHE QE 4.85 (#peak 4397 #SUP 0.94 #QF 0.82;)
&rst
ixpk= 4397, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1002,1006,
&end
#
# 107 HIS HB2 108 VAL H 4.21 (#peak 4398 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 4398, nxpk= 0, iat=1623,1636, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 107 HIS H 107 HIS HB2 3.73 (#peak 4399 #SUP 0.76 #QF 0.76;)
&rst
ixpk= 4399, nxpk= 0, iat=1619,1623, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 16 PHE HB2 68 PHE HZ 5.15 (#peak 4400 #SUP 0.51 #QF 0.51;)
&rst
ixpk= 4400, nxpk= 0, iat= 238,1004, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 74 ARG H 74 ARG QD 4.61 (#peak 4401 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 4401, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1099,1100,
&end
#
# 137 ASN HB3 138 TYR H 5.08 (#peak 4405 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 4405, nxpk= 0, iat=2070,2079, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 16 PHE QD 68 PHE HB3 4.89 (#peak 4406 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 4406, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 242, 250,
&end
#
# 137 ASN H 137 ASN HB3 4.11 (#peak 4409 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 4409, nxpk= 0, iat=2065,2070, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 68 PHE H 68 PHE HB3 3.71 (#peak 4410 #SUP 0.91 #QF 0.76;)
&rst
ixpk= 4410, nxpk= 0, iat= 992, 997, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 16 PHE QE 68 PHE HB3 3.95 (#peak 4412 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 4412, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 244, 248,
&end
#
# 99 TYR QE 137 ASN HB3 4.33 (#peak 4413 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 4413, nxpk= 0, iat= -1,2070, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1500,1505,
&end
#
# 65 PHE QD 68 PHE HB3 4.82 (#peak 4414 #SUP 0.71 #QF 0.71;)
&rst
ixpk= 4414, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 951, 959,
&end
#
# 65 PHE H 65 PHE HB3 3.90 (#peak 4433 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 4433, nxpk= 0, iat= 943, 948, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 53 ASN H 53 ASN HB3 3.98 (#peak 4434 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 4434, nxpk= 0, iat= 791, 796, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 129 ASP HB3 130 ILE H 4.86 (#peak 4437 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 4437, nxpk= 0, iat=1968,1975, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 16 PHE QE 65 PHE HB3 6.06 (#peak 4440 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 4440, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 244, 248,
&end
#
# 53 ASN HB3 54 GLU H 4.41 (#peak 4441 #SUP 0.97 #QF 0.51;)
&rst
ixpk= 4441, nxpk= 0, iat= 796, 805, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 122 ASP H 122 ASP HB3 3.76 (#peak 4445 #SUP 1.00;)
&rst
ixpk= 4445, nxpk= 0, iat=1851,1856, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 16 PHE HB3 65 PHE QD 4.24 (#peak 4447 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 4447, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 951, 959,
&end
#
# 16 PHE H 16 PHE HB3 3.55 (#peak 4448 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 4448, nxpk= 0, iat= 234, 239, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 16 PHE HB3 17 SER H 4.12 (#peak 4449 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 4449, nxpk= 0, iat= 239, 254, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 16 PHE HB3 65 PHE QE 4.18 (#peak 4450 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 4450, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 953, 957,
&end
#
# 60 ASN QB 60 ASN HD21 4.02 (#peak 4452 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 4452, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 881, 882,
&end
#
# 60 ASN QB 60 ASN HD22 4.02 (#peak 4454 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 4454, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 881, 882,
&end
#
# 16 PHE HB3 68 PHE QD 5.21 (#peak 4455 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4455, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1000,1008,
&end
#
# 97 ASN HB3 99 TYR H 4.67 (#peak 4462 #SUP 0.63 #QF 0.33;)
&rst
ixpk= 4462, nxpk= 0, iat=1474,1490, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 16 PHE QD 20 ASP HB3 4.73 (#peak 4466 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 4466, nxpk= 0, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 242, 250,
&end
#
# 51 MET H 51 MET HG3 4.16 (#peak 4476 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 4476, nxpk= 0, iat= 755, 763, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 94 LYS H 95 ASP QB 4.99 (#peak 4485 #SUP 0.36 #QF 0.36;)
&rst
ixpk= 4485, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1454,1455,
&end
#
# 64 ASP HB2 67 GLU H 5.12 (#peak 4488 #SUP 0.33 #QF 0.33;)
&rst
ixpk= 4488, nxpk= 0, iat= 935, 977, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 50 ASP H 50 ASP HB3 3.48 (#peak 4490 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 4490, nxpk= 0, iat= 743, 748, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 78 ASP H 78 ASP HB3 4.14 (#peak 4491 #SUP 0.65 #QF 0.65;)
&rst
ixpk= 4491, nxpk= 0, iat=1174,1179, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 78 ASP HB3 79 THR H 4.60 (#peak 4495 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 4495, nxpk= 0, iat=1179,1186, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 36 MET H 36 MET HG3 3.69 (#peak 4502 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 4502, nxpk= 0, iat= 530, 538, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 58 ASP HB3 59 GLY H 4.66 (#peak 4504 #SUP 0.81 #QF 0.75;)
&rst
ixpk= 4504, nxpk= 0, iat= 863, 870, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 144 MET H 144 MET HG3 4.80 (#peak 4509 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 4509, nxpk= 0, iat=2183,2191, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 92 PHE HB2 93 ASP H 4.77 (#peak 4510 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 4510, nxpk= 0, iat=1400,1416, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 99 TYR HB3 100 ILE H 4.33 (#peak 4516 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 4516, nxpk= 0, iat=1495,1511, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 50 ASP H 50 ASP HB2 3.48 (#peak 4518 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 4518, nxpk= 0, iat= 743, 747, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 118 ASP H 118 ASP HB3 3.93 (#peak 4520 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 4520, nxpk= 0, iat=1793,1798, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 120 GLU HB3 121 VAL H 4.59 (#peak 4522 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 4522, nxpk= 0, iat=1825,1835, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 76 MET H 76 MET HG3 4.02 (#peak 4526 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 4526, nxpk= 0, iat=1135,1143, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 2 ASP QB 3 GLN H 4.66 (#peak 4531 #SUP 0.88 #QF 0.41;)
&rst
ixpk= 4531, nxpk= 0, iat= -1, 26, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 18, 19,
&end
#
# 58 ASP HB2 59 GLY H 4.66 (#peak 4535 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 4535, nxpk= 0, iat= 862, 870, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 76 MET HG3 77 LYS H 6.38 (#peak 4536 #SUP 0.73 #QF 0.59;)
&rst
ixpk= 4536, nxpk= 0, iat=1143,1152, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, &end
#
# 13 LYS QE 65 PHE QD 5.16 (#peak 4537 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 4537, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 200, 201,
igr2= 951, 959,
&end
#
# 13 LYS QE 65 PHE QE 4.33 (#peak 4538 #SUP 1.00;)
&rst
ixpk= 4538, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 200, 201,
igr2= 953, 957,
&end
#
# 137 ASN H 137 ASN HB2 4.11 (#peak 4540 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 4540, nxpk= 0, iat=2065,2069, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 123 GLU HG3 164 PHE HZ 4.82 (#peak 4541 #SUP 0.98 #QF 0.26;)
&rst
ixpk= 4541, nxpk= 0, iat=1871,2487, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 99 TYR QE 137 ASN HB2 4.33 (#peak 4543 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 4543, nxpk= 0, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1500,1505,
&end
#
# 71 MET H 71 MET HG3 4.44 (#peak 4545 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 4545, nxpk= 0, iat=1045,1053, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 24 ASP HB2 26 THR H 5.32 (#peak 4552 #SUP 0.87 #QF 0.68;)
&rst
ixpk= 4552, nxpk= 0, iat= 361, 376, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 161 GLN HB3 162 ARG H 4.42 (#peak 4554 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 4554, nxpk= 0, iat=2429,2441, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 24 ASP H 24 ASP HB2 4.28 (#peak 4555 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 4555, nxpk= 0, iat= 357, 361, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 122 ASP H 122 ASP HB2 3.76 (#peak 4556 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4556, nxpk= 0, iat=1851,1855, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 89 PHE HB3 138 TYR QE 4.60 (#peak 4561 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 4561, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2089,2094,
&end
#
# 123 GLU HG3 124 MET H 5.60 (#peak 4564 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 4564, nxpk= 0, iat=1871,1878, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 89 PHE H 89 PHE HB3 4.03 (#peak 4565 #SUP 1.00;)
&rst
ixpk= 4565, nxpk= 0, iat=1336,1341, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 89 PHE HB3 138 TYR QD 4.25 (#peak 4567 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 4567, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=2087,2096,
&end
#
# 51 MET H 51 MET HG2 4.16 (#peak 4569 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 4569, nxpk= 0, iat= 755, 762, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 170 GLN H 170 GLN HG3 4.73 (#peak 4572 #SUP 0.73 #QF 0.73;)
&rst
ixpk= 4572, nxpk= 0, iat=2598,2606, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 36 MET H 36 MET HG2 3.69 (#peak 4577 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4577, nxpk= 0, iat= 530, 537, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 67 GLU H 67 GLU HB3 3.95 (#peak 4583 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 4583, nxpk= 0, iat= 977, 982, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 143 GLN H 143 GLN HB3 4.25 (#peak 4584 #SUP 0.91 #QF 0.22;)
&rst
ixpk= 4584, nxpk= 0, iat=2166,2171, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 123 GLU HG2 164 PHE HZ 4.82 (#peak 4586 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 4586, nxpk= 0, iat=1870,2487, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 123 GLU HG2 124 MET H 5.60 (#peak 4589 #SUP 0.58 #QF 0.58;)
&rst
ixpk= 4589, nxpk= 0, iat=1870,1878, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 144 MET H 144 MET HG2 4.80 (#peak 4590 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4590, nxpk= 0, iat=2183,2190, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 114 GLU H 158 MET HG2 4.87 (#peak 4591 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 4591, nxpk= 0, iat=1723,2379, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 11 GLU HG3 12 PHE H 5.60 (#peak 4592 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 4592, nxpk= 0, iat= 160, 167, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 11 GLU H 11 GLU HG3 4.46 (#peak 4593 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4593, nxpk= 0, iat= 152, 160, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 111 ASN HB3 111 ASN HD22 4.27 (#peak 4596 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 4596, nxpk= 0, iat=1688,1693, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 111 ASN H 111 ASN HB3 4.27 (#peak 4597 #SUP 0.68 #QF 0.68;)
&rst
ixpk= 4597, nxpk= 0, iat=1683,1688, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 49 GLN QG 52 ILE H 4.96 (#peak 4599 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 4599, nxpk= 0, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 733, 734,
&end
#
# 49 GLN QG 50 ASP H 4.08 (#peak 4601 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 4601, nxpk= 0, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 733, 734,
&end
#
# 143 GLN QG 143 GLN HE22 3.76 (#peak 4603 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 4603, nxpk= 0, iat= -1,2179, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=2173,2174,
&end
#
# 143 GLN QG 143 GLN HE21 3.76 (#peak 4605 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 4605, nxpk= 0, iat= -1,2178, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=2173,2174,
&end
#
# 16 PHE QD 65 PHE HB2 5.93 (#peak 4606 #SUP 0.95 #QF 0.39;)
&rst
ixpk= 4606, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 242, 250,
&end
#
# 65 PHE H 65 PHE HB2 3.77 (#peak 4607 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 4607, nxpk= 0, iat= 943, 947, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 49 GLN QG 53 ASN H 4.96 (#peak 4608 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 4608, nxpk= 0, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 733, 734,
&end
#
# 16 PHE QE 65 PHE HB2 4.48 (#peak 4611 #SUP 0.50 #QF 0.50;)
&rst
ixpk= 4611, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 244, 248,
&end
#
# 127 GLU H 127 GLU HG2 4.54 (#peak 4614 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 4614, nxpk= 0, iat=1938,1945, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 143 GLN H 143 GLN QG 4.42 (#peak 4617 #SUP 0.61 #QF 0.61;)
&rst
ixpk= 4617, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2173,2174,
&end
#
# 6 GLU H 6 GLU HG3 4.08 (#peak 4619 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 4619, nxpk= 0, iat= 76, 84, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 14 GLU H 14 GLU QG 4.14 (#peak 4623 #SUP 0.66 #QF 0.66;)
&rst
ixpk= 4623, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 216, 217,
&end
#
# 45 GLU QG 46 ALA H 4.77 (#peak 4624 #SUP 0.70 #QF 0.25;)
&rst
ixpk= 4624, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 674, 675,
&end
#
# 119 GLU H 119 GLU QG 3.76 (#peak 4627 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 4627, nxpk= 0, iat=1805, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1812,1813,
&end
#
# 83 GLU H 83 GLU QG 4.07 (#peak 4628 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 4628, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1245,1246,
&end
#
# 47 GLU H 47 GLU QG 3.80 (#peak 4630 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 4630, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 699, 700,
&end
#
# 123 GLU QB 164 PHE HZ 4.16 (#peak 4631 #SUP 0.76 #QF 0.69;)
&rst
ixpk= 4631, nxpk= 0, iat= -1,2487, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1867,1868,
&end
#
# 16 PHE QE 20 ASP HB2 4.86 (#peak 4632 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 4632, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 244, 248,
&end
#
# 16 PHE QD 20 ASP HB2 4.80 (#peak 4633 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 4633, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 242, 250,
&end
#
# 44 THR H 47 GLU QG 4.66 (#peak 4634 #SUP 0.89 #QF 0.85;)
&rst
ixpk= 4634, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 699, 700,
&end
#
# 158 MET QB 159 VAL H 4.46 (#peak 4638 #SUP 0.88 #QF 0.50;)
&rst
ixpk= 4638, nxpk= 0, iat= -1,2389, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=2376,2377,
&end
#
# 16 PHE HZ 20 ASP HB2 5.39 (#peak 4639 #SUP 0.86 #QF 0.31;)
&rst
ixpk= 4639, nxpk= 0, iat= 246, 308, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 19 PHE H 20 ASP HB2 5.66 (#peak 4639 #SUP 0.86 #QF 0.31;)
&rst
ixpk= 4639, nxpk= 0, iat= 284, 308, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 123 GLU QB 124 MET H 3.79 (#peak 4641 #SUP 0.51 #QF 0.51;)
&rst
ixpk= 4641, nxpk= 0, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1867,1868,
&end
#
# 3 GLN QG 4 LEU H 4.36 (#peak 4644 #SUP 1.00 #QF 0.90;)
&rst
ixpk= 4644, nxpk= 0, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 33, 34,
&end
#
# 158 MET H 158 MET QB 3.73 (#peak 4646 #SUP 1.00 #QF 0.36;)
&rst
ixpk= 4646, nxpk= 0, iat=2372, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=2376,2377,
&end
#
# 142 VAL H 142 VAL HB 3.95 (#peak 4649 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 4649, nxpk= 0, iat=2150,2154, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 6 GLU H 6 GLU HG2 4.08 (#peak 4650 #SUP 0.96 #QF 0.85;)
&rst
ixpk= 4650, nxpk= 0, iat= 76, 83, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 8 GLN H 8 GLN HG3 4.47 (#peak 4655 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 4655, nxpk= 0, iat= 106, 114, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 136 VAL HB 137 ASN H 4.80 (#peak 4660 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 4660, nxpk= 0, iat=2053,2065, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 47 GLU HB3 48 LEU H 4.16 (#peak 4662 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 4662, nxpk= 0, iat= 697, 707, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 129 ASP HB2 130 ILE H 4.86 (#peak 4664 #SUP 0.71 #QF 0.71;)
&rst
ixpk= 4664, nxpk= 0, iat=1967,1975, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 127 GLU HB2 141 PHE QE 4.90 (#peak 4670 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 4670, nxpk= 0, iat=1942, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2140,2144,
&end
#
# 55 VAL HB 56 ASP H 4.24 (#peak 4671 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 4671, nxpk= 0, iat= 824, 836, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 144 MET HB3 145 MET H 4.60 (#peak 4678 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 4678, nxpk= 0, iat=2188,2200, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 84 GLU H 84 GLU HB3 3.79 (#peak 4681 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 4681, nxpk= 0, iat=1253,1258, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 5 THR H 8 GLN HG2 5.16 (#peak 4683 #SUP 0.89 #QF 0.51;)
&rst
ixpk= 4683, nxpk= 0, iat= 62, 113, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 8 GLN HB3 12 PHE QD 4.39 (#peak 4685 #SUP 0.57 #QF 0.57;)
&rst
ixpk= 4685, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 175, 183,
&end
#
# 65 PHE H 66 PRO HG3 5.64 (#peak 4688 #SUP 0.99 #QF 0.97;)
&rst
ixpk= 4688, nxpk= 0, iat= 943, 968, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 41 GLN H 41 GLN HG3 4.33 (#peak 4690 #SUP 0.81 #QF 0.46;)
&rst
ixpk= 4690, nxpk= 0, iat= 608, 616, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 8 GLN HB3 12 PHE QE 4.27 (#peak 4691 #SUP 0.92 #QF 0.33;)
&rst
ixpk= 4691, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 177, 181,
&end
#
# 159 VAL H 159 VAL HB 3.41 (#peak 4692 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4692, nxpk= 0, iat=2389,2393, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 8 GLN HB3 12 PHE HZ 5.21 (#peak 4694 #SUP 0.98 #QF 0.41;)
&rst
ixpk= 4694, nxpk= 0, iat= 111, 179, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 92 PHE QE 153 GLU HG3 4.20 (#peak 4695 #SUP 0.99 #QF 0.57;)
&rst
ixpk= 4695, nxpk= 0, iat= -1,2313, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1406,1410,
&end
#
# 65 PHE QD 66 PRO HB3 5.82 (#peak 4696 #SUP 0.39 #QF 0.39;)
&rst
ixpk= 4696, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 951, 959,
&end
#
# 11 GLU HG2 12 PHE H 5.60 (#peak 4699 #SUP 0.73 #QF 0.39;)
&rst
ixpk= 4699, nxpk= 0, iat= 159, 167, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 82 GLU QG 83 GLU H 4.71 (#peak 4702 #SUP 0.39 #QF 0.39;)
&rst
ixpk= 4702, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1230,1231,
&end
#
# 170 GLN QB 171 ARG H 3.92 (#peak 4706 #SUP 0.49 #QF 0.49;)
&rst
ixpk= 4706, nxpk= 0, iat= -1,2615, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=2602,2603,
&end
#
# 14 GLU QB 15 ALA H 3.55 (#peak 4711 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4711, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 213, 214,
&end
#
# 144 MET H 144 MET HB2 4.07 (#peak 4715 #SUP 0.87 #QF 0.27;)
&rst
ixpk= 4715, nxpk= 0, iat=2183,2187, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 19 PHE QE 31 GLU QG 4.98 (#peak 4716 #SUP 0.52 #QF 0.23;)
&rst
ixpk= 4716, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 294, 298,
igr2= 466, 467,
&end
#
# 31 GLU H 31 GLU QG 3.87 (#peak 4718 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 4718, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 466, 467,
&end
#
# 28 THR H 31 GLU QG 4.36 (#peak 4720 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 4720, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 466, 467,
&end
#
# 19 PHE QD 31 GLU QG 4.32 (#peak 4721 #SUP 0.61 #QF 0.61;)
&rst
ixpk= 4721, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 292, 300,
igr2= 466, 467,
&end
#
# 143 GLN H 143 GLN HB2 4.25 (#peak 4724 #SUP 0.94 #QF 0.83;)
&rst
ixpk= 4724, nxpk= 0, iat=2166,2170, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 139 GLU H 139 GLU HG3 4.25 (#peak 4726 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 4726, nxpk= 0, iat=2100,2108, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 154 GLU QB 155 VAL H 3.81 (#peak 4729 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 4729, nxpk= 0, iat= -1,2335, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=2324,2325,
&end
#
# 12 PHE QD 76 MET QE 5.52 (#peak 4730 #SUP 0.32 #QF 0.32;)
&rst
ixpk= 4730, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
igr1= 175, 183,
igr2=1146,1147,1148,
&end
#
# 92 PHE QE 153 GLU HG2 4.20 (#peak 4735 #SUP 0.72 #QF 0.72;)
&rst
ixpk= 4735, nxpk= 0, iat= -1,2312, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1406,1410,
&end
#
# 12 PHE QE 76 MET QE 4.00 (#peak 4739 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 4739, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 177, 181,
igr2=1146,1147,1148,
&end
#
# 12 PHE HZ 76 MET QE 3.70 (#peak 4740 #SUP 0.92 #QF 0.89;)
&rst
ixpk= 4740, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1146,1147,1148,
&end
#
# 139 GLU H 139 GLU HG2 4.25 (#peak 4743 #SUP 0.38 #QF 0.38;)
&rst
ixpk= 4743, nxpk= 0, iat=2100,2107, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 92 PHE HZ 153 GLU QB 4.38 (#peak 4749 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 4749, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=2309,2310,
&end
#
# 86 ARG QB 89 PHE QD 4.82 (#peak 4750 #SUP 0.27 #QF 0.27;)
&rst
ixpk= 4750, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1291,1292,
igr2=1344,1352,
&end
#
# 92 PHE QE 153 GLU QB 3.80 (#peak 4751 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4751, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1406,1410,
igr2=2309,2310,
&end
#
# 152 SER H 153 GLU QB 4.27 (#peak 4762 #SUP 0.40 #QF 0.40;)
&rst
ixpk= 4762, nxpk= 0, iat=2294, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=2309,2310,
&end
#
# 84 GLU H 84 GLU HB2 3.79 (#peak 4763 #SUP 0.99 #QF 0.64;)
&rst
ixpk= 4763, nxpk= 0, iat=1253,1257, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 11 GLU QB 12 PHE H 3.91 (#peak 4764 #SUP 0.72 #QF 0.40;)
&rst
ixpk= 4764, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 156, 157,
&end
#
# 11 GLU QB 12 PHE QD 4.59 (#peak 4767 #SUP 0.32 #QF 0.32;)
&rst
ixpk= 4767, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 156, 157,
igr2= 175, 183,
&end
#
# 124 MET H 125 ILE HB 5.63 (#peak 4769 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 4769, nxpk= 0, iat=1878,1899, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 45 GLU H 45 GLU QB 3.14 (#peak 4773 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 4773, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 671, 672,
&end
#
# 45 GLU QB 46 ALA H 3.46 (#peak 4774 #SUP 0.90 #QF 0.59;)
&rst
ixpk= 4774, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 671, 672,
&end
#
# 51 MET HB2 52 ILE H 4.12 (#peak 4774 #SUP 0.90 #QF 0.59;)
&rst
ixpk= 4774, nxpk= 0, iat= 759, 772, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 125 ILE H 125 ILE HB 3.80 (#peak 4775 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 4775, nxpk= 0, iat=1895,1899, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 6 GLU H 6 GLU QB 3.14 (#peak 4778 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 4778, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 80, 81,
&end
#
# 6 GLU QB 7 GLU H 3.33 (#peak 4779 #SUP 0.68 #QF 0.55;)
&rst
ixpk= 4779, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 80, 81,
&end
#
# 7 GLU H 7 GLU HB3 3.77 (#peak 4779 #SUP 0.68 #QF 0.55;)
&rst
ixpk= 4779, nxpk= 0, iat= 91, 96, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 141 PHE QE 144 MET QE 4.42 (#peak 4783 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 4783, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=2140,2144,
igr2=2194,2195,2196,
&end
