NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
491715 |
2k1j   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 13 CYZ HN 14 LEU HN 4.82 (#peak 17 )
&rst
ixpk= 17, nxpk= 0, iat= 184, 195, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 14 LEU HN 36 PHE HA 3.89 (#peak 21 )
&rst
ixpk= 21, nxpk= 0, iat= 195, 517, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 13 CYZ HB3 14 LEU HN 3.67 (#peak 22 )
&rst
ixpk= 22, nxpk= 0, iat= 189, 195, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 13 CYZ HA 14 LEU HN 2.96 (#peak 24 )
&rst
ixpk= 24, nxpk= 0, iat= 186, 195, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 14 LEU HN 15 CYSS HB2 4.57 (#peak 25 )
&rst
ixpk= 25, nxpk= 0, iat= 195, 218, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 13 CYZ HB2 14 LEU HN 4.23 (#peak 26 )
&rst
ixpk= 26, nxpk= 0, iat= 188, 195, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 14 LEU HN 14 LEU HB2 3.36 (#peak 29 )
&rst
ixpk= 29, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 199, 200,
&end
#
# 24 ILE HN 38 PHE HN 4.94 (#peak 34 )
&rst
ixpk= 34, nxpk= 0, iat= 346, 552, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 23 MET HA 24 ILE HN 2.52 (#peak 42 )
&rst
ixpk= 42, nxpk= 0, iat= 331, 346, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, &end
#
# 24 ILE HN 37 HIE HA 3.76 (#peak 43 )
&rst
ixpk= 43, nxpk= 0, iat= 346, 537, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 23 MET HB3 24 ILE HN 3.21 (#peak 46 )
&rst
ixpk= 46, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 334, 333,
&end
#
# 23 MET HB2 24 ILE HN 3.36 (#peak 47 )
&rst
ixpk= 47, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 333, 334,
&end
#
# 24 ILE HN 24 ILE HB 3.21 (#peak 48 )
&rst
ixpk= 48, nxpk= 0, iat= 346, 350, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 27 ASP HN 51 TRP HN 3.79 (#peak 54 )
&rst
ixpk= 54, nxpk= 0, iat= 383, 752, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 50 LYS HA 51 TRP HN 2.40 (#peak 58 )
&rst
ixpk= 58, nxpk= 0, iat= 732, 752, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 51 TRP HN 51 TRP HB2 3.02 (#peak 60 )
&rst
ixpk= 60, nxpk= 0, iat= 752, 756, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 50 LYS QB 51 TRP HN 4.70 (#peak 61 )
&rst
ixpk= 61, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 734, 735,
&end
#
# 51 TRP HN 52 PHE HN 4.23 (#peak 64 )
&rst
ixpk= 64, nxpk= 0, iat= 752, 776, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 36 PHE HA 37 HIE HN 2.59 (#peak 70 )
&rst
ixpk= 70, nxpk= 0, iat= 517, 535, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09, &end
#
# 37 HIE HN 37 HIE HB3 3.92 (#peak 72 )
&rst
ixpk= 72, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 540, 539,
&end
#
# 37 HIE HN 37 HIE HB2 3.08 (#peak 73 )
&rst
ixpk= 73, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 539, 540,
&end
#
# 37 HIE HN 40 CYSS HB3 3.48 (#peak 74 )
&rst
ixpk= 74, nxpk= 0, iat= 535, 587, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 36 PHE HB3 37 HIE HN 2.96 (#peak 75 )
&rst
ixpk= 75, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1= 520, 519,
&end
#
# 36 PHE HB2 37 HIE HN 3.76 (#peak 76 )
&rst
ixpk= 76, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 519, 520,
&end
#
# 34 GLU HN 34 GLU HA 2.52 (#peak 95 )
&rst
ixpk= 95, nxpk= 0, iat= 476, 478, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, &end
#
# 31 CYSS HB2 34 GLU HN 4.26 (#peak 98 )
&rst