#
# 141 PHE QD 144 MET QE 4.25 (#peak 4784 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 4784, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=2138,2146,
igr2=2194,2195,2196,
&end
#
# 166 ARG QB 168 LEU H 5.67 (#peak 4787 #SUP 0.96 #QF 0.94;)
&rst
ixpk= 4787, nxpk= 0, iat= -1,2560, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2523,2524,
&end
#
# 51 MET H 51 MET HB2 4.05 (#peak 4788 #SUP 0.96 #QF 0.39;)
&rst
ixpk= 4788, nxpk= 0, iat= 755, 759, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 119 GLU QB 120 GLU H 4.02 (#peak 4793 #SUP 0.98 #QF 0.42;)
&rst
ixpk= 4793, nxpk= 0, iat= -1,1820, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1809,1810,
&end
#
# 48 LEU H 51 MET QE 4.06 (#peak 4796 #SUP 0.24 #QF 0.24;)
&rst
ixpk= 4796, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 766, 767, 768,
&end
#
# 145 MET HB3 146 THR H 4.79 (#peak 4800 #SUP 0.73 #QF 0.73;)
&rst
ixpk= 4800, nxpk= 0, iat=2205,2217, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 120 GLU HB2 121 VAL H 4.59 (#peak 4801 #SUP 0.33 #QF 0.33;)
&rst
ixpk= 4801, nxpk= 0, iat=1824,1835, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 43 PRO QG 48 LEU H 4.77 (#peak 4802 #SUP 0.95 #QF 0.21;)
&rst
ixpk= 4802, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 643, 644,
&end
#
# 11 GLU H 13 LYS HB3 5.48 (#peak 4809 #SUP 0.36 #QF 0.36;)
&rst
ixpk= 4809, nxpk= 0, iat= 152, 192, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 67 GLU H 67 GLU HB2 3.95 (#peak 4811 #SUP 0.99 #QF 0.52;)
&rst
ixpk= 4811, nxpk= 0, iat= 977, 981, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 3 GLN HB2 4 LEU H 4.45 (#peak 4813 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 4813, nxpk= 0, iat= 30, 43, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 89 PHE QD 138 TYR QB 4.76 (#peak 4819 #SUP 0.88 #QF 0.34;)
&rst
ixpk= 4819, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1344,1352,
igr2=2083,2084,
&end
#
# 13 LYS H 13 LYS HB3 3.65 (#peak 4820 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4820, nxpk= 0, iat= 187, 192, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 13 LYS HB3 14 GLU H 3.84 (#peak 4821 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 4821, nxpk= 0, iat= 192, 209, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 120 GLU H 120 GLU HB2 4.25 (#peak 4822 #SUP 0.87 #QF 0.59;)
&rst
ixpk= 4822, nxpk= 0, iat=1820,1824, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 13 LYS HB3 65 PHE HZ 4.34 (#peak 4823 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 4823, nxpk= 0, iat= 192, 955, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 68 PHE QD 71 MET QE 3.99 (#peak 4826 #SUP 0.86 #QF 0.20;)
&rst
ixpk= 4826, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1000,1008,
igr2=1056,1057,1058,
&end
#
# 135 GLN QB 136 VAL H 4.79 (#peak 4827 #SUP 0.98 #QF 0.95;)
&rst
ixpk= 4827, nxpk= 0, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=2036,2037,
&end
#
# 71 MET H 71 MET HB2 3.81 (#peak 4828 #SUP 0.79 #QF 0.72;)
&rst
ixpk= 4828, nxpk= 0, iat=1045,1049, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 13 LYS HB3 65 PHE QE 4.94 (#peak 4830 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4830, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 953, 957,
&end
#
# 126 ARG H 126 ARG HB2 4.02 (#peak 4835 #SUP 0.92 #QF 0.90;)
&rst
ixpk= 4835, nxpk= 0, iat=1914,1918, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 94 LYS H 94 LYS QB 3.26 (#peak 4837 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 4837, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1432,1433,
&end
#
# 74 ARG H 74 ARG QB 3.18 (#peak 4839 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 4839, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1093,1094,
&end
#
# 99 TYR QD 135 GLN QB 3.96 (#peak 4840 #SUP 0.51 #QF 0.51;)
&rst
ixpk= 4840, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1498,1507,
igr2=2036,2037,
&end
#
# 74 ARG QB 75 LYS H 3.75 (#peak 4841 #SUP 0.93 #QF 0.61;)
&rst
ixpk= 4841, nxpk= 0, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1093,1094,
&end
#
# 75 LYS H 75 LYS HB3 3.95 (#peak 4841 #SUP 0.93 #QF 0.61;)
&rst
ixpk= 4841, nxpk= 0, iat=1113,1118, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 7 GLU H 7 GLU HB2 3.77 (#peak 4844 #SUP 0.69 #QF 0.69;)
&rst
ixpk= 4844, nxpk= 0, iat= 91, 95, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 32 LEU HB3 33 GLY H 3.59 (#peak 4852 #SUP 0.86 #QF 0.79;)
&rst
ixpk= 4852, nxpk= 0, iat= 479, 493, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 47 GLU H 47 GLU HB2 3.83 (#peak 4853 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 4853, nxpk= 0, iat= 692, 696, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 31 GLU H 31 GLU HB3 4.19 (#peak 4854 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4854, nxpk= 0, iat= 459, 464, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 84 GLU H 85 ILE HB 6.02 (#peak 4857 #SUP 0.94 #QF 0.32;)
&rst
ixpk= 4857, nxpk= 0, iat=1253,1272, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 85 ILE H 85 ILE HG13 3.70 (#peak 4860 #SUP 0.91 #QF 0.86;)
&rst
ixpk= 4860, nxpk= 0, iat=1268,1279, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 19 PHE QD 35 VAL HB 4.58 (#peak 4862 #SUP 0.60 #QF 0.48;)
&rst
ixpk= 4862, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 292, 300,
&end
#
# 12 PHE QE 39 LEU QB 5.04 (#peak 4862 #SUP 0.60 #QF 0.48;)
&rst
ixpk= 4862, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 177, 181,
igr2= 586, 587,
&end
#
# 52 ILE H 52 ILE HB 3.30 (#peak 4864 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4864, nxpk= 0, iat= 772, 776, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 139 GLU H 139 GLU HB2 3.93 (#peak 4865 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 4865, nxpk= 0, iat=2100,2104, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 84 GLU H 85 ILE HG13 5.63 (#peak 4866 #SUP 0.88 #QF 0.63;)
&rst
ixpk= 4866, nxpk= 0, iat=1253,1279, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 145 MET QE 164 PHE H 4.69 (#peak 4868 #SUP 0.92 #QF 0.87;)
&rst
ixpk= 4868, nxpk= 0, iat= -1,2475, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=2211,2212,2213,
&end
#
# 52 ILE HB 53 ASN H 3.60 (#peak 4869 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 4869, nxpk= 0, iat= 776, 791, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 30 LYS QB 31 GLU H 3.77 (#peak 4870 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 4870, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 441, 442,
&end
#
# 19 PHE QE 35 VAL HB 5.70 (#peak 4871 #SUP 0.56 #QF 0.21;)
&rst
ixpk= 4871, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 294, 298,
&end
#
# 141 PHE QD 145 MET QE 4.00 (#peak 4872 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 4872, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2138,2146,
igr2=2211,2212,2213,
&end
#
# 36 MET QE 68 PHE QE 4.74 (#peak 4873 #SUP 0.86 #QF 0.20;)
&rst
ixpk= 4873, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 541, 542, 543,
igr2=1002,1006,
&end
#
# 89 PHE QE 145 MET QE 4.87 (#peak 4874 #SUP 0.98 #QF 0.26;)
&rst
ixpk= 4874, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1346,1350,
igr2=2211,2212,2213,
&end
#
# 141 PHE HZ 145 MET QE 4.82 (#peak 4874 #SUP 0.98 #QF 0.26;)
&rst
ixpk= 4874, nxpk= 0, iat=2142, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=2211,2212,2213,
&end
#
# 165 ARG H 165 ARG HB2 4.21 (#peak 4876 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 4876, nxpk= 0, iat=2495,2499, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 141 PHE QE 145 MET QE 3.66 (#peak 4877 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 4877, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=2140,2144,
igr2=2211,2212,2213,
&end
#
# 36 MET QE 68 PHE QD 5.38 (#peak 4878 #SUP 0.69 #QF 0.28;)
&rst
ixpk= 4878, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 541, 542, 543,
igr2=1000,1008,
&end
#
# 36 MET HB2 37 ARG H 4.23 (#peak 4880 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 4880, nxpk= 0, iat= 534, 547, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 30 LYS H 30 LYS QB 3.20 (#peak 4881 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4881, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 441, 442,
&end
#
# 12 PHE QD 39 LEU HG 4.96 (#peak 4882 #SUP 0.94 #QF 0.49;)
&rst
ixpk= 4882, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 175, 183,
&end
#
# 106 ARG QB 107 HIS H 3.85 (#peak 4883 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 4883, nxpk= 0, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1599,1600,
&end
#
# 130 ILE H 130 ILE HB 4.00 (#peak 4885 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 4885, nxpk= 0, iat=1975,1979, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 9 ILE HB 10 ALA H 3.61 (#peak 4889 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 4889, nxpk= 0, iat= 127, 142, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 100 ILE HG12 136 VAL H 4.59 (#peak 4890 #SUP 0.51 #QF 0.51;)
&rst
ixpk= 4890, nxpk= 0, iat=1521,2049, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 48 LEU HB3 49 GLN H 4.03 (#peak 4894 #SUP 0.99 #QF 0.98;)
&rst
ixpk= 4894, nxpk= 0, iat= 712, 726, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 112 LEU H 112 LEU HB3 4.32 (#peak 4896 #SUP 0.94 #QF 0.91;)
&rst
ixpk= 4896, nxpk= 0, iat=1697,1702, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 124 MET QG 164 PHE QE 4.65 (#peak 4896 #SUP 0.94 #QF 0.91;)
&rst
ixpk= 4896, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1885,1886,
igr2=2485,2489,
&end
#
# 112 LEU HB3 113 GLY H 4.78 (#peak 4897 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 4897, nxpk= 0, iat=1702,1716, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 100 ILE HG12 138 TYR QE 4.67 (#peak 4898 #SUP 0.59 #QF 0.59;)
&rst
ixpk= 4898, nxpk= 0, iat=1521, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2089,2094,
&end
#
# 31 GLU H 31 GLU HB2 4.19 (#peak 4899 #SUP 0.91 #QF 0.87;)
&rst
ixpk= 4899, nxpk= 0, iat= 459, 463, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 145 MET HB2 146 THR H 4.79 (#peak 4899 #SUP 0.91 #QF 0.87;)
&rst
ixpk= 4899, nxpk= 0, iat=2204,2217, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 124 MET QG 141 PHE HZ 4.90 (#peak 4901 #SUP 0.90 #QF 0.62;)
&rst
ixpk= 4901, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1885,1886,
&end
#
# 100 ILE HG12 138 TYR QD 4.33 (#peak 4902 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 4902, nxpk= 0, iat=1521, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=2087,2096,
&end
#
# 13 LYS HB2 65 PHE QD 5.52 (#peak 4903 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 4903, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 951, 959,
&end
#
# 13 LYS H 13 LYS HB2 3.58 (#peak 4905 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 4905, nxpk= 0, iat= 187, 191, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 100 ILE HG12 101 SER H 4.81 (#peak 4906 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 4906, nxpk= 0, iat=1521,1530, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 109 MET QE 161 GLN H 4.39 (#peak 4907 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 4907, nxpk= 0, iat= -1,2424, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1663,1664,1665,
&end
#
# 174 LYS QB 175 HIS H 4.84 (#peak 4909 #SUP 0.96 #QF 0.93;)
&rst
ixpk= 4909, nxpk= 0, iat= -1,2691, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=2673,2674,
&end
#
# 13 LYS HB2 65 PHE QE 4.11 (#peak 4910 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 4910, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 953, 957,
&end
#
# 114 GLU H 114 GLU QB 4.17 (#peak 4911 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 4911, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1727,1728,
&end
#
# 13 LYS HB2 65 PHE HZ 3.73 (#peak 4912 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 4912, nxpk= 0, iat= 191, 955, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 92 PHE QE 109 MET QE 4.27 (#peak 4913 #SUP 0.99 #QF 0.45;)
&rst
ixpk= 4913, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1406,1410,
igr2=1663,1664,1665,
&end
#
# 114 GLU QB 115 LYS H 4.14 (#peak 4913 #SUP 0.99 #QF 0.45;)
&rst
ixpk= 4913, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1727,1728,
&end
#
# 116 LEU H 116 LEU QB 4.27 (#peak 4915 #SUP 0.72 #QF 0.72;)
&rst
ixpk= 4915, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1764,1765,
&end
#
# 48 LEU H 48 LEU HB3 3.95 (#peak 4916 #SUP 0.77 #QF 0.20;)
&rst
ixpk= 4916, nxpk= 0, iat= 707, 712, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 116 LEU QB 121 VAL H 4.74 (#peak 4918 #SUP 0.80 #QF 0.25;)
&rst
ixpk= 4918, nxpk= 0, iat= -1,1835, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1764,1765,
&end
#
# 124 MET QG 141 PHE QE 3.99 (#peak 4919 #SUP 0.70 #QF 0.44;)
&rst
ixpk= 4919, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1885,1886,
igr2=2140,2144,
&end
#
# 124 MET H 124 MET QG 4.81 (#peak 4920 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 4920, nxpk= 0, iat=1878, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1885,1886,
&end
#
# 27 ILE H 63 ILE HB 4.70 (#peak 4921 #SUP 0.93 #QF 0.79;)
&rst
ixpk= 4921, nxpk= 0, iat= 390, 916, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 75 LYS HB2 76 MET H 4.29 (#peak 4922 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 4922, nxpk= 0, iat=1117,1135, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 63 ILE HB 68 PHE QD 5.61 (#peak 4925 #SUP 0.39 #QF 0.39;)
&rst
ixpk= 4925, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1000,1008,
&end
#
# 75 LYS H 75 LYS HB2 3.95 (#peak 4927 #SUP 0.90 #QF 0.25;)
&rst
ixpk= 4927, nxpk= 0, iat=1113,1117, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 169 LEU QB 170 GLN H 3.80 (#peak 4928 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 4928, nxpk= 0, iat= -1,2598, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=2583,2584,
&end
#
# 169 LEU QB 171 ARG H 4.98 (#peak 4929 #SUP 0.58 #QF 0.58;)
&rst
ixpk= 4929, nxpk= 0, iat= -1,2615, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=2583,2584,
&end
#
# 145 MET H 145 MET HB2 3.97 (#peak 4930 #SUP 0.89 #QF 0.22;)
&rst
ixpk= 4930, nxpk= 0, iat=2200,2204, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 169 LEU H 169 LEU QB 3.28 (#peak 4931 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 4931, nxpk= 0, iat=2579, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=2583,2584,
&end
#
# 91 VAL HB 92 PHE QD 5.10 (#peak 4932 #SUP 0.83 #QF 0.39;)
&rst
ixpk= 4932, nxpk= 0, iat=1384, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1404,1412,
&end
#
# 91 VAL H 91 VAL HB 3.86 (#peak 4933 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 4933, nxpk= 0, iat=1380,1384, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 100 ILE HB 138 TYR QE 5.55 (#peak 4938 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 4938, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=2089,2094,
&end
#
# 173 LEU H 173 LEU HB2 3.46 (#peak 4941 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 4941, nxpk= 0, iat=2650,2654, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 162 ARG QG 162 ARG HE 4.19 (#peak 4943 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 4943, nxpk= 0, iat= -1,2454, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=2448,2449,
&end
#
# 18 LEU H 18 LEU HB3 3.87 (#peak 4945 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 4945, nxpk= 0, iat= 265, 270, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 15 ALA QB 19 PHE QD 4.32 (#peak 4946 #SUP 0.54 #QF 0.54;)
&rst
ixpk= 4946, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 228, 229, 230,
igr2= 292, 300,
&end
#
# 162 ARG QG 163 ALA H 4.82 (#peak 4948 #SUP 0.71 #QF 0.71;)
&rst
ixpk= 4948, nxpk= 0, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=2448,2449,
&end
#
# 77 LYS H 77 LYS QD 4.59 (#peak 4949 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 4949, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1162,1163,
&end
#
# 108 VAL H 108 VAL HB 3.85 (#peak 4950 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 4950, nxpk= 0, iat=1636,1640, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 108 VAL HB 109 MET H 4.22 (#peak 4951 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 4951, nxpk= 0, iat=1640,1652, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 15 ALA QB 16 PHE H 3.40 (#peak 4953 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 4953, nxpk= 0, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 228, 229, 230,
&end
#
# 124 MET QB 125 ILE H 3.74 (#peak 4955 #SUP 0.79 #QF 0.52;)
&rst
ixpk= 4955, nxpk= 0, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1882,1883,
&end
#
# 107 HIS H 108 VAL HB 5.17 (#peak 4958 #SUP 0.61 #QF 0.61;)
&rst
ixpk= 4958, nxpk= 0, iat=1619,1640, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 15 ALA H 15 ALA QB 3.04 (#peak 4959 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 4959, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 228, 229, 230,
&end
#
# 12 PHE QD 15 ALA QB 4.33 (#peak 4960 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 4960, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 175, 183,
igr2= 228, 229, 230,
&end
#
# 15 ALA QB 68 PHE QE 5.20 (#peak 4966 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 4966, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 228, 229, 230,
igr2=1002,1006,
&end
#
# 15 ALA QB 19 PHE QE 4.47 (#peak 4967 #SUP 0.47 #QF 0.31;)
&rst
ixpk= 4967, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 228, 229, 230,
igr2= 294, 298,
&end
#
# 124 MET QB 164 PHE QD 4.34 (#peak 4968 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 4968, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1882,1883,
igr2=2483,2491,
&end
#
# 21 LYS H 21 LYS QD 4.87 (#peak 4969 #SUP 0.94 #QF 0.75;)
&rst
ixpk= 4969, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 326, 327,
&end
#
# 124 MET QB 164 PHE QE 4.20 (#peak 4970 #SUP 0.53 #QF 0.36;)
&rst
ixpk= 4970, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1882,1883,
igr2=2485,2489,
&end
#
# 18 LEU H 18 LEU HG 3.44 (#peak 4971 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 4971, nxpk= 0, iat= 265, 272, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 18 LEU HG 19 PHE QD 4.69 (#peak 4972 #SUP 0.98 #QF 0.88;)
&rst
ixpk= 4972, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 292, 300,
&end
#
# 124 MET QE 164 PHE QD 3.48 (#peak 4976 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 4976, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1889,1890,1891,
igr2=2483,2491,
&end
#
# 18 LEU HG 19 PHE QE 4.16 (#peak 4977 #SUP 0.39 #QF 0.39;)
&rst
ixpk= 4977, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 294, 298,
&end
#
# 124 MET QE 164 PHE H 4.84 (#peak 4978 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 4978, nxpk= 0, iat= -1,2475, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1889,1890,1891,
&end
#
# 124 MET H 124 MET QE 4.95 (#peak 4979 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 4979, nxpk= 0, iat=1878, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1889,1890,1891,
&end
#
# 89 PHE HB2 138 TYR QE 4.60 (#peak 4981 #SUP 0.96 #QF 0.94;)
&rst
ixpk= 4981, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2089,2094,
&end
#
# 111 ASN HD21 112 LEU HG 4.88 (#peak 4981 #SUP 0.96 #QF 0.94;)
&rst
ixpk= 4981, nxpk= 0, iat=1692,1704, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 48 LEU HG 49 GLN H 5.26 (#peak 4982 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 4982, nxpk= 0, iat= 714, 726, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 74 ARG H 74 ARG HG2 4.55 (#peak 4983 #SUP 0.79 #QF 0.72;)
&rst
ixpk= 4983, nxpk= 0, iat=1089,1096, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 109 MET HB2 110 THR H 4.95 (#peak 4983 #SUP 0.79 #QF 0.72;)
&rst
ixpk= 4983, nxpk= 0, iat=1656,1669, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 89 PHE HB2 138 TYR QD 4.25 (#peak 4985 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 4985, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=2087,2096,
&end
#
# 89 PHE H 89 PHE HB2 4.03 (#peak 4987 #SUP 1.00;)
&rst
ixpk= 4987, nxpk= 0, iat=1336,1340, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 89 PHE HB2 90 ARG H 4.49 (#peak 4988 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 4988, nxpk= 0, iat=1340,1356, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 112 LEU H 112 LEU HG 4.29 (#peak 4989 #SUP 0.90 #QF 0.50;)
&rst
ixpk= 4989, nxpk= 0, iat=1697,1704, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 168 LEU H 168 LEU HB3 4.05 (#peak 4990 #SUP 0.71 #QF 0.71;)
&rst
ixpk= 4990, nxpk= 0, iat=2560,2565, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 163 ALA QB 164 PHE H 3.66 (#peak 4993 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 4993, nxpk= 0, iat= -1,2475, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=2469,2470,2471,
&end
#
# 162 ARG H 163 ALA QB 4.63 (#peak 4994 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 4994, nxpk= 0, iat=2441, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=2469,2470,2471,
&end
#
# 86 ARG H 88 ALA QB 5.07 (#peak 4996 #SUP 0.93 #QF 0.64;)
&rst
ixpk= 4996, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1330,1331,1332,
&end
#
# 163 ALA H 163 ALA QB 3.15 (#peak 4997 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 4997, nxpk= 0, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=2469,2470,2471,
&end
#
# 88 ALA H 88 ALA QB 3.31 (#peak 4999 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 4999, nxpk= 0, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1330,1331,1332,
&end
#
# 88 ALA QB 89 PHE QD 4.15 (#peak 5000 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 5000, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1330,1331,1332,
igr2=1344,1352,
&end
#
# 88 ALA QB 92 PHE QD 4.77 (#peak 5002 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 5002, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1330,1331,1332,
igr2=1404,1412,
&end
#
# 88 ALA QB 89 PHE QE 4.71 (#peak 5003 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 5003, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1330,1331,1332,
igr2=1346,1350,
&end
#
# 160 ILE HB 161 GLN H 4.09 (#peak 5004 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 5004, nxpk= 0, iat=2409,2424, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 160 ILE H 160 ILE HB 3.52 (#peak 5005 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 5005, nxpk= 0, iat=2405,2409, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 88 ALA QB 92 PHE QE 4.23 (#peak 5007 #SUP 0.67 #QF 0.67;)
&rst
ixpk= 5007, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1330,1331,1332,
igr2=1406,1410,
&end
#
# 179 LEU H 179 LEU QB 3.74 (#peak 5008 #SUP 1.00;)
&rst
ixpk= 5008, nxpk= 0, iat=2749, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2753,2754,
&end
#
# 125 ILE H 125 ILE HG13 4.13 (#peak 5010 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 5010, nxpk= 0, iat=1895,1906, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 130 ILE H 130 ILE HG13 4.27 (#peak 5013 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 5013, nxpk= 0, iat=1975,1986, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 173 LEU HB3 174 LYS H 4.66 (#peak 5014 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 5014, nxpk= 0, iat=2655,2669, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 63 ILE H 63 ILE HG13 4.43 (#peak 5016 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 5016, nxpk= 0, iat= 912, 923, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 165 ARG QG 166 ARG H 4.60 (#peak 5018 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 5018, nxpk= 0, iat= -1,2519, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=2502,2503,
&end
#
# 165 ARG QG 165 ARG HE 4.25 (#peak 5020 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 5020, nxpk= 0, iat= -1,2508, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=2502,2503,
&end
#
# 32 LEU HG 33 GLY H 4.82 (#peak 5021 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 5021, nxpk= 0, iat= 481, 493, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 32 LEU H 32 LEU HG 5.08 (#peak 5022 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 5022, nxpk= 0, iat= 474, 481, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 106 ARG H 106 ARG QG 4.53 (#peak 5023 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 5023, nxpk= 0, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1602,1603,
&end
#
# 160 ILE H 160 ILE HG13 4.15 (#peak 5025 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 5025, nxpk= 0, iat=2405,2416, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 10 ALA QB 12 PHE H 5.81 (#peak 5026 #SUP 0.88 #QF 0.84;)
&rst
ixpk= 5026, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 146, 147, 148,
&end
#
# 77 LYS QG 78 ASP H 4.51 (#peak 5027 #SUP 0.69 #QF 0.24;)
&rst
ixpk= 5027, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1159,1160,
&end
#
# 10 ALA QB 13 LYS H 5.10 (#peak 5028 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 5028, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 146, 147, 148,
&end
#
# 10 ALA H 10 ALA QB 2.82 (#peak 5029 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 5029, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 146, 147, 148,
&end
#
# 10 ALA QB 11 GLU H 3.19 (#peak 5030 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 5030, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 146, 147, 148,
&end
#
# 8 GLN H 10 ALA QB 5.41 (#peak 5031 #SUP 0.88 #QF 0.79;)
&rst
ixpk= 5031, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 146, 147, 148,
&end
#
# 144 MET H 147 ALA QB 5.87 (#peak 5031 #SUP 0.88 #QF 0.79;)
&rst
ixpk= 5031, nxpk= 0, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2=2235,2236,2237,
&end
#
# 147 ALA QB 148 LYS H 3.34 (#peak 5034 #SUP 0.74 #QF 0.74;)
&rst
ixpk= 5034, nxpk= 0, iat= -1,2241, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=2235,2236,2237,
&end
#
# 159 VAL H 160 ILE HG13 4.92 (#peak 5035 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 5035, nxpk= 0, iat=2389,2416, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 30 LYS H 30 LYS QG 3.68 (#peak 5036 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5036, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 444, 445,
&end
#
# 77 LYS QG 79 THR H 4.53 (#peak 5039 #SUP 0.76 #QF 0.56;)
&rst
ixpk= 5039, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1159,1160,
&end
#
# 77 LYS H 77 LYS QG 4.36 (#peak 5043 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 5043, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1159,1160,
&end
#
# 69 LEU H 69 LEU HB2 3.68 (#peak 5049 #SUP 1.00;)
&rst
ixpk= 5049, nxpk= 0, iat=1012,1016, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 57 ALA H 57 ALA QB 2.78 (#peak 5054 #SUP 0.68 #QF 0.68;)
&rst
ixpk= 5054, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 852, 853, 854,
&end
#
# 68 PHE QD 69 LEU HB2 5.20 (#peak 5057 #SUP 0.64 #QF 0.64;)
&rst
ixpk= 5057, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1000,1008,
&end
#
# 41 GLN HE22 72 MET QE 4.51 (#peak 5058 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 5058, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1073,1074,1075,
&end
#
# 41 GLN HE21 72 MET QE 4.51 (#peak 5059 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 5059, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1073,1074,1075,
&end
#
# 12 PHE QE 72 MET QE 3.84 (#peak 5060 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 5060, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 177, 181,
igr2=1073,1074,1075,
&end
#
# 12 PHE HZ 72 MET QE 3.82 (#peak 5061 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 5061, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1073,1074,1075,
&end
#
# 12 PHE QD 72 MET QE 4.50 (#peak 5062 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 5062, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 175, 183,
igr2=1073,1074,1075,
&end
#
# 102 ALA H 103 ALA QB 4.91 (#peak 5064 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 5064, nxpk= 0, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1555,1556,1557,
&end
#
# 103 ALA H 103 ALA QB 3.00 (#peak 5065 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 5065, nxpk= 0, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1555,1556,1557,
&end
#
# 103 ALA QB 104 GLU H 3.44 (#peak 5066 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 5066, nxpk= 0, iat= -1,1561, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1555,1556,1557,
&end
#
# 41 GLN H 72 MET QE 5.95 (#peak 5067 #SUP 0.68 #QF 0.23;)
&rst
ixpk= 5067, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr2=1073,1074,1075,
&end
#
# 103 ALA QB 107 HIS H 6.20 (#peak 5067 #SUP 0.68 #QF 0.23;)
&rst
ixpk= 5067, nxpk= 0, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1=1555,1556,1557,
&end
#
# 69 LEU HB2 70 THR H 3.77 (#peak 5068 #SUP 0.26 #QF 0.26;)
&rst
ixpk= 5068, nxpk= 0, iat=1016,1031, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 103 ALA QB 105 LEU H 5.38 (#peak 5069 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 5069, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1555,1556,1557,
&end
#
# 72 MET H 72 MET QE 5.12 (#peak 5070 #SUP 0.89 #QF 0.34;)
&rst
ixpk= 5070, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1073,1074,1075,
&end
#
# 72 MET H 73 ALA QB 5.38 (#peak 5070 #SUP 0.89 #QF 0.34;)
&rst
ixpk= 5070, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=1083,1084,1085,
&end
#
# 73 ALA QB 76 MET H 5.29 (#peak 5071 #SUP 0.86 #QF 0.60;)
&rst
ixpk= 5071, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1083,1084,1085,
&end
#
# 75 LYS QG 76 MET H 5.55 (#peak 5071 #SUP 0.86 #QF 0.60;)
&rst
ixpk= 5071, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1120,1121,
&end
#
# 4 LEU H 73 ALA QB 3.79 (#peak 5073 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 5073, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1083,1084,1085,
&end
#
# 73 ALA QB 74 ARG H 3.33 (#peak 5074 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 5074, nxpk= 0, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1083,1084,1085,
&end
#
# 31 GLU H 32 LEU HB2 5.16 (#peak 5075 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 5075, nxpk= 0, iat= 459, 478, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 32 LEU H 32 LEU HB2 3.78 (#peak 5076 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5076, nxpk= 0, iat= 474, 478, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 32 LEU HB2 33 GLY H 4.04 (#peak 5077 #SUP 0.71 #QF 0.71;)
&rst
ixpk= 5077, nxpk= 0, iat= 478, 493, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 100 ILE HG13 136 VAL H 4.78 (#peak 5079 #SUP 0.65 #QF 0.46;)
&rst
ixpk= 5079, nxpk= 0, iat=1522,2049, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 46 ALA QB 49 GLN H 5.34 (#peak 5081 #SUP 1.00;)
&rst
ixpk= 5081, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 686, 687, 688,
&end
#
# 46 ALA QB 50 ASP H 4.86 (#peak 5082 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 5082, nxpk= 0, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 686, 687, 688,
&end
#
# 46 ALA QB 47 GLU H 3.37 (#peak 5083 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5083, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 686, 687, 688,
&end
#
# 105 LEU H 105 LEU HB2 3.81 (#peak 5084 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5084, nxpk= 0, iat=1576,1580, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 116 LEU H 116 LEU HG 4.84 (#peak 5085 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 5085, nxpk= 0, iat=1760,1767, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 125 ILE H 125 ILE HG12 4.13 (#peak 5087 #SUP 0.99 #QF 0.94;)
&rst
ixpk= 5087, nxpk= 0, iat=1895,1905, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 44 THR QG2 45 GLU H 3.79 (#peak 5091 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5091, nxpk= 0, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 659, 660, 661,
&end
#
# 8 GLN HB2 12 PHE HZ 5.76 (#peak 5094 #SUP 0.88 #QF 0.82;)
&rst
ixpk= 5094, nxpk= 0, iat= 110, 179, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 100 ILE HG13 138 TYR H 6.39 (#peak 5094 #SUP 0.88 #QF 0.82;)
&rst
ixpk= 5094, nxpk= 0, iat=1522,2079, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, &end
#
# 100 ILE HG13 101 SER H 4.37 (#peak 5097 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 5097, nxpk= 0, iat=1522,1530, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 174 LYS H 174 LYS QG 4.67 (#peak 5098 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 5098, nxpk= 0, iat=2669, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2676,2677,
&end
#
# 100 ILE HG13 138 TYR QD 4.89 (#peak 5099 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 5099, nxpk= 0, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2087,2096,
&end
#
# 116 LEU HG 121 VAL H 5.42 (#peak 5100 #SUP 0.59 #QF 0.59;)
&rst
ixpk= 5100, nxpk= 0, iat=1767,1835, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 102 ALA QB 104 GLU H 4.87 (#peak 5101 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 5101, nxpk= 0, iat= -1,1561, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1545,1546,1547,
&end
#
# 116 LEU HG 117 THR H 3.97 (#peak 5102 #SUP 0.92 #QF 0.24;)
&rst
ixpk= 5102, nxpk= 0, iat=1767,1779, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 102 ALA QB 103 ALA H 3.55 (#peak 5103 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 5103, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1=1545,1546,1547,
&end
#
# 117 THR QG2 119 GLU H 4.20 (#peak 5104 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 5104, nxpk= 0, iat= -1,1805, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1785,1786,1787,
&end
#
# 102 ALA H 102 ALA QB 3.27 (#peak 5105 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5105, nxpk= 0, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1545,1546,1547,
&end
#
# 176 ALA QB 177 SER H 4.70 (#peak 5106 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 5106, nxpk= 0, iat= -1,2718, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=2712,2713,2714,
&end
#
# 8 GLN HB2 12 PHE QE 4.57 (#peak 5107 #SUP 0.77 #QF 0.69;)
&rst
ixpk= 5107, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 177, 181,
&end
#
# 176 ALA H 176 ALA QB 3.96 (#peak 5108 #SUP 0.64 #QF 0.64;)
&rst
ixpk= 5108, nxpk= 0, iat=2708, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=2712,2713,2714,
&end
#
# 28 THR QG2 29 THR H 3.26 (#peak 5109 #SUP 0.36 #QF 0.36;)
&rst
ixpk= 5109, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 415, 416, 417,
&end
#
# 72 MET H 72 MET HB2 4.25 (#peak 5110 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5110, nxpk= 0, iat=1062,1066, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 28 THR QG2 30 LYS H 4.17 (#peak 5111 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 5111, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 415, 416, 417,
&end
#
# 5 THR H 5 THR QG2 3.41 (#peak 5114 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 5114, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 68, 69, 70,
&end
#
# 5 THR QG2 8 GLN H 4.89 (#peak 5115 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 5115, nxpk= 0, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 68, 69, 70,
&end
#
# 168 LEU H 168 LEU HB2 4.05 (#peak 5116 #SUP 0.74 #QF 0.74;)
&rst
ixpk= 5116, nxpk= 0, iat=2560,2564, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 13 LYS HD3 65 PHE QE 5.18 (#peak 5118 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 5118, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 953, 957,
&end
#
# 157 ALA H 157 ALA QB 3.26 (#peak 5120 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5120, nxpk= 0, iat=2362, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=2366,2367,2368,
&end
#
# 156 SER H 157 ALA QB 4.88 (#peak 5121 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 5121, nxpk= 0, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=2366,2367,2368,
&end
#
# 112 LEU H 112 LEU HB2 4.32 (#peak 5123 #SUP 0.99 #QF 0.80;)
&rst
ixpk= 5123, nxpk= 0, iat=1697,1701, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 92 PHE HZ 157 ALA QB 3.71 (#peak 5124 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5124, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=2366,2367,2368,
&end
#
# 92 PHE QE 157 ALA QB 3.97 (#peak 5125 #SUP 1.00;)
&rst
ixpk= 5125, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1406,1410,
igr2=2366,2367,2368,
&end
#
# 114 GLU H 157 ALA QB 5.27 (#peak 5126 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 5126, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=2366,2367,2368,
&end
#
# 112 LEU HB2 113 GLY H 4.78 (#peak 5127 #SUP 1.00;)
&rst
ixpk= 5127, nxpk= 0, iat=1701,1716, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 113 GLY H 157 ALA QB 5.29 (#peak 5127 #SUP 1.00;)
&rst
ixpk= 5127, nxpk= 0, iat=1716, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=2366,2367,2368,
&end
#
# 154 GLU H 157 ALA QB 5.59 (#peak 5128 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 5128, nxpk= 0, iat=2320, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2=2366,2367,2368,
&end
#
# 110 THR QG2 121 VAL H 5.10 (#peak 5131 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 5131, nxpk= 0, iat= -1,1835, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1675,1676,1677,
&end
#
# 109 MET H 110 THR QG2 4.82 (#peak 5132 #SUP 0.69 #QF 0.69;)
&rst
ixpk= 5132, nxpk= 0, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1675,1676,1677,
&end
#
# 34 THR QG2 38 SER H 5.67 (#peak 5133 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 5133, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 506, 507, 508,
&end
#
# 19 PHE QD 34 THR QG2 3.92 (#peak 5135 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 5135, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 292, 300,
igr2= 506, 507, 508,
&end
#
# 19 PHE QE 34 THR QG2 3.38 (#peak 5136 #SUP 0.92 #QF 0.80;)
&rst
ixpk= 5136, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 294, 298,
igr2= 506, 507, 508,
&end
#
# 19 PHE HZ 34 THR QG2 3.74 (#peak 5136 #SUP 0.92 #QF 0.80;)
&rst
ixpk= 5136, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 506, 507, 508,
&end
#
# 79 THR QG2 80 ASP H 4.08 (#peak 5137 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 5137, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1192,1193,1194,
&end
#
# 79 THR H 79 THR QG2 3.71 (#peak 5138 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 5138, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1192,1193,1194,
&end
#
# 69 LEU HB3 73 ALA H 5.80 (#peak 5140 #SUP 0.97 #QF 0.74;)
&rst
ixpk= 5140, nxpk= 0, iat=1017,1079, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 68 PHE QD 72 MET HG3 5.38 (#peak 5143 #SUP 0.61 #QF 0.61;)
&rst
ixpk= 5143, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1000,1008,
&end
#
# 13 LYS HD2 65 PHE QE 5.18 (#peak 5144 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5144, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 953, 957,
&end
#
# 12 PHE QE 69 LEU HB3 6.48 (#peak 5146 #SUP 0.91 #QF 0.75;)
&rst
ixpk= 5146, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 177, 181,
&end
#
# 82 GLU H 146 THR QG2 5.75 (#peak 5147 #SUP 0.64 #QF 0.42;)
&rst
ixpk= 5147, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=2223,2224,2225,
&end
#
# 146 THR H 146 THR QG2 3.73 (#peak 5149 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 5149, nxpk= 0, iat=2217, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=2223,2224,2225,
&end
#
# 146 THR QG2 147 ALA H 4.62 (#peak 5150 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5150, nxpk= 0, iat= -1,2231, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=2223,2224,2225,
&end
#
# 68 PHE QE 72 MET HG3 4.21 (#peak 5156 #SUP 0.85 #QF 0.27;)
&rst
ixpk= 5156, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1002,1006,
&end
#
# 89 PHE QE 142 VAL QG2 4.58 (#peak 5157 #SUP 0.97 #QF 0.34;)
&rst
ixpk= 5157, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1346,1350,
igr2=2160,2161,2162,
&end
#
# 29 THR QG2 61 GLY H 4.64 (#peak 5159 #SUP 0.44 #QF 0.44;)
&rst
ixpk= 5159, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 429, 430, 431,
&end
#
# 29 THR QG2 63 ILE H 5.03 (#peak 5160 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5160, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 429, 430, 431,
&end
#
# 142 VAL H 142 VAL QG2 4.23 (#peak 5161 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 5161, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2160,2161,2162,
&end
#
# 29 THR H 29 THR QG2 3.27 (#peak 5162 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 5162, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 429, 430, 431,
&end
#
# 29 THR QG2 62 THR H 4.61 (#peak 5163 #SUP 0.88 #QF 0.69;)
&rst
ixpk= 5163, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 429, 430, 431,
&end
#
# 12 PHE QE 39 LEU QD2 4.55 (#peak 5168 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 5168, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 177, 181,
igr2= 595, 596, 597,
&end
#
# 100 ILE QG2 138 TYR H 4.50 (#peak 5171 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 5171, nxpk= 0, iat= -1,2079, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1517,1518,1519,
&end
#
# 39 LEU QD2 68 PHE HZ 4.25 (#peak 5172 #SUP 0.49 #QF 0.49;)
&rst
ixpk= 5172, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 595, 596, 597,
&end
#
# 100 ILE QG2 138 TYR QD 3.72 (#peak 5173 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5173, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1517,1518,1519,
igr2=2087,2096,
&end
#
# 100 ILE QG2 101 SER H 4.08 (#peak 5174 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5174, nxpk= 0, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1517,1518,1519,
&end
#
# 100 ILE QG2 136 VAL H 5.19 (#peak 5175 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 5175, nxpk= 0, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1517,1518,1519,
&end
#
# 100 ILE H 100 ILE QG2 3.96 (#peak 5176 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 5176, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1517,1518,1519,
&end
#
# 39 LEU QD2 68 PHE QE 5.05 (#peak 5178 #SUP 0.81 #QF 0.38;)
&rst
ixpk= 5178, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 595, 596, 597,
igr2=1002,1006,
&end
#
# 89 PHE QD 100 ILE QG2 5.34 (#peak 5178 #SUP 0.81 #QF 0.38;)
&rst
ixpk= 5178, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1344,1352,
igr2=1517,1518,1519,
&end
#
# 100 ILE QG2 138 TYR QE 4.07 (#peak 5179 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 5179, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1517,1518,1519,
igr2=2089,2094,
&end
#
# 9 ILE QG2 13 LYS H 4.99 (#peak 5183 #SUP 0.99 #QF 0.93;)
&rst
ixpk= 5183, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 129, 130, 131,
&end
#
# 9 ILE H 9 ILE QG2 4.03 (#peak 5184 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5184, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 129, 130, 131,
&end
#
# 9 ILE QG2 10 ALA H 3.84 (#peak 5186 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 5186, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 129, 130, 131,
&end
#
# 9 ILE QG2 65 PHE HZ 3.41 (#peak 5187 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 5187, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 129, 130, 131,
&end
#
# 9 ILE QG2 65 PHE QE 3.30 (#peak 5188 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 5188, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 129, 130, 131,
igr2= 953, 957,
&end
#
# 9 ILE QG2 65 PHE QD 4.26 (#peak 5189 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 5189, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 129, 130, 131,
igr2= 951, 959,
&end
#
# 159 VAL H 159 VAL QG2 4.04 (#peak 5190 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 5190, nxpk= 0, iat=2389, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2399,2400,2401,
&end
#
# 159 VAL QG2 160 ILE H 4.38 (#peak 5191 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 5191, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=2399,2400,2401,
&end
#
# 16 PHE QE 27 ILE HG12 3.48 (#peak 5196 #SUP 0.76 #QF 0.65;)
&rst
ixpk= 5196, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 244, 248,
&end
#
# 85 ILE QG2 86 ARG H 3.98 (#peak 5197 #SUP 0.52 #QF 0.52;)
&rst
ixpk= 5197, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1274,1275,1276,
&end
#
# 26 THR QG2 65 PHE H 4.26 (#peak 5200 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5200, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 382, 383, 384,
&end
#
# 29 THR H 62 THR QG2 4.20 (#peak 5201 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 5201, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 904, 905, 906,
&end
#
# 16 PHE HZ 27 ILE HG12 3.78 (#peak 5203 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 5203, nxpk= 0, iat= 246, 400, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 16 PHE QD 27 ILE HG12 4.68 (#peak 5204 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 5204, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 242, 250,
&end
#
# 27 ILE H 27 ILE HG12 3.45 (#peak 5205 #SUP 0.98 #QF 0.97;)
&rst
ixpk= 5205, nxpk= 0, iat= 390, 400, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 85 ILE H 85 ILE QG2 4.24 (#peak 5206 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 5206, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1274,1275,1276,
&end
#
# 68 PHE QE 72 MET HG2 4.21 (#peak 5209 #SUP 0.95 #QF 0.80;)
&rst
ixpk= 5209, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1002,1006,
&end
#
# 85 ILE QG2 89 PHE QE 3.53 (#peak 5210 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 5210, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1274,1275,1276,
igr2=1346,1350,
&end
#
# 116 LEU H 116 LEU QD2 4.83 (#peak 5211 #SUP 0.94 #QF 0.83;)
&rst
ixpk= 5211, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1773,1774,1775,
&end
#
# 121 VAL H 121 VAL QG1 4.27 (#peak 5216 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 5216, nxpk= 0, iat=1835, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1841,1842,1843,
&end
#
# 121 VAL QG1 122 ASP H 4.73 (#peak 5217 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 5217, nxpk= 0, iat= -1,1851, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1841,1842,1843,
&end
#
# 155 VAL H 155 VAL QG2 3.27 (#peak 5219 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 5219, nxpk= 0, iat=2335, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2345,2346,2347,
&end
#
# 152 SER H 155 VAL QG2 4.70 (#peak 5221 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 5221, nxpk= 0, iat=2294, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=2345,2346,2347,
&end
#
# 155 VAL QG2 156 SER H 3.97 (#peak 5222 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 5222, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=2345,2346,2347,
&end
#
# 85 ILE QG2 88 ALA H 5.57 (#peak 5224 #SUP 0.85 #QF 0.29;)
&rst
ixpk= 5224, nxpk= 0, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1274,1275,1276,
&end
#
# 164 PHE QE 168 LEU HG 5.89 (#peak 5224 #SUP 0.85 #QF 0.29;)
&rst
ixpk= 5224, nxpk= 0, iat= -1,2567, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2485,2489,
&end
#
# 164 PHE QD 168 LEU HG 5.21 (#peak 5226 #SUP 0.99 #QF 0.22;)
&rst
ixpk= 5226, nxpk= 0, iat= -1,2567, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=2483,2491,
&end
#
# 116 LEU QD2 117 THR H 4.73 (#peak 5227 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 5227, nxpk= 0, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1773,1774,1775,
&end
#
# 39 LEU H 39 LEU QD1 4.16 (#peak 5234 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 5234, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 591, 592, 593,
&end
#
# 12 PHE QE 39 LEU QD1 4.55 (#peak 5235 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 5235, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 177, 181,
igr2= 591, 592, 593,
&end
#
# 12 PHE QD 39 LEU QD1 3.76 (#peak 5236 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 5236, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 175, 183,
igr2= 591, 592, 593,
&end
#
# 39 LEU QD1 68 PHE QE 5.05 (#peak 5237 #SUP 0.94 #QF 0.83;)
&rst
ixpk= 5237, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 591, 592, 593,
igr2=1002,1006,
&end
#
# 68 PHE QD 72 MET HG2 5.38 (#peak 5239 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 5239, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1000,1008,
&end
#
# 12 PHE QD 69 LEU HG 5.38 (#peak 5243 #SUP 0.61 #QF 0.33;)
&rst
ixpk= 5243, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 175, 183,
&end
#
# 65 PHE QE 69 LEU HG 5.68 (#peak 5243 #SUP 0.61 #QF 0.33;)
&rst
ixpk= 5243, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 953, 957,
&end
#
# 89 PHE QE 142 VAL QG1 4.58 (#peak 5244 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5244, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1346,1350,
igr2=2156,2157,2158,
&end
#
# 142 VAL H 142 VAL QG1 4.23 (#peak 5245 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5245, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2156,2157,2158,
&end
#
# 68 PHE QE 69 LEU HG 4.42 (#peak 5246 #SUP 0.67 #QF 0.46;)
&rst
ixpk= 5246, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1002,1006,
&end
#
# 89 PHE QD 142 VAL QG1 4.98 (#peak 5246 #SUP 0.67 #QF 0.46;)
&rst
ixpk= 5246, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=1344,1352,
igr2=2156,2157,2158,
&end
#
# 142 VAL QG1 143 GLN H 4.78 (#peak 5249 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 5249, nxpk= 0, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=2156,2157,2158,
&end
#
# 121 VAL H 121 VAL QG2 4.27 (#peak 5250 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 5250, nxpk= 0, iat=1835, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1845,1846,1847,
&end
#
# 121 VAL QG2 122 ASP H 4.73 (#peak 5253 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 5253, nxpk= 0, iat= -1,1851, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1845,1846,1847,
&end