ixpk= 98, nxpk= 0, iat= 439, 476, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 34 GLU HN 34 GLU HB2 4.04 (#peak 103 )
&rst
ixpk= 103, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 480, 481,
&end
#
# 23 MET HA 36 PHE HN 4.38 (#peak 108 )
&rst
ixpk= 108, nxpk= 0, iat= 331, 515, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 24 ILE HN 36 PHE HN 3.17 (#peak 109 )
&rst
ixpk= 109, nxpk= 0, iat= 346, 515, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 35 TRP HA 36 PHE HN 2.52 (#peak 112 )
&rst
ixpk= 112, nxpk= 0, iat= 493, 515, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, &end
#
# 36 PHE HN 36 PHE HB3 3.58 (#peak 114 )
&rst
ixpk= 114, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 520, 519,
&end
#
# 36 PHE HN 36 PHE HB2 3.30 (#peak 115 )
&rst
ixpk= 115, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 519, 520,
&end
#
# 35 TRP HB3 36 PHE HN 3.64 (#peak 116 )
&rst
ixpk= 116, nxpk= 0, iat= 496, 515, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 35 TRP HB2 36 PHE HN 3.95 (#peak 117 )
&rst
ixpk= 117, nxpk= 0, iat= 495, 515, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 37 HIE HA 39 ALA HN 4.07 (#peak 122 )
&rst
ixpk= 122, nxpk= 0, iat= 537, 572, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 39 ALA HN 39 ALA HA 2.77 (#peak 123 )
&rst
ixpk= 123, nxpk= 0, iat= 572, 574, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 38 PHE HA 39 ALA HN 3.48 (#peak 125 )
&rst
ixpk= 125, nxpk= 0, iat= 554, 572, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 37 HIE HB2 39 ALA HN 4.45 (#peak 126 )
&rst
ixpk= 126, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 539, 540,
&end
#
# 38 PHE HB3 39 ALA HN 3.45 (#peak 127 )
&rst
ixpk= 127, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 557, 556,
&end
#
# 38 PHE HB2 39 ALA HN 2.90 (#peak 128 )
&rst
ixpk= 128, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 556, 557,
&end
#
# 26 CYZ HN 27 ASP HN 4.66 (#peak 132 )
&rst
ixpk= 132, nxpk= 0, iat= 372, 383, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 26 CYZ HA 27 ASP HN 2.52 (#peak 139 )
&rst
ixpk= 139, nxpk= 0, iat= 374, 383, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, &end
#
# 26 CYZ HB3 27 ASP HN 3.33 (#peak 140 )
&rst
ixpk= 140, nxpk= 0, iat= 377, 383, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 27 ASP HN 27 ASP HB3 2.93 (#peak 141 )
&rst
ixpk= 141, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 388, 387,
&end
#
# 19 SER HN 20 TYR HN 4.57 (#peak 144 )
&rst
ixpk= 144, nxpk= 0, iat= 275, 286, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 18 VAL HA 19 SER HN 2.55 (#peak 147 )
&rst
ixpk= 147, nxpk= 0, iat= 261, 275, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05, &end
#
# 11 THR HA 19 SER HN 4.66 (#peak 148 )
&rst
ixpk= 148, nxpk= 0, iat= 151, 275, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 19 SER HN 19 SER QB 3.90 (#peak 150 )
&rst
ixpk= 150, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 279, 280,
&end
#
# 18 VAL HB 19 SER HN 2.77 (#peak 151 )
&rst
ixpk= 151, nxpk= 0, iat= 263, 275, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 44 THR HN 45 THR HN 3.08 (#peak 153 )
&rst
ixpk= 153, nxpk= 0, iat= 635, 649, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 43 LEU HB2 44 THR HN 5.34 (#peak 157 )
&rst
ixpk= 157, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 620, 621,
&end
#
# 43 LEU HA 44 THR HN 2.77 (#peak 158 )
&rst
ixpk= 158, nxpk= 0, iat= 618, 635, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 27 ASP HN 28 ASN HN 3.42 (#peak 161 )
&rst
ixpk= 161, nxpk= 0, iat= 383, 395, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 27 ASP HA 28 ASN HN 3.33 (#peak 167 )
&rst
ixpk= 167, nxpk= 0, iat= 385, 395, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 28 ASN HN 28 ASN HB3 3.55 (#peak 168 )
&rst
ixpk= 168, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 400, 399,
&end
#
# 28 ASN HN 31 CYSS HB3 3.86 (#peak 169 )
&rst
ixpk= 169, nxpk= 0, iat= 395, 440, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 27 ASP HB3 28 ASN HN 3.89 (#peak 173 )
&rst
ixpk= 173, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 388, 387,
&end
#
# 27 ASP HB2 28 ASN HN 4.38 (#peak 174 )
&rst
ixpk= 174, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 387, 388,
&end
#
# 56 CYSS HN 57 SER HN 3.33 (#peak 175 )
&rst
ixpk= 175, nxpk= 0, iat= 845, 856, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 55 ARG HN 56 CYSS HN 2.68 (#peak 176 )
&rst
ixpk= 176, nxpk= 0, iat= 821, 845, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 56 CYSS HN 58 GLN HN 3.98 (#peak 177 )
&rst
ixpk= 177, nxpk= 0, iat= 845, 867, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 55 ARG HA 56 CYSS HN 3.33 (#peak 178 )
&rst
ixpk= 178, nxpk= 0, iat= 823, 845, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 56 CYSS HN 56 CYSS HA 2.90 (#peak 179 )
&rst
ixpk= 179, nxpk= 0, iat= 845, 847, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 56 CYSS HN 57 SER HB3 5.13 (#peak 180 )
&rst
ixpk= 180, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 861, 860,
&end
#
# 56 CYSS HN 56 CYSS HB3 3.39 (#peak 181 )
&rst
ixpk= 181, nxpk= 0, iat= 845, 850, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 56 CYSS HN 56 CYSS HB2 3.30 (#peak 182 )
&rst
ixpk= 182, nxpk= 0, iat= 845, 849, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 55 ARG QB 56 CYSS HN 4.33 (#peak 183 )
&rst
ixpk= 183, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 825, 826,
&end
#
# 27 ASP HN 53 CYSS HN 4.97 (#peak 188 )
&rst
ixpk= 188, nxpk= 0, iat= 383, 796, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 52 PHE HN 53 CYSS HN 5.50 (#peak 191 )
&rst
ixpk= 191, nxpk= 0, iat= 776, 796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 PHE HA 53 CYSS HN 2.52 (#peak 194 )
&rst
ixpk= 194, nxpk= 0, iat= 778, 796, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, &end
#
# 26 CYZ HA 53 CYSS HN 3.70 (#peak 195 )
&rst
ixpk= 195, nxpk= 0, iat= 374, 796, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 53 CYSS HN 53 CYSS HB3 2.93 (#peak 200 )
&rst
ixpk= 200, nxpk= 0, iat= 796, 801, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 53 CYSS HN 53 CYSS HB2 3.45 (#peak 201 )
&rst
ixpk= 201, nxpk= 0, iat= 796, 800, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 26 CYZ HN 35 TRP HA 3.58 (#peak 206 )
&rst
ixpk= 206, nxpk= 0, iat= 372, 493, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 20 TYR HB3 21 GLY HN 3.86 (#peak 207 )
&rst
ixpk= 207, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 291, 290,
&end
#
# 25 GLY HA1 26 CYZ HN 2.90 (#peak 208 )
&rst
ixpk= 208, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 367, 368,
&end
#
# 25 GLY HA2 26 CYZ HN 3.45 (#peak 210 )
&rst
ixpk= 210, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 367, 368,
&end
#
# 20 TYR HA 21 GLY HN 3.17 (#peak 212 )
&rst