#
# 155 VAL H 155 VAL QG1 3.82 (#peak 5257 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 5257, nxpk= 0, iat=2335, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=2341,2342,2343,
&end
#
# 154 GLU H 155 VAL QG1 4.83 (#peak 5258 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 5258, nxpk= 0, iat=2320, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2341,2342,2343,
&end
#
# 9 ILE QG1 12 PHE QE 4.58 (#peak 5259 #SUP 0.41 #QF 0.41;)
&rst
ixpk= 5259, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 133, 134,
igr2= 177, 181,
&end
#
# 6 GLU H 9 ILE QG1 5.49 (#peak 5260 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 5260, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 133, 134,
&end
#
# 69 LEU H 69 LEU HG 3.60 (#peak 5262 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5262, nxpk= 0, iat=1012,1019, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 68 PHE QD 69 LEU HG 4.62 (#peak 5265 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 5265, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1000,1008,
&end
#
# 8 GLN H 9 ILE QG1 4.97 (#peak 5266 #SUP 0.96 #QF 0.54;)
&rst
ixpk= 5266, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 133, 134,
&end
#
# 65 PHE QD 69 LEU HG 4.73 (#peak 5267 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 5267, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 951, 959,
&end
#
# 9 ILE QG1 12 PHE QD 4.30 (#peak 5268 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 5268, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 133, 134,
igr2= 175, 183,
&end
#
# 9 ILE H 9 ILE QG1 4.02 (#peak 5269 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 5269, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 133, 134,
&end
#
# 9 ILE QG1 10 ALA H 4.88 (#peak 5270 #SUP 0.63 #QF 0.63;)
&rst
ixpk= 5270, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 133, 134,
&end
#
# 92 PHE QE 112 LEU QD1 4.67 (#peak 5274 #SUP 0.98 #QF 0.55;)
&rst
ixpk= 5274, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1406,1410,
igr2=1706,1707,1708,
&end
#
# 15 ALA H 18 LEU QD2 5.37 (#peak 5278 #SUP 0.84 #QF 0.48;)
&rst
ixpk= 5278, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 278, 279, 280,
&end
#
# 18 LEU QD2 19 PHE H 4.26 (#peak 5280 #SUP 0.47 #QF 0.47;)
&rst
ixpk= 5280, nxpk= 0, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 278, 279, 280,
&end
#
# 89 PHE QE 100 ILE QD1 4.81 (#peak 5281 #SUP 0.94 #QF 0.92;)
&rst
ixpk= 5281, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1346,1350,
igr2=1524,1525,1526,
&end
#
# 100 ILE QD1 101 SER H 4.65 (#peak 5282 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 5282, nxpk= 0, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1524,1525,1526,
&end
#
# 100 ILE QD1 105 LEU H 4.81 (#peak 5284 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 5284, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1524,1525,1526,
&end
#
# 32 LEU QD1 35 VAL H 6.02 (#peak 5286 #SUP 0.86 #QF 0.45;)
&rst
ixpk= 5286, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 483, 484, 485,
&end
#
# 4 LEU QD2 12 PHE HZ 4.81 (#peak 5288 #SUP 0.97 #QF 0.76;)
&rst
ixpk= 5288, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 56, 57, 58,
&end
#
# 89 PHE QD 100 ILE QD1 3.43 (#peak 5289 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 5289, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1344,1352,
igr2=1524,1525,1526,
&end
#
# 100 ILE QD1 138 TYR QD 3.94 (#peak 5291 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5291, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1524,1525,1526,
igr2=2087,2096,
&end
#
# 111 ASN HD22 112 LEU QD1 5.74 (#peak 5293 #SUP 0.80 #QF 0.53;)
&rst
ixpk= 5293, nxpk= 0, iat=1693, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2=1706,1707,1708,
&end
#
# 111 ASN HD22 112 LEU QD2 5.74 (#peak 5293 #SUP 0.80 #QF 0.53;)
&rst
ixpk= 5293, nxpk= 0, iat=1693, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2=1710,1711,1712,
&end
#
# 172 SER H 173 LEU QD2 5.01 (#peak 5294 #SUP 0.88 #QF 0.84;)
&rst
ixpk= 5294, nxpk= 0, iat=2639, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=2663,2664,2665,
&end
#
# 4 LEU QD2 5 THR H 4.83 (#peak 5295 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 5295, nxpk= 0, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 56, 57, 58,
&end
#
# 4 LEU QD2 12 PHE QE 3.52 (#peak 5296 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 5296, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 56, 57, 58,
igr2= 177, 181,
&end
#
# 4 LEU QD2 12 PHE QD 4.32 (#peak 5297 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 5297, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 56, 57, 58,
igr2= 175, 183,
&end
#
# 18 LEU H 18 LEU QD2 3.92 (#peak 5299 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 5299, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 278, 279, 280,
&end
#
# 18 LEU QD2 19 PHE QD 3.72 (#peak 5300 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 5300, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 278, 279, 280,
igr2= 292, 300,
&end
#
# 18 LEU QD2 19 PHE QE 5.00 (#peak 5301 #SUP 0.99 #QF 0.36;)
&rst
ixpk= 5301, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 278, 279, 280,
igr2= 294, 298,
&end
#
# 169 LEU QQD 170 GLN H 4.63 (#peak 5302 #SUP 0.58 #QF 0.58;)
&rst
ixpk= 5302, nxpk= 0, iat= -1,2598, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=2588,2589,2590,2592,2593,2594,
&end
#
# 125 ILE QG2 129 ASP H 4.75 (#peak 5303 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 5303, nxpk= 0, iat= -1,1963, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1901,1902,1903,
&end
#
# 125 ILE QG2 126 ARG H 4.21 (#peak 5304 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 5304, nxpk= 0, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1901,1902,1903,
&end
#
# 173 LEU H 173 LEU QD2 4.04 (#peak 5306 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 5306, nxpk= 0, iat=2650, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2663,2664,2665,
&end
#
# 63 ILE H 63 ILE QD1 4.63 (#peak 5309 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 5309, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 925, 926, 927,
&end
#
# 63 ILE QD1 68 PHE H 5.91 (#peak 5310 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 5310, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 925, 926, 927,
&end
#
# 4 LEU H 4 LEU QD1 5.16 (#peak 5311 #SUP 0.94 #QF 0.88;)
&rst
ixpk= 5311, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 52, 53, 54,
&end
#
# 32 LEU H 63 ILE QD1 5.01 (#peak 5312 #SUP 0.72 #QF 0.72;)
&rst
ixpk= 5312, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 925, 926, 927,
&end
#
# 115 LYS H 115 LYS HG2 3.74 (#peak 5314 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5314, nxpk= 0, iat=1738,1745, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 173 LEU QD2 174 LYS H 5.50 (#peak 5315 #SUP 0.56 #QF 0.31;)
&rst
ixpk= 5315, nxpk= 0, iat= -1,2669, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2663,2664,2665,
&end
#
# 4 LEU QD1 12 PHE QE 3.52 (#peak 5317 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 5317, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 52, 53, 54,
igr2= 177, 181,
&end
#
# 4 LEU QD1 12 PHE HZ 4.81 (#peak 5318 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5318, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 52, 53, 54,
&end
#
# 4 LEU QD1 12 PHE QD 4.32 (#peak 5319 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 5319, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 52, 53, 54,
igr2= 175, 183,
&end
#
# 4 LEU QD1 5 THR H 4.83 (#peak 5321 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 5321, nxpk= 0, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 52, 53, 54,
&end
#
# 105 LEU H 105 LEU QD1 4.51 (#peak 5326 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5326, nxpk= 0, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1585,1586,1587,
&end
#
# 49 GLN H 52 ILE QD1 5.19 (#peak 5329 #SUP 1.00 #QF 0.56;)
&rst
ixpk= 5329, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 785, 786, 787,
&end
#
# 32 LEU H 52 ILE QD1 4.97 (#peak 5332 #SUP 0.71 #QF 0.71;)
&rst
ixpk= 5332, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 785, 786, 787,
&end
#
# 89 PHE QE 105 LEU QD1 4.37 (#peak 5335 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 5335, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=1346,1350,
igr2=1585,1586,1587,
&end
#
# 91 VAL H 91 VAL QG1 3.99 (#peak 5339 #SUP 0.98 #QF 0.96;)
&rst
ixpk= 5339, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1386,1387,1388,
&end
#
# 52 ILE QD1 53 ASN H 5.35 (#peak 5340 #SUP 0.99 #QF 0.98;)
&rst
ixpk= 5340, nxpk= 0, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 785, 786, 787,
&end
#
# 50 ASP H 52 ILE QD1 6.65 (#peak 5341 #SUP 0.98 #QF 0.25;)
&rst
ixpk= 5341, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr2= 785, 786, 787,
&end
#
# 5 THR H 9 ILE QD1 5.00 (#peak 5344 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 5344, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 136, 137, 138,
&end
#
# 9 ILE H 9 ILE QD1 3.76 (#peak 5345 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 5345, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 136, 137, 138,
&end
#
# 8 GLN H 9 ILE QD1 5.09 (#peak 5346 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 5346, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 136, 137, 138,
&end
#
# 9 ILE QD1 12 PHE QD 5.81 (#peak 5347 #SUP 0.98 #QF 0.89;)
&rst
ixpk= 5347, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 136, 137, 138,
igr2= 175, 183,
&end
#
# 9 ILE QD1 65 PHE QE 6.16 (#peak 5347 #SUP 0.98 #QF 0.89;)
&rst
ixpk= 5347, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 136, 137, 138,
igr2= 953, 957,
&end
#
# 6 GLU H 9 ILE QD1 4.87 (#peak 5348 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 5348, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 136, 137, 138,
&end
#
# 159 VAL H 159 VAL QG1 4.04 (#peak 5349 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 5349, nxpk= 0, iat=2389, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2395,2396,2397,
&end
#
# 9 ILE QD1 10 ALA H 4.90 (#peak 5350 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 5350, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 136, 137, 138,
&end
#
# 27 ILE H 27 ILE HG13 4.13 (#peak 5351 #SUP 0.95 #QF 0.77;)
&rst
ixpk= 5351, nxpk= 0, iat= 390, 401, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 164 PHE QE 168 LEU QD2 4.28 (#peak 5352 #SUP 0.98 #QF 0.41;)
&rst
ixpk= 5352, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=2485,2489,
igr2=2573,2574,2575,
&end
#
# 167 HIS HD2 168 LEU QD2 4.56 (#peak 5353 #SUP 0.71 #QF 0.71;)
&rst
ixpk= 5353, nxpk= 0, iat=2556, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2573,2574,2575,
&end
#
# 116 LEU QD1 164 PHE QD 4.57 (#peak 5354 #SUP 0.99 #QF 0.79;)
&rst
ixpk= 5354, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1769,1770,1771,
igr2=2483,2491,
&end
#
# 27 ILE HG13 28 THR H 4.76 (#peak 5356 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5356, nxpk= 0, iat= 401, 409, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 84 GLU H 85 ILE QD1 4.74 (#peak 5358 #SUP 0.85 #QF 0.73;)
&rst
ixpk= 5358, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1281,1282,1283,
&end
#
# 116 LEU QD1 117 THR H 4.73 (#peak 5360 #SUP 0.66 #QF 0.66;)
&rst
ixpk= 5360, nxpk= 0, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1769,1770,1771,
&end
#
# 85 ILE H 85 ILE QD1 3.74 (#peak 5363 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 5363, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1281,1282,1283,
&end
#
# 16 PHE QE 27 ILE HG13 4.06 (#peak 5366 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 5366, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 244, 248,
&end
#
# 13 LYS H 13 LYS HG2 5.15 (#peak 5367 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 5367, nxpk= 0, iat= 187, 194, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 128 ALA H 128 ALA QB 4.12 (#peak 5368 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 5368, nxpk= 0, iat=1953, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1957,1958,1959,
&end
#
# 18 LEU QD1 19 PHE H 4.20 (#peak 5369 #SUP 0.98 #QF 0.40;)
&rst
ixpk= 5369, nxpk= 0, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 274, 275, 276,
&end
#
# 27 ILE HG13 32 LEU H 5.31 (#peak 5370 #SUP 0.97 #QF 0.96;)
&rst
ixpk= 5370, nxpk= 0, iat= 401, 474, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 18 LEU QD1 19 PHE QD 4.02 (#peak 5371 #SUP 0.93 #QF 0.90;)
&rst
ixpk= 5371, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 274, 275, 276,
igr2= 292, 300,
&end
#
# 164 PHE HZ 168 LEU QD2 4.41 (#peak 5371 #SUP 0.93 #QF 0.90;)
&rst
ixpk= 5371, nxpk= 0, iat=2487, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2573,2574,2575,
&end
#
# 128 ALA QB 141 PHE HZ 4.95 (#peak 5372 #SUP 0.61 #QF 0.61;)
&rst
ixpk= 5372, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1957,1958,1959,
&end
#
# 18 LEU QD1 19 PHE QE 4.71 (#peak 5373 #SUP 0.99 #QF 0.80;)
&rst
ixpk= 5373, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 274, 275, 276,
igr2= 294, 298,
&end
#
# 128 ALA QB 141 PHE QD 5.28 (#peak 5373 #SUP 0.99 #QF 0.80;)
&rst
ixpk= 5373, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1=1957,1958,1959,
igr2=2138,2146,
&end
#
# 69 LEU QD2 70 THR H 5.33 (#peak 5375 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 5375, nxpk= 0, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1025,1026,1027,
&end
#
# 65 PHE QD 69 LEU QD2 4.48 (#peak 5377 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 5377, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 951, 959,
igr2=1025,1026,1027,
&end
#
# 12 PHE QD 69 LEU QD2 3.14 (#peak 5379 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 5379, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 175, 183,
igr2=1025,1026,1027,
&end
#
# 68 PHE QD 69 LEU QD2 3.80 (#peak 5380 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 5380, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1000,1008,
igr2=1025,1026,1027,
&end
#
# 105 LEU H 105 LEU QD2 4.51 (#peak 5382 #SUP 1.00;)
&rst
ixpk= 5382, nxpk= 0, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1589,1590,1591,
&end
#
# 35 VAL H 35 VAL QG2 4.07 (#peak 5389 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5389, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 524, 525, 526,
&end
#
# 19 PHE QD 35 VAL QG2 3.79 (#peak 5390 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 5390, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 292, 300,
igr2= 524, 525, 526,
&end
#
# 19 PHE QE 35 VAL QG2 4.66 (#peak 5391 #SUP 0.88 #QF 0.85;)
&rst
ixpk= 5391, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 294, 298,
igr2= 524, 525, 526,
&end
#
# 68 PHE QE 69 LEU QD2 3.46 (#peak 5392 #SUP 0.70 #QF 0.26;)
&rst
ixpk= 5392, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1002,1006,
igr2=1025,1026,1027,
&end
#
# 16 PHE QD 35 VAL QG2 4.67 (#peak 5394 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 5394, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 242, 250,
igr2= 524, 525, 526,
&end
#
# 68 PHE QD 69 LEU QD1 4.84 (#peak 5395 #SUP 0.95 #QF 0.89;)
&rst
ixpk= 5395, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1000,1008,
igr2=1021,1022,1023,
&end
#
# 136 VAL QG2 137 ASN H 4.61 (#peak 5396 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 5396, nxpk= 0, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=2059,2060,2061,
&end
#
# 100 ILE H 136 VAL QG2 4.94 (#peak 5398 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 5398, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2059,2060,2061,
&end
#
# 129 ASP H 136 VAL QG2 6.23 (#peak 5400 #SUP 0.72 #QF 0.72;)
&rst
ixpk= 5400, nxpk= 0, iat=1963, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr2=2059,2060,2061,
&end
#
# 69 LEU QD1 70 THR H 5.07 (#peak 5401 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 5401, nxpk= 0, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1021,1022,1023,
&end
#
# 65 PHE HZ 69 LEU QD1 4.12 (#peak 5402 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5402, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1021,1022,1023,
&end
#
# 65 PHE QE 69 LEU QD1 3.32 (#peak 5403 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 5403, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 953, 957,
igr2=1021,1022,1023,
&end
#
# 65 PHE QD 69 LEU QD1 3.84 (#peak 5404 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 5404, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 951, 959,
igr2=1021,1022,1023,
&end
#
# 108 VAL H 108 VAL QG2 3.96 (#peak 5409 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 5409, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1646,1647,1648,
&end
#
# 92 PHE HZ 108 VAL QG2 4.87 (#peak 5413 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 5413, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1646,1647,1648,
&end
#
# 92 PHE QD 108 VAL QG2 3.94 (#peak 5414 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5414, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1404,1412,
igr2=1646,1647,1648,
&end
#
# 92 PHE QE 108 VAL QG2 3.92 (#peak 5415 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5415, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1406,1410,
igr2=1646,1647,1648,
&end
#
# 141 PHE QD 160 ILE QG2 5.06 (#peak 5417 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5417, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=2138,2146,
igr2=2411,2412,2413,
&end
#
# 89 PHE QD 160 ILE QG2 4.80 (#peak 5418 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 5418, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1344,1352,
igr2=2411,2412,2413,
&end
#
# 89 PHE QE 160 ILE QG2 3.64 (#peak 5419 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 5419, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1346,1350,
igr2=2411,2412,2413,
&end
#
# 160 ILE QG2 164 PHE H 4.76 (#peak 5420 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5420, nxpk= 0, iat= -1,2475, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=2411,2412,2413,
&end
#
# 160 ILE QG2 161 GLN H 4.40 (#peak 5421 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 5421, nxpk= 0, iat= -1,2424, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=2411,2412,2413,
&end
#
# 125 ILE QD1 128 ALA H 5.94 (#peak 5422 #SUP 0.82 #QF 0.32;)
&rst
ixpk= 5422, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1=1908,1909,1910,
&end
#
# 160 ILE QG2 163 ALA H 6.16 (#peak 5422 #SUP 0.82 #QF 0.32;)
&rst
ixpk= 5422, nxpk= 0, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1=2411,2412,2413,
&end
#
# 141 PHE QE 160 ILE QG2 4.09 (#peak 5423 #SUP 1.00 #QF 0.81;)
&rst
ixpk= 5423, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=2140,2144,
igr2=2411,2412,2413,
&end
#
# 105 LEU H 125 ILE QD1 5.55 (#peak 5425 #SUP 0.70 #QF 0.39;)
&rst
ixpk= 5425, nxpk= 0, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2=1908,1909,1910,
&end
#
# 106 ARG H 125 ILE QD1 4.34 (#peak 5426 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 5426, nxpk= 0, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1908,1909,1910,
&end
#
# 125 ILE H 125 ILE QD1 4.23 (#peak 5427 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 5427, nxpk= 0, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1908,1909,1910,
&end
#
# 136 VAL QG1 141 PHE QE 5.53 (#peak 5428 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 5428, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1=2055,2056,2057,
igr2=2140,2144,
&end
#
# 89 PHE QE 136 VAL QG1 5.33 (#peak 5429 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 5429, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1=1346,1350,
igr2=2055,2056,2057,
&end
#
# 136 VAL QG1 137 ASN H 3.94 (#peak 5430 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 5430, nxpk= 0, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=2055,2056,2057,
&end
#
# 136 VAL H 136 VAL QG1 4.35 (#peak 5431 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5431, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=2055,2056,2057,
&end
#
# 100 ILE H 136 VAL QG1 5.08 (#peak 5432 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5432, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=2055,2056,2057,
&end
#
# 136 VAL QG1 141 PHE QD 4.64 (#peak 5434 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 5434, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=2055,2056,2057,
igr2=2138,2146,
&end
#
# 99 TYR QD 136 VAL QG1 5.41 (#peak 5435 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 5435, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1=1498,1507,
igr2=2055,2056,2057,
&end
#
# 136 VAL QG1 138 TYR QD 4.64 (#peak 5436 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 5436, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=2055,2056,2057,
igr2=2087,2096,
&end
#
# 35 VAL QG1 36 MET H 4.20 (#peak 5437 #SUP 1.00;)
&rst
ixpk= 5437, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 520, 521, 522,
&end
#
# 35 VAL H 35 VAL QG1 4.07 (#peak 5438 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5438, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 520, 521, 522,
&end
#
# 19 PHE QE 35 VAL QG1 4.66 (#peak 5441 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5441, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 294, 298,
igr2= 520, 521, 522,
&end
#
# 16 PHE QD 35 VAL QG1 4.67 (#peak 5444 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 5444, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 242, 250,
igr2= 520, 521, 522,
&end
#
# 108 VAL H 108 VAL QG1 3.96 (#peak 5446 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 5446, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1642,1643,1644,
&end
#
# 108 VAL QG1 109 MET H 4.32 (#peak 5447 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 5447, nxpk= 0, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1642,1643,1644,
&end
#
# 92 PHE HZ 108 VAL QG1 4.87 (#peak 5449 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5449, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1642,1643,1644,
&end
#
# 92 PHE QD 108 VAL QG1 3.94 (#peak 5450 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5450, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1404,1412,
igr2=1642,1643,1644,
&end
#
# 92 PHE QE 108 VAL QG1 3.92 (#peak 5451 #SUP 1.00;)
&rst
ixpk= 5451, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1406,1410,
igr2=1642,1643,1644,
&end
#
# 27 ILE H 27 ILE QD1 4.55 (#peak 5454 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 5454, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 403, 404, 405,
&end
#
# 27 ILE QD1 35 VAL H 4.89 (#peak 5455 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 5455, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 403, 404, 405,
&end
#
# 19 PHE QD 27 ILE QD1 5.03 (#peak 5456 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 5456, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 292, 300,
igr2= 403, 404, 405,
&end
#
# 27 ILE QD1 68 PHE QE 5.24 (#peak 5457 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 5457, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 403, 404, 405,
igr2=1002,1006,
&end
#
# 27 ILE QD1 68 PHE QD 4.45 (#peak 5458 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 5458, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 403, 404, 405,
igr2=1000,1008,
&end
#
# 16 PHE QE 27 ILE QD1 3.86 (#peak 5459 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 5459, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 244, 248,
igr2= 403, 404, 405,
&end
#
# 16 PHE HZ 27 ILE QD1 4.79 (#peak 5460 #SUP 0.98 #QF 0.95;)
&rst
ixpk= 5460, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 403, 404, 405,
&end
#
# 16 PHE QD 27 ILE QD1 4.05 (#peak 5461 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 5461, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 242, 250,
igr2= 403, 404, 405,
&end
#
# 91 VAL QG2 92 PHE H 4.34 (#peak 5463 #SUP 0.98 #QF 0.64;)
&rst
ixpk= 5463, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1390,1391,1392,
&end
#
# 91 VAL H 91 VAL QG2 3.99 (#peak 5464 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 5464, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1390,1391,1392,
&end
#
# 89 PHE QE 160 ILE HG12 4.85 (#peak 5467 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5467, nxpk= 0, iat= -1,2415, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1346,1350,
&end
#
# 160 ILE H 160 ILE HG12 4.28 (#peak 5468 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5468, nxpk= 0, iat=2405,2415, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 27 ILE H 27 ILE QG2 4.21 (#peak 5471 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 5471, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 396, 397, 398,
&end
#
# 16 PHE HZ 27 ILE QG2 3.98 (#peak 5473 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5473, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 396, 397, 398,
&end
#
# 16 PHE QE 27 ILE QG2 3.89 (#peak 5474 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 5474, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 244, 248,
igr2= 396, 397, 398,