ixpk= 212, nxpk= 0, iat= 288, 307, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 20 TYR HB2 21 GLY HN 3.98 (#peak 214 )
&rst
ixpk= 214, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 290, 291,
&end
#
# 45 THR HA 46 LYS HN 3.02 (#peak 218 )
&rst
ixpk= 218, nxpk= 0, iat= 651, 663, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 55 ARG HN 57 SER HN 4.48 (#peak 227 )
&rst
ixpk= 227, nxpk= 0, iat= 821, 856, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 57 SER HN 59 GLU HN 4.85 (#peak 228 )
&rst
ixpk= 228, nxpk= 0, iat= 856, 884, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 57 SER HN 58 GLN HN 3.02 (#peak 229 )
&rst
ixpk= 229, nxpk= 0, iat= 856, 867, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 54 PRO HA 57 SER HN 3.48 (#peak 230 )
&rst
ixpk= 230, nxpk= 0, iat= 817, 856, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 57 SER HN 57 SER HB2 2.96 (#peak 232 )
&rst
ixpk= 232, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 860, 861,
&end
#
# 57 SER HN 58 GLN HB2 5.28 (#peak 236 )
&rst
ixpk= 236, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 871, 872,
&end
#
# 48 ARG HN 49 GLY HN 4.04 (#peak 240 )
&rst
ixpk= 240, nxpk= 0, iat= 699, 723, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 48 ARG HN 48 ARG HB3 3.24 (#peak 242 )
&rst
ixpk= 242, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 704, 703,
&end
#
# 48 ARG HN 48 ARG HB2 2.68 (#peak 243 )
&rst
ixpk= 243, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2= 703, 704,
&end
#
# 47 PRO HB2 48 ARG HN 3.73 (#peak 247 )
&rst
ixpk= 247, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 692, 693,
&end
#
# 32 SER HN 34 GLU HN 3.86 (#peak 248 )
&rst
ixpk= 248, nxpk= 0, iat= 446, 476, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 31 CYSS HA 32 SER HN 2.46 (#peak 252 )
&rst
ixpk= 252, nxpk= 0, iat= 437, 446, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96, &end
#
# 31 CYSS HB3 32 SER HN 3.95 (#peak 253 )
&rst
ixpk= 253, nxpk= 0, iat= 440, 446, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 8 ASN HN 8 ASN HB2 2.86 (#peak 254 )
&rst
ixpk= 254, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 110, 111,
&end
#
# 6 ASP HB3 8 ASN HN 3.33 (#peak 258 )
&rst
ixpk= 258, nxpk= 0, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 85, 84,
&end
#
# 6 ASP HA 8 ASN HN 3.79 (#peak 259 )
&rst
ixpk= 259, nxpk= 0, iat= 82, 106, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 5 VAL HN 6 ASP HN 4.11 (#peak 263 )
&rst
ixpk= 263, nxpk= 0, iat= 64, 80, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 5 VAL HA 6 ASP HN 2.65 (#peak 265 )
&rst
ixpk= 265, nxpk= 0, iat= 66, 80, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 6 ASP HN 6 ASP HB3 3.42 (#peak 267 )
&rst
ixpk= 267, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 85, 84,
&end
#
# 5 VAL HB 6 ASP HN 3.86 (#peak 269 )
&rst
ixpk= 269, nxpk= 0, iat= 68, 80, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 37 HIE HN 38 PHE HN 4.51 (#peak 272 )
&rst
ixpk= 272, nxpk= 0, iat= 535, 552, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 38 PHE HN 39 ALA HN 3.24 (#peak 273 )
&rst
ixpk= 273, nxpk= 0, iat= 552, 572, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 38 PHE HN 40 CYSS HN 4.38 (#peak 274 )
&rst
ixpk= 274, nxpk= 0, iat= 552, 582, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 23 MET HA 38 PHE HN 3.21 (#peak 277 )
&rst
ixpk= 277, nxpk= 0, iat= 331, 552, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 37 HIE HA 38 PHE HN 2.55 (#peak 278 )