&end
#
# 27 ILE QG2 28 THR H 4.02 (#peak 5475 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 5475, nxpk= 0, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 396, 397, 398,
&end
#
# 20 ASP H 27 ILE QG2 3.95 (#peak 5476 #SUP 0.76 #QF 0.76;)
&rst
ixpk= 5476, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 396, 397, 398,
&end
#
# 16 PHE QD 27 ILE QG2 4.28 (#peak 5477 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 5477, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 242, 250,
igr2= 396, 397, 398,
&end
#
# 160 ILE QD1 161 GLN H 4.79 (#peak 5479 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 5479, nxpk= 0, iat= -1,2424, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=2418,2419,2420,
&end
#
# 89 PHE H 160 ILE QD1 4.44 (#peak 5480 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 5480, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2418,2419,2420,
&end
#
# 92 PHE QD 160 ILE QD1 3.73 (#peak 5482 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 5482, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1404,1412,
igr2=2418,2419,2420,
&end
#
# 89 PHE QD 160 ILE QD1 3.93 (#peak 5483 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 5483, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1344,1352,
igr2=2418,2419,2420,
&end
#
# 89 PHE QE 160 ILE QD1 4.06 (#peak 5484 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 5484, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1346,1350,
igr2=2418,2419,2420,
&end
#
# 88 ALA H 160 ILE QD1 5.93 (#peak 5485 #SUP 0.94 #QF 0.91;)
&rst
ixpk= 5485, nxpk= 0, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2=2418,2419,2420,
&end
#
# 158 MET H 160 ILE QD1 6.50 (#peak 5485 #SUP 0.94 #QF 0.91;)
&rst
ixpk= 5485, nxpk= 0, iat=2372, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=2418,2419,2420,
&end
#
# 92 PHE HZ 160 ILE QD1 4.62 (#peak 5486 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 5486, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=2418,2419,2420,
&end
#
# 92 PHE QE 160 ILE QD1 3.66 (#peak 5487 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 5487, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1406,1410,
igr2=2418,2419,2420,
&end
#
# 64 ASP HA 65 PHE HA 5.07 (#peak 5492 #SUP 0.99 #QF 0.93;)
&rst
ixpk= 5492, nxpk= 0, iat= 933, 945, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 64 ASP HA 66 PRO HD2 5.27 (#peak 5492 #SUP 0.99 #QF 0.93;)
&rst
ixpk= 5492, nxpk= 0, iat= 933, 964, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 26 THR HA 62 THR HB 5.79 (#peak 5494 #SUP 0.70 #QF 0.70;)
&rst
ixpk= 5494, nxpk= 0, iat= 378, 902, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 26 THR HB 64 ASP HA 4.94 (#peak 5495 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 5495, nxpk= 0, iat= 380, 933, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 99 TYR HA 137 ASN HA 4.21 (#peak 5496 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5496, nxpk= 0, iat=1492,2067, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 26 THR HA 64 ASP HA 3.70 (#peak 5498 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 5498, nxpk= 0, iat= 378, 933, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 62 THR HA 63 ILE H 3.35 (#peak 5499 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 5499, nxpk= 0, iat= 900, 912, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 28 THR HA 62 THR HA 3.43 (#peak 5500 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 5500, nxpk= 0, iat= 411, 900, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 26 THR QG2 64 ASP HA 3.41 (#peak 5501 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 5501, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 382, 383, 384,
&end
#
# 26 THR HA 26 THR QG2 3.28 (#peak 5502 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 5502, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 382, 383, 384,
&end
#
# 62 THR HA 62 THR QG2 3.11 (#peak 5503 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 5503, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 904, 905, 906,
&end
#
# 28 THR HA 62 THR QG2 3.42 (#peak 5504 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 5504, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 904, 905, 906,
&end
#
# 2 ASP H 3 GLN QB 3.75 (#peak 4742;)
&rst
ixpk= 4742, nxpk= 0, iat= 14, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 30, 31,
&end
#
# 3 GLN QB 4 LEU H 3.80 (#peak 4813;)
&rst
ixpk= 4813, nxpk= 0, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 30, 31,
&end
#
# 4 LEU H 4 LEU QB 3.21 (#peak 4955;)
&rst
ixpk= 4955, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 47, 48,
&end
#
# 4 LEU H 4 LEU QQD 4.21 (#peak 5311;)
&rst
ixpk= 5311, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 4 LEU HA 4 LEU QQD 3.22 (#peak 821;)
&rst
ixpk= 821, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 4 LEU QB 5 THR H 4.04 (#peak 834;)
&rst
ixpk= 834, nxpk= 0, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 47, 48,
&end
#
# 4 LEU QB 8 GLN HB3 5.38 (#peak 736;)
&rst
ixpk= 736, nxpk= 0, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 47, 48,
&end
#
# 4 LEU QB 9 ILE QD1 4.17 (#peak 823;)
&rst
ixpk= 823, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 47, 48,
igr2= 136, 137, 138,
&end
#
# 4 LEU QQD 5 THR H 3.77 (#peak 5321;)
&rst
ixpk= 5321, nxpk= 0, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 4 LEU QQD 8 GLN QG 4.88 (#peak 827;)
&rst
ixpk= 827, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
igr1= 52, 53, 54, 56, 57, 58,
igr2= 113, 114,
&end
#
# 4 LEU QQD 8 GLN QE2 4.07 (#peak 5316;)
&rst
ixpk= 5316, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 52, 53, 54, 56, 57, 58,
igr2= 118, 119,
&end
#
# 4 LEU QQD 12 PHE HB3 5.24 (#peak 779;)
&rst
ixpk= 779, nxpk= 0, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 4 LEU QQD 12 PHE QD 3.43 (#peak 5297;)
&rst
ixpk= 5297, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 52, 53, 54, 56, 57, 58,
igr2= 175, 183,
&end
#
# 4 LEU QQD 12 PHE QE 3.07 (#peak 5317;)
&rst
ixpk= 5317, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 52, 53, 54, 56, 57, 58,
igr2= 177, 181,
&end
#
# 4 LEU QQD 12 PHE HZ 3.85 (#peak 5318;)
&rst
ixpk= 5318, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 4 LEU QQD 69 LEU HA 4.34 (#peak 1711;)
&rst
ixpk= 1711, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 4 LEU QQD 69 LEU HB3 4.05 (#peak 1712;)
&rst
ixpk= 1712, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 4 LEU QQD 73 ALA H 3.81 (#peak 5285;)
&rst
ixpk= 5285, nxpk= 0, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 4 LEU QQD 73 ALA HA 3.81 (#peak 1774;)
&rst
ixpk= 1774, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 4 LEU QQD 73 ALA QB 3.69 (#peak 72;)
&rst
ixpk= 72, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 52, 53, 54, 56, 57, 58,
igr2=1083,1084,1085,
&end
#
# 4 LEU QQD 76 MET QG 4.39 (#peak 831;)
&rst
ixpk= 831, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 52, 53, 54, 56, 57, 58,
igr2=1142,1143,
&end
#
# 4 LEU QQD 76 MET QE 3.44 (#peak 830;)
&rst
ixpk= 830, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 52, 53, 54, 56, 57, 58,
igr2=1146,1147,1148,
&end
#
# 5 THR H 8 GLN QG 4.38 (#peak 4683;)
&rst
ixpk= 4683, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 113, 114,
&end
#
# 5 THR HA 6 GLU QG 4.61 (#peak 528;)
&rst
ixpk= 528, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 83, 84,
&end
#
# 5 THR QG2 8 GLN QG 4.76 (#peak 177;)
&rst
ixpk= 177, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 68, 69, 70,
igr2= 113, 114,
&end
#
# 6 GLU H 6 GLU QG 3.53 (#peak 4619;)
&rst
ixpk= 4619, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 83, 84,
&end
#
# 6 GLU QG 9 ILE QD1 4.27 (#peak 22;)
&rst
ixpk= 22, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 83, 84,
igr2= 136, 137, 138,
&end
#
# 7 GLU H 7 GLU QG 3.73 (#peak 315;)
&rst
ixpk= 315, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 98, 99,
&end
#
# 7 GLU HA 7 GLU QG 3.77 (#peak 848;)
&rst
ixpk= 848, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 98, 99,
&end
#
# 7 GLU QB 8 GLN H 4.12 (#peak 143;)
&rst
ixpk= 143, nxpk= 0, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 95, 96,
&end
#
# 7 GLU QG 8 GLN H 3.37 (#peak 144;)
&rst
ixpk= 144, nxpk= 0, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 98, 99,
&end
#
# 7 GLU QG 8 GLN HB2 4.96 (#peak 857;)
&rst
ixpk= 857, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 98, 99,
&end
#
# 8 GLN H 8 GLN QG 3.69 (#peak 4655;)
&rst
ixpk= 4655, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 113, 114,
&end
#
# 8 GLN HA 8 GLN QE2 4.81 (#peak 4233;)
&rst
ixpk= 4233, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 118, 119,
&end
#
# 8 GLN HB2 8 GLN QE2 4.48 (#peak 5093;)
&rst
ixpk= 5093, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 118, 119,
&end
#
# 8 GLN HB3 8 GLN QE2 3.81 (#peak 4693;)
&rst
ixpk= 4693, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 118, 119,
&end
#
# 8 GLN QE2 12 PHE QE 4.18 (#peak 3725;)
&rst
ixpk= 3725, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 118, 119,
igr2= 177, 181,
&end
#
# 8 GLN QE2 12 PHE HZ 3.66 (#peak 3587;)
&rst
ixpk= 3587, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 118, 119,
&end
#
# 8 GLN QE2 76 MET QE 3.89 (#peak 859;)
&rst
ixpk= 859, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 118, 119,
igr2=1146,1147,1148,
&end
#
# 11 GLU H 11 GLU QG 3.73 (#peak 4593;)
&rst
ixpk= 4593, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 159, 160,
&end
#
# 11 GLU QG 12 PHE H 4.83 (#peak 4592;)
&rst
ixpk= 4592, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 159, 160,
&end
#
# 12 PHE H 39 LEU QQD 5.99 (#peak 181;)
&rst
ixpk= 181, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr2= 591, 592, 593, 595, 596, 597,
&end
#
# 12 PHE HA 39 LEU QQD 3.70 (#peak 908;)
&rst
ixpk= 908, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 591, 592, 593, 595, 596, 597,
&end
#
# 12 PHE HB3 39 LEU QQD 4.89 (#peak 538;)
&rst
ixpk= 538, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 591, 592, 593, 595, 596, 597,
&end
#
# 12 PHE QD 39 LEU QQD 3.16 (#peak 5236;)
&rst
ixpk= 5236, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 175, 183,
igr2= 591, 592, 593, 595, 596, 597,
&end
#
# 12 PHE QD 72 MET QG 5.74 (#peak 5208;)
&rst
ixpk= 5208, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 175, 183,
igr2=1069,1070,
&end
#
# 12 PHE QE 39 LEU QQD 3.57 (#peak 5235;)
&rst
ixpk= 5235, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 177, 181,
igr2= 591, 592, 593, 595, 596, 597,
&end
#
# 12 PHE QE 72 MET QB 5.00 (#peak 5107;)
&rst
ixpk= 5107, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 177, 181,
igr2=1066,1067,
&end
#
# 12 PHE QE 72 MET QG 6.58 (#peak 5146;)
&rst
ixpk= 5146, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr1= 177, 181,
igr2=1069,1070,
&end
#
# 12 PHE HZ 39 LEU QQD 4.75 (#peak 5232;)
&rst
ixpk= 5232, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 591, 592, 593, 595, 596, 597,
&end
#
# 13 LYS QG 14 GLU H 4.38 (#peak 371;)
&rst
ixpk= 371, nxpk= 0, iat= -1, 209, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 194, 195,
&end
#
# 13 LYS QG 17 SER H 5.89 (#peak 5180;)
&rst
ixpk= 5180, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 194, 195,
&end
#
# 13 LYS QG 17 SER QB 4.71 (#peak 939;)
&rst
ixpk= 939, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 194, 195,
igr2= 258, 259,
&end
#
# 13 LYS QG 65 PHE QE 5.12 (#peak 5364;)
&rst
ixpk= 5364, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 194, 195,
igr2= 953, 957,
&end
#
# 13 LYS QD 65 PHE QD 4.81 (#peak 5142;)
&rst
ixpk= 5142, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 197, 198,
igr2= 951, 959,
&end
#
# 13 LYS QD 65 PHE QE 4.28 (#peak 5144;)
&rst
ixpk= 5144, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 197, 198,
igr2= 953, 957,
&end
#
# 15 ALA H 39 LEU QQD 4.54 (#peak 194;)
&rst
ixpk= 194, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 591, 592, 593, 595, 596, 597,
&end
#
# 15 ALA HA 18 LEU QB 5.53 (#peak 954;)
&rst
ixpk= 954, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 269, 270,
&end
#
# 15 ALA HA 39 LEU QQD 4.76 (#peak 681;)
&rst
ixpk= 681, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2= 591, 592, 593, 595, 596, 597,
&end
#
# 15 ALA QB 35 VAL QQG 3.59 (#peak 961;)
&rst
ixpk= 961, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 228, 229, 230,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 15 ALA QB 39 LEU QQD 3.16 (#peak 963;)
&rst
ixpk= 963, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 228, 229, 230,
igr2= 591, 592, 593, 595, 596, 597,
&end
#
# 16 PHE H 35 VAL QQG 4.48 (#peak 5387;)
&rst
ixpk= 5387, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 16 PHE HA 35 VAL QQG 3.48 (#peak 972;)
&rst
ixpk= 972, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 16 PHE HB2 35 VAL QQG 5.30 (#peak 1030;)
&rst
ixpk= 1030, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 16 PHE QD 19 PHE QB 5.41 (#peak 4606;)
&rst
ixpk= 4606, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 242, 250,
igr2= 288, 289,
&end
#
# 16 PHE QD 35 VAL QQG 3.82 (#peak 5394;)
&rst
ixpk= 5394, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 242, 250,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 16 PHE QE 25 GLY QA 3.63 (#peak 4182;)
&rst
ixpk= 4182, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 244, 248,
igr2= 371, 372,
&end
#
# 16 PHE QE 35 VAL QQG 5.79 (#peak 5386;)
&rst
ixpk= 5386, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 244, 248,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 18 LEU H 18 LEU QB 3.20 (#peak 4945;)
&rst
ixpk= 4945, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 269, 270,
&end
#
# 18 LEU QB 18 LEU QD2 2.84 (#peak 1013;)
&rst
ixpk= 1013, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 269, 270,
igr2= 278, 279, 280,
&end
#
# 18 LEU QB 19 PHE H 3.86 (#peak 416;)
&rst
ixpk= 416, nxpk= 0, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 269, 270,
&end
#
# 18 LEU QB 19 PHE HA 5.91 (#peak 954;)
&rst
ixpk= 954, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 269, 270,
&end
#
# 19 PHE H 19 PHE QB 3.46 (#peak 420;)
&rst
ixpk= 420, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 288, 289,
&end
#
# 19 PHE H 35 VAL QQG 5.54 (#peak 5445;)
&rst
ixpk= 5445, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 19 PHE QB 27 ILE QG2 3.58 (#peak 1025;)
&rst
ixpk= 1025, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 288, 289,
igr2= 396, 397, 398,
&end
#
# 19 PHE QB 27 ILE QD1 4.65 (#peak 1024;)
&rst
ixpk= 1024, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 288, 289,
igr2= 403, 404, 405,
&end
#
# 19 PHE QB 35 VAL QQG 4.27 (#peak 1026;)
&rst
ixpk= 1026, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 288, 289,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 19 PHE QD 38 SER QB 5.40 (#peak 4020;)
&rst
ixpk= 4020, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 292, 300,
igr2= 575, 576,
&end
#
# 19 PHE QE 38 SER QB 4.95 (#peak 4019;)
&rst
ixpk= 4019, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 294, 298,
igr2= 575, 576,
&end
#
# 21 LYS H 22 ASP QB 4.87 (#peak 444;)
&rst
ixpk= 444, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 342, 343,
&end
#
# 22 ASP H 22 ASP QB 3.33 (#peak 445;)
&rst
ixpk= 445, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 342, 343,
&end
#
# 22 ASP H 23 GLY QA 4.96 (#peak 452;)
&rst
ixpk= 452, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 352, 353,
&end
#
# 22 ASP HA 22 ASP QB 2.75 (#peak 1064;)
&rst
ixpk= 1064, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
igr2= 342, 343,
&end
#
# 22 ASP QB 23 GLY H 3.97 (#peak 446;)
&rst
ixpk= 446, nxpk= 0, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 342, 343,
&end
#
# 24 ASP H 24 ASP QB 3.72 (#peak 460;)
&rst
ixpk= 460, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 361, 362,
&end
#
# 24 ASP QB 26 THR H 4.49 (#peak 461;)
&rst
ixpk= 461, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 361, 362,
&end
#
# 26 THR QG2 64 ASP QB 3.56 (#peak 1598;)
&rst
ixpk= 1598, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 382, 383, 384,
igr2= 935, 936,
&end
#
# 27 ILE HB 35 VAL QQG 5.19 (#peak 454;)
&rst
ixpk= 454, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 27 ILE QG2 31 GLU QB 5.07 (#peak 505;)
&rst
ixpk= 505, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 396, 397, 398,
igr2= 463, 464,
&end
#
# 27 ILE QG2 35 VAL QQG 4.21 (#peak 1124;)
&rst
ixpk= 1124, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 396, 397, 398,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 27 ILE QD1 31 GLU QB 4.09 (#peak 504;)
&rst
ixpk= 504, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 403, 404, 405,
igr2= 463, 464,
&end
#
# 27 ILE QD1 32 LEU QQD 3.75 (#peak 607;)
&rst
ixpk= 607, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 403, 404, 405,
igr2= 483, 484, 485, 487, 488, 489,
&end
#
# 28 THR H 31 GLU QB 4.32 (#peak 524;)
&rst
ixpk= 524, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 463, 464,
&end
#
# 29 THR H 61 GLY QA 6.38 (#peak 4023;)
&rst
ixpk= 4023, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 893, 894,
&end
#
# 29 THR HB 52 ILE QG1 4.65 (#peak 1468;)
&rst
ixpk= 1468, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 782, 783,
&end
#
# 29 THR QG2 52 ILE QG1 5.55 (#peak 1154;)
&rst
ixpk= 1154, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr1= 429, 430, 431,
igr2= 782, 783,
&end
#
# 29 THR QG2 56 ASP QB 3.80 (#peak 1525;)
&rst
ixpk= 1525, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 429, 430, 431,
igr2= 840, 841,
&end
#
# 29 THR QG2 61 GLY QA 3.93 (#peak 1551;)
&rst
ixpk= 1551, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 429, 430, 431,
igr2= 893, 894,
&end
#
# 31 GLU H 31 GLU QB 3.45 (#peak 4854;)
&rst
ixpk= 4854, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 463, 464,
&end
#
# 31 GLU QB 34 THR HB 6.17 (#peak 506;)
&rst
ixpk= 506, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 463, 464,
&end
#
# 32 LEU H 32 LEU QQD 4.53 (#peak 1185;)
&rst
ixpk= 1185, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 483, 484, 485, 487, 488, 489,
&end
#
# 32 LEU H 35 VAL QQG 5.76 (#peak 5445;)
&rst
ixpk= 5445, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 32 LEU HA 32 LEU QQD 3.50 (#peak 1196;)
&rst
ixpk= 1196, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 483, 484, 485, 487, 488, 489,
&end
#
# 32 LEU HA 35 VAL QQG 4.40 (#peak 548;)
&rst
ixpk= 548, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 32 LEU HB3 33 GLY QA 4.66 (#peak 1193;)
&rst
ixpk= 1193, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 495, 496,
&end
#
# 32 LEU QQD 33 GLY H 4.45 (#peak 5271;)
&rst
ixpk= 5271, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 483, 484, 485, 487, 488, 489,
&end
#
# 32 LEU QQD 35 VAL H 5.17 (#peak 536;)
&rst
ixpk= 536, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 483, 484, 485, 487, 488, 489,
&end
#
# 32 LEU QQD 35 VAL QQG 4.66 (#peak 609;)
&rst
ixpk= 609, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 483, 484, 485, 487, 488, 489,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 32 LEU QQD 36 MET H 5.24 (#peak 1251;)
&rst
ixpk= 1251, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 483, 484, 485, 487, 488, 489,
&end
#
# 32 LEU QQD 36 MET QG 3.83 (#peak 1271;)
&rst
ixpk= 1271, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 483, 484, 485, 487, 488, 489,
igr2= 537, 538,
&end
#
# 32 LEU QQD 51 MET H 6.30 (#peak 5286;)
&rst
ixpk= 5286, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 483, 484, 485, 487, 488, 489,
&end
#
# 32 LEU QQD 51 MET QB 4.77 (#peak 723;)
&rst
ixpk= 723, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1= 483, 484, 485, 487, 488, 489,
igr2= 759, 760,
&end
#
# 32 LEU QQD 52 ILE H 4.40 (#peak 1453;)
&rst
ixpk= 1453, nxpk= 0, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 483, 484, 485, 487, 488, 489,
&end
#
# 32 LEU QQD 63 ILE QD1 3.29 (#peak 694;)
&rst
ixpk= 694, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 483, 484, 485, 487, 488, 489,
igr2= 925, 926, 927,
&end
#
# 32 LEU QQD 68 PHE QD 3.27 (#peak 5214;)
&rst
ixpk= 5214, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 483, 484, 485, 487, 488, 489,
igr2=1000,1008,
&end
#
# 32 LEU QQD 68 PHE QE 3.95 (#peak 1690;)
&rst
ixpk= 1690, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 483, 484, 485, 487, 488, 489,
igr2=1002,1006,
&end
#
# 33 GLY H 48 LEU QQD 4.40 (#peak 642;)
&rst
ixpk= 642, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 716, 717, 718, 720, 721, 722,
&end
#
# 33 GLY QA 35 VAL H 4.44 (#peak 4314;)
&rst
ixpk= 4314, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 495, 496,
&end
#
# 33 GLY QA 36 MET H 4.22 (#peak 4304;)
&rst
ixpk= 4304, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 495, 496,
&end
#
# 33 GLY QA 48 LEU QQD 3.36 (#peak 1404;)
&rst
ixpk= 1404, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 495, 496,
igr2= 716, 717, 718, 720, 721, 722,
&end
#
# 34 THR H 35 VAL QQG 4.32 (#peak 5439;)
&rst
ixpk= 5439, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 34 THR H 48 LEU QQD 5.79 (#peak 643;)
&rst
ixpk= 643, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
igr2= 716, 717, 718, 720, 721, 722,
&end
#
# 34 THR HA 37 ARG QD 5.06 (#peak 1214;)
&rst
ixpk= 1214, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 557, 558,
&end
#
# 34 THR HB 35 VAL QQG 4.71 (#peak 1242;)
&rst
ixpk= 1242, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 35 VAL H 35 VAL QQG 3.10 (#peak 5438;)
&rst
ixpk= 5438, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 35 VAL HA 35 VAL QQG 3.23 (#peak 1229;)
&rst
ixpk= 1229, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 35 VAL HA 38 SER QB 4.47 (#peak 1293;)
&rst
ixpk= 1293, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 575, 576,
&end
#
# 35 VAL QQG 36 MET HA 4.25 (#peak 1259;)
&rst
ixpk= 1259, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 520, 521, 522, 524, 525, 526,
&end
#
# 35 VAL QQG 39 LEU H 5.03 (#peak 562;)
&rst
ixpk= 562, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 520, 521, 522, 524, 525, 526,
&end
#
# 35 VAL QQG 39 LEU QQD 3.68 (#peak 1308;)
&rst
ixpk= 1308, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 520, 521, 522, 524, 525, 526,
igr2= 591, 592, 593, 595, 596, 597,
&end
#
# 35 VAL QQG 68 PHE QE 5.10 (#peak 5442;)
&rst
ixpk= 5442, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1= 520, 521, 522, 524, 525, 526,
igr2=1002,1006,
&end
#
# 35 VAL QQG 68 PHE HZ 3.89 (#peak 1681;)
&rst
ixpk= 1681, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 520, 521, 522, 524, 525, 526,
&end
#
# 36 MET H 36 MET QB 3.20 (#peak 260;)
&rst
ixpk= 260, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 534, 535,
&end
#
# 36 MET H 38 SER QB 5.68 (#peak 37;)
&rst
ixpk= 37, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 575, 576,
&end
#
# 36 MET H 48 LEU QQD 4.92 (#peak 5327;)
&rst
ixpk= 5327, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 716, 717, 718, 720, 721, 722,
&end
#
# 36 MET HA 36 MET QG 3.68 (#peak 1261;)
&rst
ixpk= 1261, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 537, 538,
&end
#
# 36 MET HA 39 LEU QQD 4.11 (#peak 1309;)
&rst
ixpk= 1309, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 591, 592, 593, 595, 596, 597,
&end
#
# 36 MET QB 37 ARG H 3.58 (#peak 4880;)
&rst
ixpk= 4880, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 534, 535,
&end
#
# 36 MET QG 39 LEU QQD 5.00 (#peak 1198;)
&rst
ixpk= 1198, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 537, 538,
igr2= 591, 592, 593, 595, 596, 597,
&end
#
# 36 MET QG 48 LEU QQD 4.55 (#peak 1276;)
&rst
ixpk= 1276, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 537, 538,
igr2= 716, 717, 718, 720, 721, 722,
&end
#
# 36 MET QG 68 PHE QE 4.14 (#peak 4575;)
&rst
ixpk= 4575, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 537, 538,
igr2=1002,1006,
&end
#
# 37 ARG H 37 ARG QD 4.89 (#peak 1280;)
&rst
ixpk= 1280, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 557, 558,
&end
#
# 37 ARG HA 37 ARG QD 4.73 (#peak 1282;)
&rst
ixpk= 1282, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 557, 558,
&end
#
# 37 ARG QB 38 SER QB 5.87 (#peak 765;)
&rst
ixpk= 765, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 551, 552,
igr2= 575, 576,
&end
#
# 38 SER H 38 SER QB 3.27 (#peak 583;)
&rst
ixpk= 583, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 575, 576,
&end
#
# 38 SER QB 39 LEU H 3.96 (#peak 3983;)
&rst
ixpk= 3983, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 575, 576,
&end
#
# 38 SER QB 39 LEU QB 5.57 (#peak 765;)
&rst
ixpk= 765, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 575, 576,
igr2= 586, 587,
&end
#
# 39 LEU H 39 LEU QQD 3.48 (#peak 414;)
&rst
ixpk= 414, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 591, 592, 593, 595, 596, 597,
&end
#
# 39 LEU HA 39 LEU QQD 3.17 (#peak 1302;)
&rst
ixpk= 1302, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 591, 592, 593, 595, 596, 597,
&end
#
# 39 LEU QQD 40 GLY H 5.00 (#peak 5152;)
&rst
ixpk= 5152, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 591, 592, 593, 595, 596, 597,
&end
#
# 39 LEU QQD 41 GLN QE2 5.39 (#peak 5230;)
&rst
ixpk= 5230, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
igr1= 591, 592, 593, 595, 596, 597,
igr2= 620, 621,
&end
#
# 39 LEU QQD 68 PHE QE 4.04 (#peak 5237;)
&rst
ixpk= 5237, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 591, 592, 593, 595, 596, 597,
igr2=1002,1006,
&end
#
# 39 LEU QQD 72 MET QE 3.51 (#peak 698;)
&rst
ixpk= 698, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 591, 592, 593, 595, 596, 597,
igr2=1073,1074,1075,
&end
#
# 41 GLN H 41 GLN QB 3.65 (#peak 5012;)
&rst
ixpk= 5012, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 612, 613,
&end
#
# 41 GLN H 41 GLN QG 3.70 (#peak 4690;)
&rst
ixpk= 4690, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 615, 616,
&end
#
# 41 GLN H 41 GLN QE2 5.31 (#peak 3389;)
&rst
ixpk= 3389, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 620, 621,
&end
#
# 41 GLN QB 41 GLN QE2 4.08 (#peak 4748;)
&rst
ixpk= 4748, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 612, 613,
igr2= 620, 621,
&end
#
# 41 GLN QB 42 ASN H 3.92 (#peak 232;)
&rst
ixpk= 232, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 612, 613,
&end
#
# 41 GLN QB 43 PRO QD 4.15 (#peak 1361;)
&rst
ixpk= 1361, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 612, 613,
igr2= 640, 641,
&end
#
# 41 GLN QG 41 GLN QE2 3.27 (#peak 4700;)
&rst
ixpk= 4700, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 615, 616,
igr2= 620, 621,
&end
#
# 41 GLN QG 72 MET QE 4.38 (#peak 1770;)
&rst
ixpk= 1770, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 615, 616,
igr2=1073,1074,1075,
&end
#
# 41 GLN QE2 72 MET QE 3.96 (#peak 5059;)
&rst
ixpk= 5059, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 620, 621,
igr2=1073,1074,1075,
&end
#
# 42 ASN H 43 PRO QD 4.35 (#peak 609;)
&rst
ixpk= 609, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 640, 641,
&end
#
# 42 ASN HA 43 PRO QD 3.31 (#peak 1350;)
&rst
ixpk= 1350, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 640, 641,
&end
#
# 42 ASN QB 42 ASN QD2 3.19 (#peak 4503;)
&rst
ixpk= 4503, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 629, 630,
igr2= 634, 635,
&end
#
# 43 PRO QB 44 THR H 3.56 (#peak 4805;)
&rst
ixpk= 4805, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 646, 647,
&end
#
# 43 PRO QG 48 LEU QQD 3.35 (#peak 3105;)
&rst
ixpk= 3105, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 643, 644,
igr2= 716, 717, 718, 720, 721, 722,
&end
#
# 43 PRO QD 48 LEU QQD 4.77 (#peak 1407;)
&rst
ixpk= 1407, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1= 640, 641,
igr2= 716, 717, 718, 720, 721, 722,
&end
#
# 44 THR H 47 GLU QB 3.68 (#peak 634;)
&rst
ixpk= 634, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 696, 697,
&end
#
# 45 GLU H 48 LEU QQD 5.21 (#peak 5324;)
&rst
ixpk= 5324, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr2= 716, 717, 718, 720, 721, 722,
&end
#
# 45 GLU HA 48 LEU QQD 3.73 (#peak 1410;)
&rst
ixpk= 1410, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 716, 717, 718, 720, 721, 722,
&end
#
# 47 GLU H 47 GLU QB 3.32 (#peak 635;)
&rst
ixpk= 635, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 696, 697,
&end
#
# 47 GLU H 48 LEU QQD 6.22 (#peak 5330;)
&rst
ixpk= 5330, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
igr2= 716, 717, 718, 720, 721, 722,
&end
#
# 47 GLU HA 50 ASP QB 3.55 (#peak 1429;)
&rst
ixpk= 1429, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 747, 748,
&end
#
# 47 GLU QB 48 LEU H 3.42 (#peak 4662;)
&rst
ixpk= 4662, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 696, 697,
&end
#
# 48 LEU H 48 LEU QB 3.20 (#peak 4916;)
&rst
ixpk= 4916, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 711, 712,
&end
#
# 48 LEU H 48 LEU QQD 4.45 (#peak 644;)
&rst
ixpk= 644, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 716, 717, 718, 720, 721, 722,
&end
#
# 48 LEU HA 48 LEU QQD 3.20 (#peak 1400;)
&rst
ixpk= 1400, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 716, 717, 718, 720, 721, 722,
&end
#
# 48 LEU HA 51 MET QB 4.32 (#peak 1436;)
&rst
ixpk= 1436, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 759, 760,
&end
#
# 48 LEU HA 51 MET QG 4.49 (#peak 1438;)
&rst
ixpk= 1438, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 762, 763,
&end
#
# 48 LEU QB 48 LEU QQD 3.00 (#peak 126;)
&rst
ixpk= 126, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 711, 712,
igr2= 716, 717, 718, 720, 721, 722,
&end
#
# 48 LEU QB 49 GLN H 3.30 (#peak 4894;)
&rst
ixpk= 4894, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 711, 712,
&end
#
# 48 LEU QQD 49 GLN H 4.83 (#peak 403;)
&rst
ixpk= 403, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 716, 717, 718, 720, 721, 722,
&end
#
# 48 LEU QQD 51 MET QE 3.71 (#peak 1412;)
&rst
ixpk= 1412, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 716, 717, 718, 720, 721, 722,
igr2= 766, 767, 768,
&end
#
# 49 GLN HA 52 ILE QG1 4.16 (#peak 706;)
&rst
ixpk= 706, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 782, 783,
&end
#
# 49 GLN QG 53 ASN QD2 3.68 (#peak 728;)
&rst
ixpk= 728, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 733, 734,
igr2= 800, 801,
&end
#
# 50 ASP H 50 ASP QB 3.00 (#peak 4490;)
&rst
ixpk= 4490, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 747, 748,
&end
#
# 50 ASP H 52 ILE QG1 6.34 (#peak 5341;)
&rst
ixpk= 5341, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2= 782, 783,
&end
#
# 50 ASP H 53 ASN QD2 4.81 (#peak 3378;)
&rst
ixpk= 3378, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 800, 801,
&end
#
# 50 ASP HA 53 ASN QB 4.64 (#peak 1485;)
&rst
ixpk= 1485, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 795, 796,
&end
#
# 50 ASP QB 51 MET H 3.51 (#peak 118;)
&rst
ixpk= 118, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 747, 748,
&end
#
# 50 ASP QB 53 ASN QD2 5.80 (#peak 4529;)
&rst
ixpk= 4529, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 747, 748,
igr2= 800, 801,
&end
#
# 51 MET H 51 MET QB 3.56 (#peak 4788;)
&rst
ixpk= 4788, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 759, 760,
&end
#
# 51 MET H 51 MET QG 3.39 (#peak 4476;)
&rst
ixpk= 4476, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 762, 763,
&end
#
# 51 MET H 52 ILE QG1 4.23 (#peak 204;)
&rst
ixpk= 204, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 782, 783,
&end
#
# 51 MET HA 51 MET QG 3.58 (#peak 1437;)
&rst
ixpk= 1437, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 762, 763,
&end
#
# 51 MET HA 55 VAL QQG 4.07 (#peak 722;)
&rst
ixpk= 722, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 826, 827, 828, 830, 831, 832,
&end
#
# 51 MET QB 52 ILE H 3.45 (#peak 4774;)
&rst
ixpk= 4774, nxpk= 0, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 759, 760,
&end
#
# 51 MET QB 54 GLU H 5.63 (#peak 1495;)
&rst
ixpk= 1495, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 759, 760,
&end
#
# 51 MET QG 51 MET QE 3.50 (#peak 1451;)
&rst
ixpk= 1451, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 762, 763,
igr2= 766, 767, 768,
&end
#
# 51 MET QG 52 ILE H 4.81 (#peak 670;)
&rst
ixpk= 670, nxpk= 0, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 762, 763,
&end
#
# 52 ILE H 52 ILE QG1 3.14 (#peak 5337;)
&rst
ixpk= 5337, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 782, 783,
&end
#
# 52 ILE HA 52 ILE QG1 3.40 (#peak 610;)
&rst
ixpk= 610, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 782, 783,
&end
#
# 52 ILE HA 55 VAL QQG 3.57 (#peak 1465;)
&rst
ixpk= 1465, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr2= 826, 827, 828, 830, 831, 832,
&end
#
# 52 ILE HB 53 ASN QD2 5.43 (#peak 4878;)
&rst
ixpk= 4878, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 800, 801,
&end
#
# 52 ILE QG2 53 ASN QD2 5.32 (#peak 1490;)
&rst
ixpk= 1490, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 778, 779, 780,
igr2= 800, 801,
&end
#
# 52 ILE QG2 56 ASP QB 3.63 (#peak 1529;)
&rst
ixpk= 1529, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 778, 779, 780,
igr2= 840, 841,
&end
#
# 52 ILE QG1 53 ASN H 4.77 (#peak 5340;)
&rst
ixpk= 5340, nxpk= 0, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 782, 783,
&end
#
# 53 ASN H 53 ASN QB 3.20 (#peak 4434;)
&rst
ixpk= 4434, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 795, 796,
&end
#
# 53 ASN QB 53 ASN QD2 3.19 (#peak 4439;)
&rst
ixpk= 4439, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 795, 796,
igr2= 800, 801,
&end
#
# 53 ASN QB 54 GLU H 3.80 (#peak 4441;)
&rst
ixpk= 4441, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 795, 796,
&end
#
# 54 GLU H 55 VAL QQG 4.66 (#peak 262;)
&rst
ixpk= 262, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 826, 827, 828, 830, 831, 832,
&end
#
# 54 GLU HA 54 GLU QG 3.71 (#peak 518;)
&rst
ixpk= 518, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 812, 813,
&end
#
# 54 GLU QG 55 VAL H 4.98 (#peak 138;)
&rst
ixpk= 138, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 812, 813,
&end
#
# 54 GLU QG 55 VAL QQG 4.48 (#peak 519;)
&rst
ixpk= 519, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 812, 813,
igr2= 826, 827, 828, 830, 831, 832,
&end
#
# 55 VAL H 56 ASP QB 5.60 (#peak 138;)
&rst
ixpk= 138, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 840, 841,
&end
#
# 55 VAL HA 55 VAL QQG 3.14 (#peak 1508;)
&rst
ixpk= 1508, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 826, 827, 828, 830, 831, 832,
&end
#
# 55 VAL QQG 56 ASP H 3.39 (#peak 702;)
&rst
ixpk= 702, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 826, 827, 828, 830, 831, 832,
&end
#
# 55 VAL QQG 56 ASP HA 4.70 (#peak 1513;)
&rst
ixpk= 1513, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 826, 827, 828, 830, 831, 832,
&end
#
# 55 VAL QQG 56 ASP QB 4.34 (#peak 1530;)
&rst
ixpk= 1530, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 826, 827, 828, 830, 831, 832,
igr2= 840, 841,
&end
#
# 55 VAL QQG 57 ALA H 4.87 (#peak 703;)
&rst
ixpk= 703, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 826, 827, 828, 830, 831, 832,
&end
#
# 55 VAL QQG 71 MET H 5.11 (#peak 5255;)
&rst
ixpk= 5255, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 826, 827, 828, 830, 831, 832,
&end
#
# 55 VAL QQG 71 MET QG 4.39 (#peak 1738;)
&rst
ixpk= 1738, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 826, 827, 828, 830, 831, 832,
igr2=1052,1053,
&end
#
# 55 VAL QQG 71 MET QE 3.59 (#peak 1660;)
&rst
ixpk= 1660, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 826, 827, 828, 830, 831, 832,
igr2=1056,1057,1058,
&end
#
# 56 ASP QB 57 ALA H 4.39 (#peak 713;)
&rst
ixpk= 713, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 840, 841,
&end
#
# 56 ASP QB 63 ILE QD1 5.72 (#peak 3114;)
&rst
ixpk= 3114, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr1= 840, 841,
igr2= 925, 926, 927,
&end
#
# 57 ALA H 58 ASP QB 4.89 (#peak 4527;)
&rst
ixpk= 4527, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 862, 863,
&end
#
# 58 ASP H 58 ASP QB 3.16 (#peak 729;)
&rst
ixpk= 729, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 862, 863,
&end
#
# 58 ASP QB 59 GLY H 4.06 (#peak 4535;)
&rst
ixpk= 4535, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 862, 863,
&end
#
# 58 ASP QB 60 ASN QD2 3.76 (#peak 4500;)
&rst
ixpk= 4500, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 862, 863,
igr2= 886, 887,
&end
#
# 60 ASN H 60 ASN QD2 4.65 (#peak 3397;)
&rst
ixpk= 3397, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 886, 887,
&end
#
# 60 ASN HA 60 ASN QD2 5.18 (#peak 3856;)
&rst
ixpk= 3856, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 886, 887,
&end
#
# 60 ASN QB 60 ASN QD2 3.50 (#peak 4454;)
&rst
ixpk= 4454, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 881, 882,
igr2= 886, 887,
&end
#
# 63 ILE HB 67 GLU QB 5.48 (#peak 522;)
&rst
ixpk= 522, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 981, 982,
&end
#
# 63 ILE QG2 67 GLU QB 3.52 (#peak 521;)
&rst
ixpk= 521, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 918, 919, 920,
igr2= 981, 982,
&end
#
# 63 ILE QG2 67 GLU QG 4.75 (#peak 1588;)
&rst
ixpk= 1588, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 918, 919, 920,
igr2= 984, 985,
&end
#
# 64 ASP H 64 ASP QB 3.66 (#peak 4394;)
&rst
ixpk= 4394, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 935, 936,
&end
#
# 64 ASP H 67 GLU QB 3.41 (#peak 1593;)
&rst
ixpk= 1593, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 981, 982,
&end
#
# 64 ASP H 67 GLU QG 4.66 (#peak 1594;)
&rst
ixpk= 1594, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 984, 985,
&end
#
# 64 ASP QB 65 PHE H 3.45 (#peak 4388;)
&rst
ixpk= 4388, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 935, 936,
&end
#
# 64 ASP QB 65 PHE HA 5.45 (#peak 1680;)
&rst
ixpk= 1680, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 935, 936,
&end
#
# 64 ASP QB 67 GLU H 4.34 (#peak 4488;)
&rst
ixpk= 4488, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 935, 936,
&end
#
# 65 PHE H 66 PRO QG 4.71 (#peak 788;)
&rst
ixpk= 788, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 967, 968,
&end
#
# 66 PRO QG 67 GLU H 3.99 (#peak 789;)
&rst
ixpk= 789, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 967, 968,
&end
#
# 67 GLU H 67 GLU QB 3.39 (#peak 4583;)
&rst
ixpk= 4583, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 981, 982,
&end
#
# 67 GLU H 67 GLU QG 4.01 (#peak 795;)
&rst
ixpk= 795, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 984, 985,
&end
#
# 67 GLU HA 67 GLU QG 3.84 (#peak 476;)
&rst
ixpk= 476, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 984, 985,
&end
#
# 68 PHE HA 71 MET QG 4.75 (#peak 1739;)
&rst
ixpk= 1739, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1052,1053,
&end
#
# 68 PHE QD 71 MET QB 6.07 (#peak 4781;)
&rst
ixpk= 4781, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,
igr1=1000,1008,
igr2=1049,1050,
&end
#
# 68 PHE QD 71 MET QG 4.86 (#peak 4542;)
&rst
ixpk= 4542, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1000,1008,
igr2=1052,1053,
&end
#
# 68 PHE QD 72 MET QG 4.54 (#peak 5239;)
&rst
ixpk= 5239, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1000,1008,
igr2=1069,1070,
&end
#
# 68 PHE QE 72 MET QG 3.70 (#peak 5156;)
&rst
ixpk= 5156, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1002,1006,
igr2=1069,1070,
&end
#
# 69 LEU HA 72 MET QB 4.29 (#peak 710;)
&rst
ixpk= 710, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1066,1067,
&end
#
# 70 THR H 71 MET QB 5.65 (#peak 823;)
&rst
ixpk= 823, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1049,1050,
&end
#
# 70 THR HB 71 MET QB 5.53 (#peak 1735;)
&rst
ixpk= 1735, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1049,1050,
&end
#
# 71 MET H 71 MET QG 3.60 (#peak 4545;)
&rst
ixpk= 4545, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1052,1053,
&end
#
# 71 MET HA 71 MET QG 3.64 (#peak 787;)
&rst
ixpk= 787, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1052,1053,
&end
#
# 71 MET QG 71 MET QE 3.61 (#peak 1741;)
&rst
ixpk= 1741, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1052,1053,
igr2=1056,1057,1058,
&end
#
# 71 MET QG 72 MET H 5.22 (#peak 4544;)
&rst
ixpk= 4544, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1052,1053,
&end
#
# 72 MET H 72 MET QB 3.51 (#peak 830;)
&rst
ixpk= 830, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1066,1067,
&end
#
# 72 MET H 72 MET QG 3.65 (#peak 832;)
&rst
ixpk= 832, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1069,1070,
&end
#
# 72 MET HA 75 LYS QB 4.22 (#peak 1754;)
&rst
ixpk= 1754, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1117,1118,
&end
#
# 72 MET QB 73 ALA H 4.27 (#peak 5044;)
&rst
ixpk= 5044, nxpk= 0, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1066,1067,
&end
#
# 72 MET QB 74 ARG H 5.62 (#peak 5040;)
&rst
ixpk= 5040, nxpk= 0, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1066,1067,
&end
#
# 72 MET QG 73 ALA H 4.76 (#peak 5218;)
&rst
ixpk= 5218, nxpk= 0, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1069,1070,
&end
#
# 72 MET QE 76 MET QG 5.35 (#peak 460;)
&rst
ixpk= 460, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1073,1074,1075,
igr2=1142,1143,
&end
#
# 73 ALA H 76 MET QG 5.74 (#peak 4519;)
&rst
ixpk= 4519, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1142,1143,
&end
#
# 73 ALA HA 76 MET QB 4.18 (#peak 1775;)
&rst
ixpk= 1775, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1139,1140,
&end
#
# 73 ALA HA 76 MET QG 4.84 (#peak 726;)
&rst
ixpk= 726, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1142,1143,
&end
#
# 73 ALA QB 76 MET QB 4.84 (#peak 1780;)
&rst
ixpk= 1780, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1083,1084,1085,
igr2=1139,1140,
&end
#
# 73 ALA QB 76 MET QG 5.88 (#peak 460;)
&rst
ixpk= 460, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1083,1084,1085,
igr2=1142,1143,
&end
#
# 74 ARG H 74 ARG QG 3.85 (#peak 843;)
&rst
ixpk= 843, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1096,1097,
&end
#
# 74 ARG HA 74 ARG QG 3.69 (#peak 1792;)
&rst
ixpk= 1792, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1096,1097,
&end
#
# 74 ARG QG 75 LYS H 5.55 (#peak 244;)
&rst
ixpk= 244, nxpk= 0, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1096,1097,
&end
#
# 75 LYS H 75 LYS QB 3.28 (#peak 4927;)
&rst
ixpk= 4927, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1117,1118,
&end
#
# 75 LYS H 75 LYS QD 6.05 (#peak 244;)
&rst
ixpk= 244, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1123,1124,
&end
#
# 75 LYS H 76 MET QG 4.74 (#peak 859;)
&rst
ixpk= 859, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1142,1143,
&end
#
# 75 LYS HA 75 LYS QD 4.17 (#peak 1804;)
&rst
ixpk= 1804, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1123,1124,
&end
#
# 75 LYS HA 75 LYS QE 5.30 (#peak 649;)
&rst
ixpk= 649, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=1126,1127,
&end
#
# 75 LYS QB 75 LYS QE 4.55 (#peak 1809;)
&rst
ixpk= 1809, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1117,1118,
igr2=1126,1127,
&end
#
# 75 LYS QB 76 MET H 3.68 (#peak 4922;)
&rst
ixpk= 4922, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1117,1118,
&end
#
# 75 LYS QG 75 LYS QE 3.55 (#peak 1816;)
&rst
ixpk= 1816, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1120,1121,
igr2=1126,1127,
&end
#
# 75 LYS QG 76 MET QG 6.58 (#peak 1782;)
&rst
ixpk= 1782, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr1=1120,1121,
igr2=1142,1143,
&end
#
# 76 MET H 76 MET QB 3.61 (#peak 857;)
&rst
ixpk= 857, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1139,1140,
&end
#
# 76 MET H 76 MET QG 3.48 (#peak 4526;)
&rst
ixpk= 4526, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1142,1143,
&end
#
# 76 MET QG 77 LYS H 5.48 (#peak 222;)
&rst
ixpk= 222, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1142,1143,
&end
#
# 77 LYS HA 78 ASP QB 4.53 (#peak 210;)
&rst
ixpk= 210, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1178,1179,
&end
#
# 78 ASP H 78 ASP QB 3.58 (#peak 872;)
&rst
ixpk= 872, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1178,1179,
&end
#
# 80 ASP HA 81 SER QB 5.07 (#peak 1854;)
&rst
ixpk= 1854, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1216,1217,
&end
#
# 81 SER H 84 GLU QB 4.36 (#peak 147;)
&rst
ixpk= 147, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1257,1258,
&end
#
# 81 SER HA 82 GLU QB 5.03 (#peak 175;)
&rst
ixpk= 175, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1227,1228,
&end
#
# 81 SER HA 84 GLU QB 4.92 (#peak 1861;)
&rst
ixpk= 1861, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1257,1258,
&end
#
# 81 SER QB 82 GLU H 3.77 (#peak 4006;)
&rst
ixpk= 4006, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1216,1217,
&end
#
# 81 SER QB 83 GLU H 4.82 (#peak 1875;)
&rst
ixpk= 1875, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1216,1217,
&end
#
# 82 GLU H 82 GLU QB 3.53 (#peak 899;)
&rst
ixpk= 899, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1227,1228,
&end
#
# 82 GLU HA 142 VAL QQG 4.18 (#peak 530;)
&rst
ixpk= 530, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=2156,2157,2158,2160,2161,2162,
&end
#
# 82 GLU QB 83 GLU H 4.22 (#peak 4719;)
&rst
ixpk= 4719, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1227,1228,
&end
#
# 82 GLU QB 146 THR QG2 4.49 (#peak 764;)
&rst
ixpk= 764, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1227,1228,
igr2=2223,2224,2225,
&end
#
# 82 GLU QG 142 VAL QQG 3.89 (#peak 769;)
&rst
ixpk= 769, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=1230,1231,
igr2=2156,2157,2158,2160,2161,2162,
&end
#
# 84 GLU QB 85 ILE H 3.96 (#peak 148;)
&rst
ixpk= 148, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1257,1258,
&end
#
# 84 GLU QB 159 VAL QQG 4.11 (#peak 1980;)
&rst
ixpk= 1980, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1257,1258,
igr2=2395,2396,2397,2399,2400,2401,
&end
#
# 84 GLU QG 159 VAL QQG 3.95 (#peak 871;)
&rst
ixpk= 871, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1260,1261,
igr2=2395,2396,2397,2399,2400,2401,
&end
#
# 85 ILE H 142 VAL QQG 4.91 (#peak 5248;)
&rst
ixpk= 5248, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=2156,2157,2158,2160,2161,2162,
&end
#
# 85 ILE HA 159 VAL QQG 3.46 (#peak 622;)
&rst
ixpk= 622, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=2395,2396,2397,2399,2400,2401,
&end
#
# 86 ARG H 86 ARG QG 4.82 (#peak 922;)
&rst
ixpk= 922, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1294,1295,
&end
#
# 86 ARG H 142 VAL QQG 4.14 (#peak 1328;)
&rst
ixpk= 1328, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=2156,2157,2158,2160,2161,2162,
&end
#
# 86 ARG HA 142 VAL QQG 3.73 (#peak 745;)
&rst
ixpk= 745, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=2156,2157,2158,2160,2161,2162,
&end
#
# 86 ARG QB 142 VAL QQG 4.37 (#peak 1922;)
&rst
ixpk= 1922, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1291,1292,
igr2=2156,2157,2158,2160,2161,2162,
&end
#
# 86 ARG QG 87 GLU H 5.50 (#peak 4973;)
&rst
ixpk= 4973, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1294,1295,
&end
#
# 86 ARG QG 89 PHE QD 5.13 (#peak 1954;)
&rst
ixpk= 1954, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1294,1295,
igr2=1344,1352,
&end
#
# 86 ARG QG 138 TYR QD 5.60 (#peak 4879;)
&rst
ixpk= 4879, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1294,1295,
igr2=2087,2096,
&end
#
# 86 ARG QG 142 VAL QQG 4.80 (#peak 1919;)
&rst
ixpk= 1919, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr1=1294,1295,
igr2=2156,2157,2158,2160,2161,2162,
&end
#
# 86 ARG QD 89 PHE QD 4.00 (#peak 1952;)
&rst
ixpk= 1952, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1297,1298,
igr2=1344,1352,
&end
#
# 86 ARG QD 89 PHE QE 4.81 (#peak 4338;)
&rst
ixpk= 4338, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1297,1298,
igr2=1346,1350,
&end
#
# 86 ARG QD 138 TYR QE 4.83 (#peak 340;)
&rst
ixpk= 340, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1297,1298,
igr2=2089,2094,
&end
#
# 86 ARG QD 142 VAL QQG 3.90 (#peak 2641;)
&rst
ixpk= 2641, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1297,1298,
igr2=2156,2157,2158,2160,2161,2162,
&end
#
# 86 ARG HE 142 VAL QQG 5.07 (#peak 5167;)
&rst
ixpk= 5167, nxpk= 0, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2=2156,2157,2158,2160,2161,2162,
&end
#
# 88 ALA H 91 VAL QQG 5.50 (#peak 267;)
&rst
ixpk= 267, nxpk= 0, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1386,1387,1388,1390,1391,1392,
&end
#
# 88 ALA H 159 VAL QQG 5.07 (#peak 461;)
&rst
ixpk= 461, nxpk= 0, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2=2395,2396,2397,2399,2400,2401,
&end
#
# 88 ALA HA 91 VAL QQG 4.04 (#peak 1981;)
&rst
ixpk= 1981, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1386,1387,1388,1390,1391,1392,
&end
#
# 88 ALA QB 159 VAL QQG 3.24 (#peak 465;)
&rst
ixpk= 465, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1330,1331,1332,
igr2=2395,2396,2397,2399,2400,2401,
&end
#
# 89 PHE H 91 VAL QQG 6.68 (#peak 5330;)
&rst
ixpk= 5330, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr2=1386,1387,1388,1390,1391,1392,
&end
#
# 89 PHE HA 91 VAL QQG 5.44 (#peak 1944;)
&rst
ixpk= 1944, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1386,1387,1388,1390,1391,1392,
&end
#
# 89 PHE QB 92 PHE QD 5.40 (#peak 4547;)
&rst
ixpk= 4547, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1340,1341,
igr2=1404,1412,
&end
#
# 89 PHE QB 100 ILE QD1 4.86 (#peak 1949;)
&rst
ixpk= 1949, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1340,1341,
igr2=1524,1525,1526,
&end
#
# 89 PHE QB 138 TYR QE 4.00 (#peak 4561;)
&rst
ixpk= 4561, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1340,1341,
igr2=2089,2094,
&end
#
# 89 PHE QB 142 VAL QQG 5.27 (#peak 1919;)
&rst
ixpk= 1919, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
igr1=1340,1341,
igr2=2156,2157,2158,2160,2161,2162,
&end
#
# 89 PHE QB 160 ILE QD1 5.45 (#peak 3125;)
&rst
ixpk= 3125, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1=1340,1341,
igr2=2418,2419,2420,
&end
#
# 89 PHE QD 142 VAL QQG 3.63 (#peak 1960;)
&rst