&rst
ixpk= 278, nxpk= 0, iat= 537, 552, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05, &end
#
# 37 HIE HB3 38 PHE HN 4.11 (#peak 279 )
&rst
ixpk= 279, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 540, 539,
&end
#
# 38 PHE HN 38 PHE HA 2.83 (#peak 280 )
&rst
ixpk= 280, nxpk= 0, iat= 552, 554, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 38 PHE HN 38 PHE HB3 3.45 (#peak 282 )
&rst
ixpk= 282, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 557, 556,
&end
#
# 38 PHE HN 38 PHE HB2 2.80 (#peak 283 )
&rst
ixpk= 283, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 556, 557,
&end
#
# 33 ILE HN 34 GLU HN 2.59 (#peak 291 )
&rst
ixpk= 291, nxpk= 0, iat= 457, 476, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09, &end
#
# 32 SER HA 33 ILE HN 3.36 (#peak 294 )
&rst
ixpk= 294, nxpk= 0, iat= 448, 457, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 33 ILE HN 33 ILE HA 2.86 (#peak 295 )
&rst
ixpk= 295, nxpk= 0, iat= 457, 459, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 33 ILE HN 34 GLU HA 4.01 (#peak 296 )
&rst
ixpk= 296, nxpk= 0, iat= 457, 478, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 31 CYSS HA 33 ILE HN 3.61 (#peak 297 )
&rst
ixpk= 297, nxpk= 0, iat= 437, 457, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 31 CYSS HB2 33 ILE HN 5.16 (#peak 298 )
&rst
ixpk= 298, nxpk= 0, iat= 439, 457, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 33 ILE HN 33 ILE HB 2.74 (#peak 299 )
&rst
ixpk= 299, nxpk= 0, iat= 457, 461, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 32 SER HN 33 ILE HN 3.30 (#peak 304 )
&rst
ixpk= 304, nxpk= 0, iat= 446, 457, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 25 GLY HN 35 TRP HA 4.94 (#peak 305 )
&rst
ixpk= 305, nxpk= 0, iat= 365, 493, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 25 GLY HN 26 CYZ HN 4.35 (#peak 306 )
&rst
ixpk= 306, nxpk= 0, iat= 365, 372, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 24 ILE HA 25 GLY HN 3.52 (#peak 309 )
&rst
ixpk= 309, nxpk= 0, iat= 348, 365, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 23 MET HN 37 HIE HA 5.50 (#peak 319 )
&rst
ixpk= 319, nxpk= 0, iat= 329, 537, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 GLU HA 23 MET HN 2.40 (#peak 321 )
&rst
ixpk= 321, nxpk= 0, iat= 316, 329, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 22 GLU HB3 23 MET HN 4.66 (#peak 325 )
&rst
ixpk= 325, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 319, 318,
&end
#
# 22 GLU HB2 23 MET HN 3.17 (#peak 328 )
&rst
ixpk= 328, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 318, 319,
&end
#
# 12 TYR HN 18 VAL HA 4.23 (#peak 330 )
&rst
ixpk= 330, nxpk= 0, iat= 163, 261, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 11 THR HA 12 TYR HN 2.43 (#peak 333 )
&rst
ixpk= 333, nxpk= 0, iat= 151, 163, r1= 1.30, r2= 1.80, r3= 2.43, r4= 2.93, &end
#
# 12 TYR HN 12 TYR HB2 3.05 (#peak 335 )
&rst
ixpk= 335, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 167, 168,
&end
#
# 12 TYR HN 17 GLN HN 3.67 (#peak 337 )
&rst
ixpk= 337, nxpk= 0, iat= 163, 242, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 11 THR HN 12 TYR HN 4.23 (#peak 338 )
&rst
ixpk= 338, nxpk= 0, iat= 149, 163, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 21 GLY HN 22 GLU HN 3.70 (#peak 340 )
&rst
ixpk= 340, nxpk= 0, iat= 307, 314, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 21 GLY HA2 22 GLU HN 2.77 (#peak 343 )
&rst