ixpk= 1960, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1344,1352,
igr2=2156,2157,2158,2160,2161,2162,
&end
#
# 89 PHE QE 105 LEU QQD 3.43 (#peak 5335;)
&rst
ixpk= 5335, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1346,1350,
igr2=1585,1586,1587,1589,1590,1591,
&end
#
# 89 PHE QE 142 VAL QQG 3.64 (#peak 5157;)
&rst
ixpk= 5157, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1346,1350,
igr2=2156,2157,2158,2160,2161,2162,
&end
#
# 90 ARG H 90 ARG QG 4.27 (#peak 4838;)
&rst
ixpk= 4838, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1363,1364,
&end
#
# 90 ARG HA 90 ARG QG 3.89 (#peak 1642;)
&rst
ixpk= 1642, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1363,1364,
&end
#
# 90 ARG QB 91 VAL QQG 4.64 (#peak 1982;)
&rst
ixpk= 1982, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1=1360,1361,
igr2=1386,1387,1388,1390,1391,1392,
&end
#
# 90 ARG QG 138 TYR QE 4.43 (#peak 4795;)
&rst
ixpk= 4795, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1363,1364,
igr2=2089,2094,
&end
#
# 91 VAL H 91 VAL QQG 3.08 (#peak 5339;)
&rst
ixpk= 5339, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1386,1387,1388,1390,1391,1392,
&end
#
# 91 VAL HA 91 VAL QQG 3.02 (#peak 1977;)
&rst
ixpk= 1977, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1386,1387,1388,1390,1391,1392,
&end
#
# 91 VAL QQG 92 PHE H 3.79 (#peak 5463;)
&rst
ixpk= 5463, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1386,1387,1388,1390,1391,1392,
&end
#
# 91 VAL QQG 92 PHE HA 4.70 (#peak 1999;)
&rst
ixpk= 1999, nxpk= 0, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1386,1387,1388,1390,1391,1392,
&end
#
# 91 VAL QQG 92 PHE QD 4.60 (#peak 5463;)
&rst
ixpk= 5463, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=1386,1387,1388,1390,1391,1392,
igr2=1404,1412,
&end
#
# 91 VAL QQG 92 PHE QE 3.99 (#peak 5465;)
&rst
ixpk= 5465, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1386,1387,1388,1390,1391,1392,
igr2=1406,1410,
&end
#
# 91 VAL QQG 92 PHE HZ 4.41 (#peak 5462;)
&rst
ixpk= 5462, nxpk= 0, iat= -1,1408, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1386,1387,1388,1390,1391,1392,
&end
#
# 91 VAL QQG 108 VAL QQG 4.71 (#peak 1990;)
&rst
ixpk= 1990, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr1=1386,1387,1388,1390,1391,1392,
igr2=1642,1643,1644,1646,1647,1648,
&end
#
# 91 VAL QQG 152 SER QB 4.97 (#peak 1991;)
&rst
ixpk= 1991, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1=1386,1387,1388,1390,1391,1392,
igr2=2298,2299,
&end
#
# 91 VAL QQG 153 GLU H 4.75 (#peak 5466;)
&rst
ixpk= 5466, nxpk= 0, iat= -1,2305, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1386,1387,1388,1390,1391,1392,
&end
#
# 91 VAL QQG 153 GLU HA 3.90 (#peak 2759;)
&rst
ixpk= 2759, nxpk= 0, iat= -1,2307, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1386,1387,1388,1390,1391,1392,
&end
#
# 91 VAL QQG 153 GLU QB 4.89 (#peak 1993;)
&rst
ixpk= 1993, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1=1386,1387,1388,1390,1391,1392,
igr2=2309,2310,
&end
#
# 91 VAL QQG 153 GLU QG 3.64 (#peak 2763;)
&rst
ixpk= 2763, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1386,1387,1388,1390,1391,1392,
igr2=2312,2313,
&end
#
# 92 PHE H 92 PHE QB 3.64 (#peak 4512;)
&rst
ixpk= 4512, nxpk= 0, iat=1396, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1400,1401,
&end
#
# 92 PHE H 93 ASP QB 6.08 (#peak 4547;)
&rst
ixpk= 4547, nxpk= 0, iat=1396, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr2=1420,1421,
&end
#
# 92 PHE QB 100 ILE QD1 3.96 (#peak 2007;)
&rst
ixpk= 2007, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1400,1401,
igr2=1524,1525,1526,
&end
#
# 92 PHE QB 108 VAL QQG 5.05 (#peak 585;)
&rst
ixpk= 585, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1400,1401,
igr2=1642,1643,1644,1646,1647,1648,
&end
#
# 92 PHE QD 105 LEU QQD 5.19 (#peak 5338;)
&rst
ixpk= 5338, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1404,1412,
igr2=1585,1586,1587,1589,1590,1591,
&end
#
# 92 PHE QD 153 GLU QG 5.32 (#peak 4694;)
&rst
ixpk= 4694, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=1404,1412,
igr2=2312,2313,
&end
#
# 92 PHE QE 108 VAL QQG 3.39 (#peak 5451;)
&rst
ixpk= 5451, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1406,1410,
igr2=1642,1643,1644,1646,1647,1648,
&end
#
# 92 PHE QE 112 LEU QQD 3.89 (#peak 2014;)
&rst
ixpk= 2014, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=1406,1410,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 92 PHE HZ 108 VAL QQG 3.93 (#peak 5449;)
&rst
ixpk= 5449, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1642,1643,1644,1646,1647,1648,
&end
#
# 92 PHE HZ 112 LEU QQD 4.49 (#peak 5272;)
&rst
ixpk= 5272, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 92 PHE HZ 153 GLU QG 4.68 (#peak 4697;)
&rst
ixpk= 4697, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=2312,2313,
&end
#
# 93 ASP QB 96 GLY H 4.14 (#peak 4563;)
&rst
ixpk= 4563, nxpk= 0, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1420,1421,
&end
#
# 93 ASP QB 138 TYR QE 4.25 (#peak 4373;)
&rst
ixpk= 4373, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1420,1421,
igr2=2089,2094,
&end
#
# 94 LYS H 94 LYS QG 3.60 (#peak 190;)
&rst
ixpk= 190, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1435,1436,
&end
#
# 94 LYS QG 94 LYS QE 3.80 (#peak 2036;)
&rst
ixpk= 2036, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1435,1436,
igr2=1441,1442,
&end
#
# 94 LYS QG 95 ASP H 5.34 (#peak 189;)
&rst
ixpk= 189, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1435,1436,
&end
#
# 95 ASP H 96 GLY QA 5.17 (#peak 992;)
&rst
ixpk= 992, nxpk= 0, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1464,1465,
&end
#
# 95 ASP QB 97 ASN QD2 5.48 (#peak 2064;)
&rst
ixpk= 2064, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1454,1455,
igr2=1478,1479,
&end
#
# 97 ASN H 97 ASN QB 3.70 (#peak 1005;)
&rst
ixpk= 1005, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1473,1474,
&end
#
# 97 ASN H 97 ASN QD2 4.89 (#peak 1008;)
&rst
ixpk= 1008, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1478,1479,
&end
#
# 97 ASN QB 97 ASN QD2 3.29 (#peak 2065;)
&rst
ixpk= 2065, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1473,1474,
igr2=1478,1479,
&end
#
# 97 ASN QB 98 GLY H 4.67 (#peak 4458;)
&rst
ixpk= 4458, nxpk= 0, iat= -1,1483, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1473,1474,
&end
#
# 97 ASN QB 99 TYR QD 4.75 (#peak 2075;)
&rst
ixpk= 2075, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1473,1474,
igr2=1498,1507,
&end
#
# 98 GLY QA 99 TYR QD 5.01 (#peak 2605;)
&rst
ixpk= 2605, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1485,1486,
igr2=1498,1507,
&end
#
# 98 GLY QA 99 TYR QE 5.75 (#peak 4423;)
&rst
ixpk= 4423, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1=1485,1486,
igr2=1500,1505,
&end
#
# 98 GLY QA 138 TYR QE 4.87 (#peak 2076;)
&rst
ixpk= 2076, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1485,1486,
igr2=2089,2094,
&end
#
# 99 TYR HB2 135 GLN QG 5.12 (#peak 732;)
&rst
ixpk= 732, nxpk= 0, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2039,2040,
&end
#
# 99 TYR HB3 135 GLN QE2 5.29 (#peak 1021;)
&rst
ixpk= 1021, nxpk= 0, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=2044,2045,
&end
#
# 99 TYR QD 135 GLN QG 5.10 (#peak 734;)
&rst
ixpk= 734, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1498,1507,
igr2=2039,2040,
&end
#
# 99 TYR QE 135 GLN QG 5.45 (#peak 4755;)
&rst
ixpk= 4755, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=1500,1505,
igr2=2039,2040,
&end
#
# 99 TYR QE 137 ASN QB 3.63 (#peak 4543;)
&rst
ixpk= 4543, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1500,1505,
igr2=2069,2070,
&end
#
# 100 ILE H 135 GLN QE2 5.19 (#peak 3087;)
&rst
ixpk= 3087, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2=2044,2045,
&end
#
# 100 ILE HB 104 GLU QG 4.99 (#peak 184;)
&rst
ixpk= 184, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1568,1569,
&end
#
# 100 ILE QD1 104 GLU QG 4.80 (#peak 2142;)
&rst
ixpk= 2142, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1524,1525,1526,
igr2=1568,1569,
&end
#
# 100 ILE QD1 105 LEU QB 4.06 (#peak 2088;)
&rst
ixpk= 2088, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1524,1525,1526,
igr2=1580,1581,
&end
#
# 101 SER H 101 SER QB 3.48 (#peak 2108;)
&rst
ixpk= 2108, nxpk= 0, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1534,1535,
&end
#
# 101 SER HA 135 GLN QG 4.80 (#peak 750;)
&rst
ixpk= 750, nxpk= 0, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2039,2040,
&end
#
# 101 SER HA 135 GLN QE2 4.89 (#peak 3843;)
&rst
ixpk= 3843, nxpk= 0, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2044,2045,
&end
#
# 101 SER QB 102 ALA H 3.81 (#peak 2118;)
&rst
ixpk= 2118, nxpk= 0, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1534,1535,
&end
#
# 101 SER QB 103 ALA H 4.40 (#peak 1045;)
&rst
ixpk= 1045, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1534,1535,
&end
#
# 101 SER QB 103 ALA QB 4.60 (#peak 2133;)
&rst
ixpk= 2133, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1534,1535,
igr2=1555,1556,1557,
&end
#
# 101 SER QB 104 GLU H 4.28 (#peak 2134;)
&rst
ixpk= 2134, nxpk= 0, iat= -1,1561, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1534,1535,
&end
#
# 101 SER QB 104 GLU QB 4.05 (#peak 2148;)
&rst
ixpk= 2148, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1534,1535,
igr2=1565,1566,
&end
#
# 101 SER QB 104 GLU QG 5.25 (#peak 2143;)
&rst
ixpk= 2143, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1534,1535,
igr2=1568,1569,
&end
#
# 101 SER QB 105 LEU H 5.07 (#peak 4047;)
&rst
ixpk= 4047, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1534,1535,
&end
#
# 101 SER QB 135 GLN QE2 4.68 (#peak 1046;)
&rst
ixpk= 1046, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1534,1535,
igr2=2044,2045,
&end
#
# 102 ALA HA 105 LEU QB 4.17 (#peak 2166;)
&rst
ixpk= 2166, nxpk= 0, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1580,1581,
&end
#
# 102 ALA HA 105 LEU QQD 4.54 (#peak 442;)
&rst
ixpk= 442, nxpk= 0, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1585,1586,1587,1589,1590,1591,
&end
#
# 102 ALA QB 134 GLY QA 4.14 (#peak 2545;)
&rst
ixpk= 2545, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1545,1546,1547,
igr2=2027,2028,
&end
#
# 103 ALA HA 106 ARG QD 4.63 (#peak 2132;)
&rst
ixpk= 2132, nxpk= 0, iat=1553, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1605,1606,
&end
#
# 104 GLU H 105 LEU QB 6.26 (#peak 4866;)
&rst
ixpk= 4866, nxpk= 0, iat=1561, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2=1580,1581,
&end
#
# 104 GLU HA 107 HIS QB 3.77 (#peak 2214;)
&rst
ixpk= 2214, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1623,1624,
&end
#
# 104 GLU QB 108 VAL QQG 4.84 (#peak 490;)
&rst
ixpk= 490, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1=1565,1566,
igr2=1642,1643,1644,1646,1647,1648,
&end
#
# 104 GLU QG 105 LEU H 4.73 (#peak 1063;)
&rst
ixpk= 1063, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1568,1569,
&end
#
# 104 GLU QG 108 VAL QQG 4.05 (#peak 2146;)
&rst
ixpk= 2146, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1568,1569,
igr2=1642,1643,1644,1646,1647,1648,
&end
#
# 105 LEU H 108 VAL QQG 5.00 (#peak 5425;)
&rst
ixpk= 5425, nxpk= 0, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1642,1643,1644,1646,1647,1648,
&end
#
# 105 LEU HA 105 LEU QQD 3.35 (#peak 2161;)
&rst
ixpk= 2161, nxpk= 0, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1585,1586,1587,1589,1590,1591,
&end
#
# 105 LEU HA 108 VAL QQG 3.66 (#peak 2164;)
&rst
ixpk= 2164, nxpk= 0, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1642,1643,1644,1646,1647,1648,
&end
#
# 105 LEU QB 106 ARG H 4.11 (#peak 191;)
&rst
ixpk= 191, nxpk= 0, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1580,1581,
&end
#
# 105 LEU QB 109 MET QG 5.33 (#peak 2169;)
&rst
ixpk= 2169, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1=1580,1581,
igr2=1659,1660,
&end
#
# 105 LEU HG 109 MET QG 5.45 (#peak 2169;)
&rst
ixpk= 2169, nxpk= 0, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1659,1660,
&end
#
# 105 LEU QQD 106 ARG H 4.75 (#peak 5383;)
&rst
ixpk= 5383, nxpk= 0, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1585,1586,1587,1589,1590,1591,
&end
#
# 105 LEU QQD 109 MET H 5.05 (#peak 1073;)
&rst
ixpk= 1073, nxpk= 0, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1585,1586,1587,1589,1590,1591,
&end
#
# 105 LEU QQD 109 MET QG 3.94 (#peak 2264;)
&rst
ixpk= 2264, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1585,1586,1587,1589,1590,1591,
igr2=1659,1660,
&end
#
# 105 LEU QQD 109 MET QE 3.72 (#peak 2173;)
&rst
ixpk= 2173, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1585,1586,1587,1589,1590,1591,
igr2=1663,1664,1665,
&end
#
# 105 LEU QQD 136 VAL HB 4.90 (#peak 2258;)
&rst
ixpk= 2258, nxpk= 0, iat= -1,2053, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1585,1586,1587,1589,1590,1591,
&end
#
# 105 LEU QQD 136 VAL QG1 4.15 (#peak 26;)
&rst
ixpk= 26, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1=1585,1586,1587,1589,1590,1591,
igr2=2055,2056,2057,
&end
#
# 105 LEU QQD 141 PHE QD 5.26 (#peak 5334;)
&rst
ixpk= 5334, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
igr1=1585,1586,1587,1589,1590,1591,
igr2=2138,2146,
&end
#
# 105 LEU QQD 141 PHE QE 4.82 (#peak 595;)
&rst
ixpk= 595, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1=1585,1586,1587,1589,1590,1591,
igr2=2140,2144,
&end
#
# 105 LEU QQD 160 ILE QD1 4.48 (#peak 658;)
&rst
ixpk= 658, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1=1585,1586,1587,1589,1590,1591,
igr2=2418,2419,2420,
&end
#
# 106 ARG H 121 VAL QQG 4.87 (#peak 5252;)
&rst
ixpk= 5252, nxpk= 0, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1841,1842,1843,1845,1846,1847,
&end
#
# 106 ARG HA 109 MET QB 4.82 (#peak 2259;)
&rst
ixpk= 2259, nxpk= 0, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1656,1657,
&end
#
# 106 ARG HA 121 VAL QQG 3.71 (#peak 2188;)
&rst
ixpk= 2188, nxpk= 0, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1841,1842,1843,1845,1846,1847,
&end
#
# 106 ARG QG 121 VAL QQG 3.86 (#peak 2201;)
&rst
ixpk= 2201, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1602,1603,
igr2=1841,1842,1843,1845,1846,1847,
&end
#
# 106 ARG HE 121 VAL QQG 5.42 (#peak 1204;)
&rst
ixpk= 1204, nxpk= 0, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr2=1841,1842,1843,1845,1846,1847,
&end
#
# 107 HIS H 108 VAL QQG 4.51 (#peak 5411;)
&rst
ixpk= 5411, nxpk= 0, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1642,1643,1644,1646,1647,1648,
&end
#
# 107 HIS QB 108 VAL H 3.66 (#peak 4336;)
&rst
ixpk= 4336, nxpk= 0, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1623,1624,
&end
#
# 107 HIS HD2 108 VAL QQG 4.45 (#peak 593;)
&rst
ixpk= 593, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1642,1643,1644,1646,1647,1648,
&end
#
# 107 HIS HD2 112 LEU QQD 5.11 (#peak 5281;)
&rst
ixpk= 5281, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 108 VAL H 108 VAL QQG 3.19 (#peak 5409;)
&rst
ixpk= 5409, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1642,1643,1644,1646,1647,1648,
&end
#
# 108 VAL H 112 LEU QQD 4.89 (#peak 1144;)
&rst
ixpk= 1144, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 108 VAL HA 112 LEU QQD 3.78 (#peak 2226;)
&rst
ixpk= 2226, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 108 VAL HB 112 LEU QQD 4.35 (#peak 2318;)
&rst
ixpk= 2318, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 108 VAL QQG 109 MET H 3.70 (#peak 2246;)
&rst
ixpk= 2246, nxpk= 0, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1642,1643,1644,1646,1647,1648,
&end
#
# 108 VAL QQG 109 MET HA 5.08 (#peak 2252;)
&rst
ixpk= 2252, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1642,1643,1644,1646,1647,1648,
&end
#
# 108 VAL QQG 109 MET QG 5.60 (#peak 585;)
&rst
ixpk= 585, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1=1642,1643,1644,1646,1647,1648,
igr2=1659,1660,
&end
#
# 108 VAL QQG 110 THR H 5.48 (#peak 5412;)
&rst
ixpk= 5412, nxpk= 0, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1642,1643,1644,1646,1647,1648,
&end
#
# 108 VAL QQG 112 LEU H 4.98 (#peak 5448;)
&rst
ixpk= 5448, nxpk= 0, iat= -1,1697, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=1642,1643,1644,1646,1647,1648,
&end
#
# 108 VAL QQG 112 LEU QB 4.16 (#peak 667;)
&rst
ixpk= 667, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1642,1643,1644,1646,1647,1648,
igr2=1701,1702,
&end
#
# 108 VAL QQG 112 LEU QQD 3.37 (#peak 674;)
&rst
ixpk= 674, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1642,1643,1644,1646,1647,1648,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 108 VAL QQG 153 GLU QG 5.72 (#peak 2764;)
&rst
ixpk= 2764, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1642,1643,1644,1646,1647,1648,
igr2=2312,2313,
&end
#
# 108 VAL QQG 157 ALA HA 4.62 (#peak 2235;)
&rst
ixpk= 2235, nxpk= 0, iat= -1,2364, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1642,1643,1644,1646,1647,1648,
&end
#
# 108 VAL QQG 157 ALA QB 3.87 (#peak 2236;)
&rst
ixpk= 2236, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1642,1643,1644,1646,1647,1648,
igr2=2366,2367,2368,
&end
#
# 109 MET H 109 MET QB 3.76 (#peak 1110;)
&rst
ixpk= 1110, nxpk= 0, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1656,1657,
&end
#
# 109 MET H 112 LEU QQD 5.18 (#peak 5277;)
&rst
ixpk= 5277, nxpk= 0, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 109 MET H 116 LEU QQD 6.07 (#peak 5362;)
&rst
ixpk= 5362, nxpk= 0, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 109 MET H 121 VAL QQG 5.37 (#peak 2251;)
&rst
ixpk= 2251, nxpk= 0, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr2=1841,1842,1843,1845,1846,1847,
&end
#
# 109 MET HA 121 VAL QQG 5.54 (#peak 716;)
&rst
ixpk= 716, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr2=1841,1842,1843,1845,1846,1847,
&end
#
# 109 MET QB 111 ASN H 6.03 (#peak 214;)
&rst
ixpk= 214, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=1656,1657,
&end
#
# 109 MET QB 116 LEU QQD 4.15 (#peak 717;)
&rst
ixpk= 717, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1656,1657,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 109 MET QB 121 VAL QQG 3.71 (#peak 2429;)
&rst
ixpk= 2429, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1656,1657,
igr2=1841,1842,1843,1845,1846,1847,
&end
#
# 109 MET QG 109 MET QE 3.51 (#peak 2263;)
&rst
ixpk= 2263, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1659,1660,
igr2=1663,1664,1665,
&end
#
# 109 MET QG 116 LEU QQD 4.66 (#peak 2267;)
&rst
ixpk= 2267, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1=1659,1660,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 109 MET QG 121 VAL QQG 4.46 (#peak 2268;)
&rst
ixpk= 2268, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=1659,1660,
igr2=1841,1842,1843,1845,1846,1847,
&end
#
# 109 MET QG 124 MET QE 4.61 (#peak 2269;)
&rst
ixpk= 2269, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1659,1660,
igr2=1889,1890,1891,
&end
#
# 110 THR QG2 121 VAL QQG 4.05 (#peak 2286;)
&rst
ixpk= 2286, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1675,1676,1677,
igr2=1841,1842,1843,1845,1846,1847,
&end
#
# 111 ASN H 111 ASN QB 3.66 (#peak 1130;)
&rst
ixpk= 1130, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1687,1688,
&end
#
# 111 ASN H 112 LEU QQD 4.81 (#peak 1145;)
&rst
ixpk= 1145, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 111 ASN HA 115 LYS QD 4.34 (#peak 329;)
&rst
ixpk= 329, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1748,1749,
&end
#
# 111 ASN QB 111 ASN HD22 3.75 (#peak 2301;)
&rst
ixpk= 2301, nxpk= 0, iat= -1,1693, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1687,1688,
&end
#
# 111 ASN QB 112 LEU H 3.96 (#peak 1131;)
&rst
ixpk= 1131, nxpk= 0, iat= -1,1697, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1687,1688,
&end
#
# 111 ASN QB 112 LEU QQD 4.63 (#peak 2320;)
&rst
ixpk= 2320, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1687,1688,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 111 ASN HD21 112 LEU QQD 4.24 (#peak 5290;)
&rst
ixpk= 5290, nxpk= 0, iat=1692, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 111 ASN HD22 112 LEU QQD 5.04 (#peak 5293;)
&rst
ixpk= 5293, nxpk= 0, iat=1693, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 112 LEU H 112 LEU QB 3.46 (#peak 5123;)
&rst
ixpk= 5123, nxpk= 0, iat=1697, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1701,1702,
&end
#
# 112 LEU H 112 LEU QQD 3.84 (#peak 5287;)
&rst
ixpk= 5287, nxpk= 0, iat=1697, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 112 LEU HA 112 LEU QQD 3.45 (#peak 671;)
&rst
ixpk= 671, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 112 LEU QB 113 GLY H 4.15 (#peak 4897;)
&rst
ixpk= 4897, nxpk= 0, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1701,1702,
&end
#
# 112 LEU QB 113 GLY QA 5.30 (#peak 3161;)
&rst
ixpk= 3161, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1=1701,1702,
igr2=1718,1719,
&end
#
# 112 LEU QB 154 GLU HA 4.07 (#peak 663;)
&rst
ixpk= 663, nxpk= 0, iat= -1,2322, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1701,1702,
&end
#
# 112 LEU QB 157 ALA H 5.59 (#peak 4908;)
&rst
ixpk= 4908, nxpk= 0, iat= -1,2362, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1701,1702,
&end
#
# 112 LEU QQD 113 GLY H 4.11 (#peak 5275;)
&rst
ixpk= 5275, nxpk= 0, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1706,1707,1708,1710,1711,1712,
&end
#
# 112 LEU QQD 153 GLU HA 4.91 (#peak 669;)
&rst
ixpk= 669, nxpk= 0, iat= -1,2307, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1706,1707,1708,1710,1711,1712,
&end
#
# 112 LEU QQD 153 GLU QB 3.54 (#peak 2765;)
&rst
ixpk= 2765, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1706,1707,1708,1710,1711,1712,
igr2=2309,2310,
&end
#
# 112 LEU QQD 153 GLU QG 5.22 (#peak 670;)
&rst
ixpk= 670, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1=1706,1707,1708,1710,1711,1712,
igr2=2312,2313,
&end
#
# 112 LEU QQD 154 GLU H 3.77 (#peak 5298;)
&rst
ixpk= 5298, nxpk= 0, iat= -1,2320, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1706,1707,1708,1710,1711,1712,
&end
#
# 112 LEU QQD 154 GLU HA 3.64 (#peak 2317;)
&rst
ixpk= 2317, nxpk= 0, iat= -1,2322, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1706,1707,1708,1710,1711,1712,
&end
#
# 112 LEU QQD 154 GLU QB 3.84 (#peak 533;)
&rst
ixpk= 533, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1706,1707,1708,1710,1711,1712,
igr2=2324,2325,
&end
#
# 112 LEU QQD 154 GLU QG 4.12 (#peak 2774;)
&rst
ixpk= 2774, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1706,1707,1708,1710,1711,1712,
igr2=2327,2328,
&end
#
# 112 LEU QQD 155 VAL H 6.08 (#peak 5278;)
&rst
ixpk= 5278, nxpk= 0, iat= -1,2335, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1=1706,1707,1708,1710,1711,1712,
&end
#
# 112 LEU QQD 157 ALA H 5.12 (#peak 1143;)
&rst
ixpk= 1143, nxpk= 0, iat= -1,2362, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1706,1707,1708,1710,1711,1712,
&end
#
# 112 LEU QQD 157 ALA QB 3.71 (#peak 668;)
&rst
ixpk= 668, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1706,1707,1708,1710,1711,1712,
igr2=2366,2367,2368,
&end
#
# 113 GLY QA 158 MET QG 3.99 (#peak 2328;)
&rst
ixpk= 2328, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1718,1719,
igr2=2379,2380,
&end
#
# 114 GLU H 158 MET QG 4.08 (#peak 4591;)
&rst
ixpk= 4591, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=2379,2380,
&end
#
# 114 GLU HA 115 LYS QG 4.98 (#peak 2337;)
&rst
ixpk= 2337, nxpk= 0, iat=1725, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1745,1746,
&end
#
# 115 LYS H 115 LYS QD 4.46 (#peak 347;)
&rst
ixpk= 347, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1748,1749,
&end
#
# 115 LYS QG 116 LEU H 5.75 (#peak 5308;)
&rst
ixpk= 5308, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1745,1746,
&end
#
# 116 LEU HA 116 LEU QQD 3.75 (#peak 2372;)
&rst
ixpk= 2372, nxpk= 0, iat=1762, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 116 LEU QB 120 GLU QB 4.80 (#peak 651;)
&rst
ixpk= 651, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1764,1765,
igr2=1824,1825,
&end
#
# 116 LEU QB 161 GLN QG 6.21 (#peak 522;)
&rst
ixpk= 522, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1764,1765,
igr2=2431,2432,
&end
#
# 116 LEU QQD 117 THR H 3.93 (#peak 5227;)
&rst
ixpk= 5227, nxpk= 0, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1769,1770,1771,1773,1774,1775,
&end
#
# 116 LEU QQD 120 GLU QB 3.68 (#peak 495;)
&rst
ixpk= 495, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1769,1770,1771,1773,1774,1775,
igr2=1824,1825,
&end
#
# 116 LEU QD2 120 GLU HB2 6.22 (#peak 495;)
&rst
ixpk= 495, nxpk= 0, iat= -1,1824, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=1773,1774,1775,
&end
#
# 116 LEU QQD 120 GLU QG 4.76 (#peak 676;)
&rst
ixpk= 676, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1769,1770,1771,1773,1774,1775,
igr2=1827,1828,
&end
#
# 116 LEU QQD 121 VAL H 4.49 (#peak 5361;)
&rst
ixpk= 5361, nxpk= 0, iat= -1,1835, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1769,1770,1771,1773,1774,1775,
&end
#
# 116 LEU QQD 121 VAL HA 4.12 (#peak 2419;)
&rst