ixpk= 343, nxpk= 0, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 309, 310,
&end
#
# 22 GLU HN 22 GLU HB3 2.62 (#peak 348 )
&rst
ixpk= 348, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
igr2= 319, 318,
&end
#
# 22 GLU HN 22 GLU HB2 3.45 (#peak 349 )
&rst
ixpk= 349, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 318, 319,
&end
#
# 4 PRO HA 5 VAL HN 3.39 (#peak 351 )
&rst
ixpk= 351, nxpk= 0, iat= 60, 64, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 55 ARG HN 55 ARG HA 2.80 (#peak 356 )
&rst
ixpk= 356, nxpk= 0, iat= 821, 823, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 55 ARG HN 56 CYSS HB2 4.38 (#peak 360 )
&rst
ixpk= 360, nxpk= 0, iat= 821, 849, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 54 PRO HB3 55 ARG HN 4.63 (#peak 361 )
&rst
ixpk= 361, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 815, 814,
&end
#
# 54 PRO HB2 55 ARG HN 4.45 (#peak 363 )
&rst
ixpk= 363, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 814, 815,
&end
#
# 50 LYS HN 50 LYS HA 2.90 (#peak 366 )
&rst
ixpk= 366, nxpk= 0, iat= 730, 732, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 49 GLY HA2 50 LYS HN 2.77 (#peak 367 )
&rst
ixpk= 367, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 725, 726,
&end
#
# 49 GLY HA1 50 LYS HN 3.08 (#peak 368 )
&rst
ixpk= 368, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 725, 726,
&end
#
# 50 LYS HN 51 TRP HN 4.29 (#peak 373 )
&rst
ixpk= 373, nxpk= 0, iat= 730, 752, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 17 GLN HA 18 VAL HN 3.05 (#peak 374 )
&rst
ixpk= 374, nxpk= 0, iat= 244, 259, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 18 VAL HN 18 VAL HB 3.55 (#peak 376 )
&rst
ixpk= 376, nxpk= 0, iat= 259, 263, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 17 GLN QB 18 VAL HN 4.42 (#peak 378 )
&rst
ixpk= 378, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 246, 247,
&end
#
# 18 VAL HN 19 SER HN 4.76 (#peak 380 )
&rst
ixpk= 380, nxpk= 0, iat= 259, 275, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 49 GLY HN 49 GLY HA1 2.93 (#peak 384 )
&rst
ixpk= 384, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 725, 726,
&end
#
# 48 ARG HB2 49 GLY HN 3.52 (#peak 385 )
&rst
ixpk= 385, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 703, 704,
&end
#
# 17 GLN HN 17 GLN HA 2.80 (#peak 388 )
&rst
ixpk= 388, nxpk= 0, iat= 242, 244, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 16 HIS HA 17 GLN HN 2.93 (#peak 390 )
&rst
ixpk= 390, nxpk= 0, iat= 227, 242, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 48 ARG HA 49 GLY HN 3.27 (#peak 391 )
&rst
ixpk= 391, nxpk= 0, iat= 701, 723, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 49 GLY HN 49 GLY HA2 2.80 (#peak 392 )
&rst
ixpk= 392, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 725, 726,
&end
#
# 15 CYSS HB3 17 GLN HN 4.26 (#peak 394 )
&rst
ixpk= 394, nxpk= 0, iat= 219, 242, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 48 ARG HB3 49 GLY HN 3.58 (#peak 398 )
&rst
ixpk= 398, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 704, 703,
&end
#
# 16 HIS HB3 17 GLN HN 4.51 (#peak 401 )
&rst
ixpk= 401, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 230, 229,
&end
#
# 61 LYS HN 62 LYS HN 4.20 (#peak 402 )
&rst
ixpk= 402, nxpk= 0, iat= 923, 945, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 34 GLU HN 35 TRP HN 3.48 (#peak 407 )
&rst