ixpk= 2419, nxpk= 0, iat= -1,1837, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1769,1770,1771,1773,1774,1775,
&end
#
# 116 LEU QQD 124 MET H 5.93 (#peak 5357;)
&rst
ixpk= 5357, nxpk= 0, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1=1769,1770,1771,1773,1774,1775,
&end
#
# 116 LEU QQD 124 MET QE 3.57 (#peak 2376;)
&rst
ixpk= 2376, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1769,1770,1771,1773,1774,1775,
igr2=1889,1890,1891,
&end
#
# 116 LEU QQD 161 GLN QB 3.54 (#peak 496;)
&rst
ixpk= 496, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1769,1770,1771,1773,1774,1775,
igr2=2428,2429,
&end
#
# 116 LEU QQD 161 GLN QG 3.66 (#peak 3101;)
&rst
ixpk= 3101, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1769,1770,1771,1773,1774,1775,
igr2=2431,2432,
&end
#
# 116 LEU QQD 164 PHE QD 3.75 (#peak 5354;)
&rst
ixpk= 5354, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1769,1770,1771,1773,1774,1775,
igr2=2483,2491,
&end
#
# 116 LEU QQD 165 ARG QG 5.03 (#peak 2379;)
&rst
ixpk= 2379, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1769,1770,1771,1773,1774,1775,
igr2=2502,2503,
&end
#
# 116 LEU QQD 165 ARG HE 5.15 (#peak 1169;)
&rst
ixpk= 1169, nxpk= 0, iat= -1,2508, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=1769,1770,1771,1773,1774,1775,
&end
#
# 117 THR HA 118 ASP QB 4.90 (#peak 469;)
&rst
ixpk= 469, nxpk= 0, iat=1781, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1797,1798,
&end
#
# 117 THR QG2 118 ASP QB 6.48 (#peak 470;)
&rst
ixpk= 470, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.74, r4= 9.24,
igr1=1785,1786,1787,
igr2=1797,1798,
&end
#
# 117 THR QG2 120 GLU QB 6.58 (#peak 470;)
&rst
ixpk= 470, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
igr1=1785,1786,1787,
igr2=1824,1825,
&end
#
# 118 ASP H 118 ASP QB 3.37 (#peak 1179;)
&rst
ixpk= 1179, nxpk= 0, iat=1793, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1797,1798,
&end
#
# 118 ASP H 121 VAL QQG 4.42 (#peak 5225;)
&rst
ixpk= 5225, nxpk= 0, iat=1793, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1841,1842,1843,1845,1846,1847,
&end
#
# 118 ASP HA 121 VAL QQG 3.46 (#peak 2394;)
&rst
ixpk= 2394, nxpk= 0, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1841,1842,1843,1845,1846,1847,
&end
#
# 118 ASP QB 119 GLU H 3.59 (#peak 1180;)
&rst
ixpk= 1180, nxpk= 0, iat= -1,1805, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1797,1798,
&end
#
# 119 GLU H 121 VAL QQG 4.85 (#peak 1205;)
&rst
ixpk= 1205, nxpk= 0, iat=1805, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2=1841,1842,1843,1845,1846,1847,
&end
#
# 119 GLU HA 121 VAL QQG 5.34 (#peak 679;)
&rst
ixpk= 679, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr2=1841,1842,1843,1845,1846,1847,
&end
#
# 119 GLU HA 122 ASP QB 3.97 (#peak 2438;)
&rst
ixpk= 2438, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1855,1856,
&end
#
# 120 GLU H 120 GLU QB 3.69 (#peak 4822;)
&rst
ixpk= 4822, nxpk= 0, iat=1820, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1824,1825,
&end
#
# 120 GLU H 120 GLU QG 3.94 (#peak 1197;)
&rst
ixpk= 1197, nxpk= 0, iat=1820, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1827,1828,
&end
#
# 120 GLU H 121 VAL QQG 4.62 (#peak 5223;)
&rst
ixpk= 5223, nxpk= 0, iat=1820, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1841,1842,1843,1845,1846,1847,
&end
#
# 120 GLU HA 121 VAL QQG 6.11 (#peak 679;)
&rst
ixpk= 679, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
igr2=1841,1842,1843,1845,1846,1847,
&end
#
# 120 GLU HA 168 LEU QQD 4.13 (#peak 2407;)
&rst
ixpk= 2407, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2569,2570,2571,2573,2574,2575,
&end
#
# 120 GLU QB 121 VAL H 3.74 (#peak 4801;)
&rst
ixpk= 4801, nxpk= 0, iat= -1,1835, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1824,1825,
&end
#
# 120 GLU QB 122 ASP H 5.69 (#peak 4519;)
&rst
ixpk= 4519, nxpk= 0, iat= -1,1851, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1824,1825,
&end
#
# 120 GLU QB 164 PHE QD 5.92 (#peak 4824;)
&rst
ixpk= 4824, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1=1824,1825,
igr2=2483,2491,
&end
#
# 120 GLU QB 164 PHE QE 4.35 (#peak 4817;)
&rst
ixpk= 4817, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1824,1825,
igr2=2485,2489,
&end
#
# 120 GLU QG 121 VAL H 5.82 (#peak 4699;)
&rst
ixpk= 4699, nxpk= 0, iat= -1,1835, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1827,1828,
&end
#
# 120 GLU QG 168 LEU QQD 4.13 (#peak 498;)
&rst
ixpk= 498, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=1827,1828,
igr2=2569,2570,2571,2573,2574,2575,
&end
#
# 121 VAL H 121 VAL QQG 3.41 (#peak 5216;)
&rst
ixpk= 5216, nxpk= 0, iat=1835, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1841,1842,1843,1845,1846,1847,
&end
#
# 121 VAL QQG 122 ASP H 3.36 (#peak 5217;)
&rst
ixpk= 5217, nxpk= 0, iat= -1,1851, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1841,1842,1843,1845,1846,1847,
&end
#
# 121 VAL QQG 122 ASP QB 4.90 (#peak 2426;)
&rst
ixpk= 2426, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1841,1842,1843,1845,1846,1847,
igr2=1855,1856,
&end
#
# 121 VAL QQG 123 GLU H 4.44 (#peak 5215;)
&rst
ixpk= 5215, nxpk= 0, iat= -1,1863, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1841,1842,1843,1845,1846,1847,
&end
#
# 121 VAL QQG 124 MET H 6.03 (#peak 2251;)
&rst
ixpk= 2251, nxpk= 0, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
igr1=1841,1842,1843,1845,1846,1847,
&end
#
# 122 ASP HA 125 ILE QG1 5.02 (#peak 2477;)
&rst
ixpk= 2477, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1905,1906,
&end
#
# 122 ASP QB 123 GLU H 3.81 (#peak 1215;)
&rst
ixpk= 1215, nxpk= 0, iat= -1,1863, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1855,1856,
&end
#
# 123 GLU H 123 GLU QG 4.33 (#peak 3163;)
&rst
ixpk= 3163, nxpk= 0, iat=1863, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1870,1871,
&end
#
# 123 GLU HA 126 ARG QB 3.89 (#peak 2504;)
&rst
ixpk= 2504, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1918,1919,
&end
#
# 123 GLU HA 126 ARG QG 4.90 (#peak 2506;)
&rst
ixpk= 2506, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1921,1922,
&end
#
# 123 GLU QB 168 LEU QQD 3.90 (#peak 2452;)
&rst
ixpk= 2452, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1867,1868,
igr2=2569,2570,2571,2573,2574,2575,
&end
#
# 123 GLU QG 124 MET H 4.91 (#peak 4589;)
&rst
ixpk= 4589, nxpk= 0, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1870,1871,
&end
#
# 123 GLU QG 164 PHE QE 5.20 (#peak 4568;)
&rst
ixpk= 4568, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1870,1871,
igr2=2485,2489,
&end
#
# 123 GLU QG 168 LEU QQD 3.75 (#peak 2449;)
&rst
ixpk= 2449, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1870,1871,
igr2=2569,2570,2571,2573,2574,2575,
&end
#
# 124 MET H 126 ARG QB 5.79 (#peak 4780;)
&rst
ixpk= 4780, nxpk= 0, iat=1878, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1918,1919,
&end
#
# 124 MET H 168 LEU QQD 6.29 (#peak 5357;)
&rst
ixpk= 5357, nxpk= 0, iat=1878, -1, r1= 1.30, r2= 1.80, r3= 8.48, r4= 8.98,
igr2=2569,2570,2571,2573,2574,2575,
&end
#
# 125 ILE H 125 ILE QG1 3.56 (#peak 5087;)
&rst
ixpk= 5087, nxpk= 0, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1905,1906,
&end
#
# 125 ILE H 126 ARG QB 4.51 (#peak 4792;)
&rst
ixpk= 4792, nxpk= 0, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1918,1919,
&end
#
# 125 ILE QG2 129 ASP QB 4.12 (#peak 2497;)
&rst
ixpk= 2497, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1901,1902,1903,
igr2=1967,1968,
&end
#
# 125 ILE QG1 126 ARG H 4.59 (#peak 5088;)
&rst
ixpk= 5088, nxpk= 0, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1905,1906,
&end
#
# 126 ARG H 126 ARG QB 3.32 (#peak 2968;)
&rst
ixpk= 2968, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1918,1919,
&end
#
# 126 ARG H 126 ARG QG 4.25 (#peak 2502;)
&rst
ixpk= 2502, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1921,1922,
&end
#
# 126 ARG QB 126 ARG HE 4.81 (#peak 4836;)
&rst
ixpk= 4836, nxpk= 0, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1918,1919,
&end
#
# 126 ARG QG 127 GLU H 6.10 (#peak 4991;)
&rst
ixpk= 4991, nxpk= 0, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1921,1922,
&end
#
# 127 GLU H 127 GLU QG 3.96 (#peak 1256;)
&rst
ixpk= 1256, nxpk= 0, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1945,1946,
&end
#
# 127 GLU HA 127 GLU QG 3.76 (#peak 518;)
&rst
ixpk= 518, nxpk= 0, iat=1940, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1945,1946,
&end
#
# 127 GLU HA 130 ILE QG1 4.87 (#peak 2515;)
&rst
ixpk= 2515, nxpk= 0, iat=1940, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1985,1986,
&end
#
# 127 GLU QB 128 ALA H 3.54 (#peak 218;)
&rst
ixpk= 218, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1=1942,1943,
&end
#
# 127 GLU QB 141 PHE QD 5.66 (#peak 4675;)
&rst
ixpk= 4675, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1=1942,1943,
igr2=2138,2146,
&end
#
# 127 GLU QB 141 PHE QE 4.07 (#peak 4670;)
&rst
ixpk= 4670, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1942,1943,
igr2=2140,2144,
&end
#
# 129 ASP H 129 ASP QB 3.46 (#peak 1263;)
&rst
ixpk= 1263, nxpk= 0, iat=1963, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1967,1968,
&end
#
# 129 ASP QB 130 ILE H 4.27 (#peak 4437;)
&rst
ixpk= 4437, nxpk= 0, iat= -1,1975, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1967,1968,
&end
#
# 129 ASP QB 136 VAL QG2 4.83 (#peak 2531;)
&rst
ixpk= 2531, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1967,1968,
igr2=2059,2060,2061,
&end
#
# 130 ILE H 130 ILE QG1 3.66 (#peak 5013;)
&rst
ixpk= 5013, nxpk= 0, iat=1975, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1985,1986,
&end
#
# 132 GLY QA 133 ASP HA 4.53 (#peak 2544;)
&rst
ixpk= 2544, nxpk= 0, iat= -1,2015, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=2008,2009,
&end
#
# 135 GLN H 135 GLN QG 4.49 (#peak 2550;)
&rst
ixpk= 2550, nxpk= 0, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=2039,2040,
&end
#
# 135 GLN QG 135 GLN QE2 3.39 (#peak 228;)
&rst
ixpk= 228, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=2039,2040,
igr2=2044,2045,
&end
#
# 137 ASN H 137 ASN QD2 4.89 (#peak 3038;)
&rst
ixpk= 3038, nxpk= 0, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2074,2075,
&end
#
# 137 ASN HA 137 ASN QD2 4.87 (#peak 3911;)
&rst
ixpk= 3911, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=2074,2075,
&end
#
# 137 ASN HA 139 GLU QB 6.26 (#peak 772;)
&rst
ixpk= 772, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2=2104,2105,
&end
#
# 137 ASN QB 138 TYR H 4.44 (#peak 4405;)
&rst
ixpk= 4405, nxpk= 0, iat= -1,2079, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=2069,2070,
&end
#
# 137 ASN QB 140 GLU H 4.88 (#peak 4416;)
&rst
ixpk= 4416, nxpk= 0, iat= -1,2115, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=2069,2070,
&end
#
# 137 ASN QD2 140 GLU H 4.69 (#peak 3660;)
&rst
ixpk= 3660, nxpk= 0, iat= -1,2115, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=2074,2075,
&end
#
# 137 ASN QD2 140 GLU QG 4.35 (#peak 351;)
&rst
ixpk= 351, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=2074,2075,
igr2=2122,2123,
&end
#
# 138 TYR HA 141 PHE QB 3.72 (#peak 3166;)
&rst
ixpk= 3166, nxpk= 0, iat=2081, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=2134,2135,
&end
#
# 138 TYR QD 139 GLU QB 6.02 (#peak 4879;)
&rst
ixpk= 4879, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr1=2087,2096,
igr2=2104,2105,
&end
#
# 138 TYR QD 139 GLU QG 4.77 (#peak 4752;)
&rst
ixpk= 4752, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=2087,2096,
igr2=2107,2108,
&end
#
# 138 TYR QD 142 VAL QQG 3.95 (#peak 5158;)
&rst
ixpk= 5158, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=2087,2096,
igr2=2156,2157,2158,2160,2161,2162,
&end
#
# 138 TYR QE 142 VAL QQG 5.24 (#peak 5164;)
&rst
ixpk= 5164, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2089,2094,
igr2=2156,2157,2158,2160,2161,2162,
&end
#
# 139 GLU H 139 GLU QB 3.28 (#peak 1307;)
&rst
ixpk= 1307, nxpk= 0, iat=2100, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=2104,2105,
&end
#
# 139 GLU H 139 GLU QG 3.63 (#peak 4743;)
&rst
ixpk= 4743, nxpk= 0, iat=2100, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=2107,2108,
&end
#
# 139 GLU HA 142 VAL QQG 4.08 (#peak 2650;)
&rst
ixpk= 2650, nxpk= 0, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2156,2157,2158,2160,2161,2162,
&end
#
# 139 GLU QB 140 GLU H 3.55 (#peak 130;)
&rst
ixpk= 130, nxpk= 0, iat= -1,2115, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=2104,2105,
&end
#
# 139 GLU QG 140 GLU H 4.27 (#peak 1306;)
&rst
ixpk= 1306, nxpk= 0, iat= -1,2115, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=2107,2108,
&end
#
# 140 GLU HA 140 GLU QG 3.71 (#peak 2617;)
&rst
ixpk= 2617, nxpk= 0, iat=2117, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=2122,2123,
&end
#
# 141 PHE H 141 PHE QB 3.63 (#peak 2619;)
&rst
ixpk= 2619, nxpk= 0, iat=2130, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=2134,2135,
&end
#
# 141 PHE H 142 VAL QQG 5.60 (#peak 1332;)
&rst
ixpk= 1332, nxpk= 0, iat=2130, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr2=2156,2157,2158,2160,2161,2162,
&end
#
# 141 PHE HA 144 MET QB 4.62 (#peak 2623;)
&rst
ixpk= 2623, nxpk= 0, iat=2132, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2187,2188,
&end
#
# 141 PHE QB 142 VAL H 3.95 (#peak 4365;)
&rst
ixpk= 4365, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=2134,2135,
&end
#
# 141 PHE QB 144 MET H 5.95 (#peak 1323;)
&rst
ixpk= 1323, nxpk= 0, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1=2134,2135,
&end
#
# 141 PHE QD 142 VAL QQG 4.66 (#peak 5155;)
&rst
ixpk= 5155, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1=2138,2146,
igr2=2156,2157,2158,2160,2161,2162,
&end
#
# 141 PHE QD 144 MET QB 5.00 (#peak 4716;)
&rst
ixpk= 4716, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2138,2146,
igr2=2187,2188,
&end
#
# 141 PHE QE 142 VAL QQG 6.06 (#peak 5151;)
&rst
ixpk= 5151, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.17, r4= 9.67,
igr1=2140,2144,
igr2=2156,2157,2158,2160,2161,2162,
&end
#
# 142 VAL H 142 VAL QQG 3.42 (#peak 5161;)
&rst
ixpk= 5161, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=2156,2157,2158,2160,2161,2162,
&end
#
# 142 VAL QQG 143 GLN H 3.76 (#peak 5249;)
&rst
ixpk= 5249, nxpk= 0, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=2156,2157,2158,2160,2161,2162,
&end
#
# 142 VAL QQG 143 GLN HA 4.58 (#peak 2648;)
&rst
ixpk= 2648, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2156,2157,2158,2160,2161,2162,
&end
#
# 142 VAL QQG 143 GLN QG 6.17 (#peak 761;)
&rst
ixpk= 761, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2156,2157,2158,2160,2161,2162,
igr2=2173,2174,
&end
#
# 142 VAL QQG 144 MET H 6.34 (#peak 5153;)
&rst
ixpk= 5153, nxpk= 0, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1=2156,2157,2158,2160,2161,2162,
&end
#
# 143 GLN H 143 GLN QB 3.36 (#peak 4724;)
&rst
ixpk= 4724, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2170,2171,
&end
#
# 143 GLN HA 143 GLN QE2 4.51 (#peak 4172;)
&rst
ixpk= 4172, nxpk= 0, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=2178,2179,
&end
#
# 143 GLN QB 144 MET H 4.28 (#peak 231;)
&rst
ixpk= 231, nxpk= 0, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2170,2171,
&end
#
# 143 GLN QG 143 GLN QE2 3.00 (#peak 4603;)
&rst
ixpk= 4603, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2173,2174,
igr2=2178,2179,
&end
#
# 144 MET H 144 MET QB 3.49 (#peak 4715;)
&rst
ixpk= 4715, nxpk= 0, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=2187,2188,
&end
#
# 144 MET H 144 MET QG 4.21 (#peak 4509;)
&rst
ixpk= 4509, nxpk= 0, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=2190,2191,
&end
#
# 144 MET HA 144 MET QG 3.86 (#peak 2664;)
&rst
ixpk= 2664, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=2190,2191,
&end
#
# 144 MET QB 145 MET H 3.86 (#peak 4678;)
&rst
ixpk= 4678, nxpk= 0, iat= -1,2200, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=2187,2188,
&end
#
# 145 MET H 145 MET QB 3.46 (#peak 4930;)
&rst
ixpk= 4930, nxpk= 0, iat=2200, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=2204,2205,
&end
#
# 145 MET QB 146 THR H 4.16 (#peak 4899;)
&rst
ixpk= 4899, nxpk= 0, iat= -1,2217, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=2204,2205,
&end
#
# 145 MET QB 146 THR QG2 5.01 (#peak 2698;)
&rst
ixpk= 2698, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=2204,2205,
igr2=2223,2224,2225,
&end
#
# 148 LYS H 148 LYS QB 3.39 (#peak 1367;)
&rst
ixpk= 1367, nxpk= 0, iat=2241, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=2245,2246,
&end
#
# 152 SER H 152 SER QB 3.66 (#peak 4169;)
&rst
ixpk= 4169, nxpk= 0, iat=2294, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=2298,2299,
&end
#
# 152 SER QB 153 GLU H 4.09 (#peak 4094;)
&rst
ixpk= 4094, nxpk= 0, iat= -1,2305, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=2298,2299,
&end
#
# 152 SER QB 153 GLU QB 4.53 (#peak 2784;)
&rst
ixpk= 2784, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=2298,2299,
igr2=2309,2310,
&end
#
# 152 SER QB 155 VAL QG2 4.65 (#peak 2787;)
&rst
ixpk= 2787, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=2298,2299,
igr2=2345,2346,2347,
&end
#
# 153 GLU HA 153 GLU QG 3.28 (#peak 532;)
&rst
ixpk= 532, nxpk= 0, iat=2307, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=2312,2313,
&end
#
# 157 ALA QB 158 MET QG 4.58 (#peak 2814;)
&rst
ixpk= 2814, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2366,2367,2368,
igr2=2379,2380,
&end
#
# 158 MET H 158 MET QG 3.74 (#peak 1416;)
&rst
ixpk= 1416, nxpk= 0, iat=2372, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2379,2380,
&end
#
# 158 MET H 159 VAL QQG 4.94 (#peak 1428;)
&rst
ixpk= 1428, nxpk= 0, iat=2372, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2=2395,2396,2397,2399,2400,2401,
&end
#
# 158 MET HA 161 GLN QB 4.75 (#peak 320;)
&rst
ixpk= 320, nxpk= 0, iat=2374, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2428,2429,
&end
#
# 159 VAL H 159 VAL QQG 3.14 (#peak 5190;)
&rst
ixpk= 5190, nxpk= 0, iat=2389, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=2395,2396,2397,2399,2400,2401,
&end
#
# 159 VAL HA 159 VAL QQG 3.26 (#peak 2825;)
&rst
ixpk= 2825, nxpk= 0, iat=2391, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=2395,2396,2397,2399,2400,2401,
&end
#
# 159 VAL QQG 160 ILE HA 4.77 (#peak 2850;)
&rst
ixpk= 2850, nxpk= 0, iat= -1,2407, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=2395,2396,2397,2399,2400,2401,
&end
#
# 159 VAL QQG 160 ILE HG12 5.20 (#peak 659;)
&rst
ixpk= 659, nxpk= 0, iat= -1,2415, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=2395,2396,2397,2399,2400,2401,
&end
#
# 159 VAL QQG 160 ILE QD1 5.03 (#peak 2871;)
&rst
ixpk= 2871, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
igr1=2395,2396,2397,2399,2400,2401,
igr2=2418,2419,2420,
&end
#
# 159 VAL QQG 163 ALA H 5.57 (#peak 1427;)
&rst
ixpk= 1427, nxpk= 0, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
igr1=2395,2396,2397,2399,2400,2401,
&end
#
# 160 ILE H 161 GLN QG 5.17 (#peak 631;)
&rst
ixpk= 631, nxpk= 0, iat=2405, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2431,2432,
&end
#
# 161 GLN H 161 GLN QB 3.87 (#peak 1450;)
&rst
ixpk= 1450, nxpk= 0, iat=2424, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=2428,2429,
&end
#
# 161 GLN H 161 GLN QG 3.79 (#peak 1448;)
&rst
ixpk= 1448, nxpk= 0, iat=2424, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=2431,2432,
&end
#
# 161 GLN QB 162 ARG H 3.80 (#peak 1451;)
&rst
ixpk= 1451, nxpk= 0, iat= -1,2441, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=2428,2429,
&end
#
# 161 GLN QB 165 ARG H 5.11 (#peak 1490;)
&rst
ixpk= 1490, nxpk= 0, iat= -1,2495, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=2428,2429,
&end
#
# 161 GLN QB 165 ARG QG 4.00 (#peak 2975;)
&rst
ixpk= 2975, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2428,2429,
igr2=2502,2503,
&end
#
# 161 GLN QB 165 ARG HE 4.88 (#peak 1452;)
&rst
ixpk= 1452, nxpk= 0, iat= -1,2508, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=2428,2429,
&end
#
# 162 ARG HA 165 ARG QD 5.12 (#peak 2901;)
&rst
ixpk= 2901, nxpk= 0, iat=2443, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2505,2506,
&end
#
# 162 ARG QB 163 ALA H 4.29 (#peak 4835;)
&rst
ixpk= 4835, nxpk= 0, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=2445,2446,
&end
#
# 164 PHE H 165 ARG QB 5.09 (#peak 4868;)
&rst
ixpk= 4868, nxpk= 0, iat=2475, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2=2499,2500,
&end
#
# 164 PHE HB3 165 ARG QB 4.88 (#peak 2960;)
&rst
ixpk= 2960, nxpk= 0, iat=2480, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2499,2500,
&end
#
# 164 PHE QD 168 LEU QQD 4.46 (#peak 5354;)
&rst
ixpk= 5354, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=2483,2491,
igr2=2569,2570,2571,2573,2574,2575,
&end
#
# 164 PHE QE 168 LEU QQD 3.41 (#peak 5352;)
&rst
ixpk= 5352, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=2485,2489,
igr2=2569,2570,2571,2573,2574,2575,
&end
#
# 164 PHE HZ 168 LEU QQD 3.71 (#peak 581;)
&rst
ixpk= 581, nxpk= 0, iat=2487, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=2569,2570,2571,2573,2574,2575,
&end
#
# 165 ARG H 165 ARG QB 3.51 (#peak 4876;)
&rst
ixpk= 4876, nxpk= 0, iat=2495, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=2499,2500,
&end
#
# 165 ARG H 168 LEU QQD 5.67 (#peak 5355;)
&rst
ixpk= 5355, nxpk= 0, iat=2495, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr2=2569,2570,2571,2573,2574,2575,
&end
#
# 165 ARG HA 168 LEU QQD 3.91 (#peak 2959;)
&rst
ixpk= 2959, nxpk= 0, iat=2497, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=2569,2570,2571,2573,2574,2575,
&end
#
# 165 ARG QB 165 ARG HE 5.12 (#peak 1479;)
&rst
ixpk= 1479, nxpk= 0, iat= -1,2508, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=2499,2500,
&end
#
# 165 ARG QB 166 ARG H 3.77 (#peak 4861;)
&rst
ixpk= 4861, nxpk= 0, iat= -1,2519, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=2499,2500,
&end
#
# 165 ARG QG 168 LEU QQD 5.25 (#peak 678;)
&rst
ixpk= 678, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=2502,2503,
igr2=2569,2570,2571,2573,2574,2575,
&end
#
# 166 ARG H 166 ARG QG 4.71 (#peak 2969;)
&rst
ixpk= 2969, nxpk= 0, iat=2519, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=2526,2527,
&end
#
# 166 ARG HA 166 ARG QG 3.82 (#peak 2971;)
&rst
ixpk= 2971, nxpk= 0, iat=2521, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=2526,2527,
&end
#
# 166 ARG QG 167 HIS H 5.34 (#peak 1487;)
&rst
ixpk= 1487, nxpk= 0, iat= -1,2543, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2526,2527,
&end
#
# 167 HIS H 168 LEU QQD 5.05 (#peak 5358;)
&rst
ixpk= 5358, nxpk= 0, iat=2543, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=2569,2570,2571,2573,2574,2575,
&end
#
# 167 HIS QB 168 LEU H 3.98 (#peak 170;)
&rst
ixpk= 170, nxpk= 0, iat= -1,2560, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=2547,2548,
&end
#
# 167 HIS HD2 168 LEU QQD 3.98 (#peak 2987;)
&rst
ixpk= 2987, nxpk= 0, iat=2556, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2569,2570,2571,2573,2574,2575,
&end
#
# 168 LEU H 168 LEU QQD 3.78 (#peak 2996;)
&rst
ixpk= 2996, nxpk= 0, iat=2560, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=2569,2570,2571,2573,2574,2575,
&end
#
# 168 LEU HA 168 LEU QQD 3.18 (#peak 2999;)
&rst
ixpk= 2999, nxpk= 0, iat=2562, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=2569,2570,2571,2573,2574,2575,
&end
#
# 168 LEU HA 171 ARG QD 4.88 (#peak 3002;)
&rst
ixpk= 3002, nxpk= 0, iat=2562, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2625,2626,
&end
#
# 168 LEU QB 169 LEU H 4.11 (#peak 3025;)
&rst
ixpk= 3025, nxpk= 0, iat= -1,2579, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=2564,2565,
&end
#
# 168 LEU QQD 171 ARG QD 4.57 (#peak 3021;)
&rst
ixpk= 3021, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=2569,2570,2571,2573,2574,2575,
igr2=2625,2626,
&end
#
# 169 LEU QB 170 GLN QE2 4.60 (#peak 4924;)
&rst
ixpk= 4924, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=2583,2584,
igr2=2610,2611,
&end
#
# 169 LEU HG 170 GLN QE2 4.56 (#peak 4975;)
&rst
ixpk= 4975, nxpk= 0, iat=2586, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2610,2611,
&end
#
# 169 LEU QQD 170 GLN QG 4.78 (#peak 714;)
&rst
ixpk= 714, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1=2588,2589,2590,2592,2593,2594,
igr2=2605,2606,
&end
#
# 169 LEU QQD 170 GLN QE2 4.26 (#peak 5279;)
&rst
ixpk= 5279, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=2588,2589,2590,2592,2593,2594,
igr2=2610,2611,
&end
#
# 170 GLN H 170 GLN QG 3.89 (#peak 4572;)
&rst
ixpk= 4572, nxpk= 0, iat=2598, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=2605,2606,
&end
#
# 170 GLN HA 170 GLN QG 3.79 (#peak 3034;)
&rst
ixpk= 3034, nxpk= 0, iat=2600, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=2605,2606,
&end
#
# 170 GLN HA 170 GLN QE2 4.19 (#peak 4121;)
&rst
ixpk= 4121, nxpk= 0, iat=2600, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=2610,2611,
&end
#
# 171 ARG QB 171 ARG QD 3.79 (#peak 3050;)
&rst
ixpk= 3050, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=2619,2620,
igr2=2625,2626,
&end
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