ixpk= 407, nxpk= 0, iat= 476, 491, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 35 TRP HN 35 TRP HB2 4.01 (#peak 415 )
&rst
ixpk= 415, nxpk= 0, iat= 491, 495, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 62 LYS HA 63 LYS HN 2.71 (#peak 438 )
&rst
ixpk= 438, nxpk= 0, iat= 947, 967, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 42 GLY HN 43 LEU HN 2.96 (#peak 442 )
&rst
ixpk= 442, nxpk= 0, iat= 609, 616, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 39 ALA HA 43 LEU HN 3.14 (#peak 445 )
&rst
ixpk= 445, nxpk= 0, iat= 574, 616, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 42 GLY HA2 43 LEU HN 3.52 (#peak 446 )
&rst
ixpk= 446, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 611, 612,
&end
#
# 38 PHE HA 43 LEU HN 3.36 (#peak 447 )
&rst
ixpk= 447, nxpk= 0, iat= 554, 616, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 42 GLY HA1 43 LEU HN 3.17 (#peak 448 )
&rst
ixpk= 448, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 611, 612,
&end
#
# 43 LEU HN 43 LEU HB3 3.39 (#peak 453 )
&rst
ixpk= 453, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 621, 620,
&end
#
# 43 LEU HN 43 LEU HB2 3.05 (#peak 455 )
&rst
ixpk= 455, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 620, 621,
&end
#
# 43 LEU HN 43 LEU HA 2.77 (#peak 459 )
&rst
ixpk= 459, nxpk= 0, iat= 616, 618, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 8 ASN HN 9 GLU HN 4.01 (#peak 460 )
&rst
ixpk= 460, nxpk= 0, iat= 106, 120, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 8 ASN HA 9 GLU HN 2.77 (#peak 461 )
&rst
ixpk= 461, nxpk= 0, iat= 108, 120, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 9 GLU HN 9 GLU HB3 3.02 (#peak 467 )
&rst
ixpk= 467, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 125, 124,
&end
#
# 58 GLN HN 59 GLU HN 2.93 (#peak 482 )
&rst
ixpk= 482, nxpk= 0, iat= 867, 884, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 59 GLU HN 59 GLU HB3 3.11 (#peak 485 )
&rst
ixpk= 485, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 889, 888,
&end
#
# 59 GLU HN 59 GLU HB2 2.74 (#peak 486 )
&rst
ixpk= 486, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2= 888, 889,
&end
#
# 60 ARG HN 60 ARG HB3 3.21 (#peak 487 )
&rst
ixpk= 487, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 904, 903,
&end
#
# 60 ARG HN 60 ARG HB2 2.90 (#peak 488 )
&rst
ixpk= 488, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 903, 904,
&end
#
# 59 GLU HB3 60 ARG HN 3.55 (#peak 493 )
&rst
ixpk= 493, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 889, 888,
&end
#
# 59 GLU HB2 60 ARG HN 3.58 (#peak 494 )
&rst
ixpk= 494, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 888, 889,
&end
#
# 31 CYSS HN 32 SER HN 4.54 (#peak 496 )
&rst
ixpk= 496, nxpk= 0, iat= 435, 446, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 30 ASP HA 31 CYSS HN 3.39 (#peak 497 )
&rst
ixpk= 497, nxpk= 0, iat= 425, 435, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 31 CYSS HN 31 CYSS HB3 2.68 (#peak 500 )
&rst
ixpk= 500, nxpk= 0, iat= 435, 440, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 31 CYSS HN 31 CYSS HB2 3.30 (#peak 501 )
&rst
ixpk= 501, nxpk= 0, iat= 435, 439, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 28 ASN HN 31 CYSS HN 4.57 (#peak 502 )
&rst
ixpk= 502, nxpk= 0, iat= 395, 435, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 31 CYSS HN 31 CYSS HA 2.68 (#peak 504 )
&rst
ixpk= 504, nxpk= 0, iat= 435, 437, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 13 CYZ HB3 16 HIS HN 4.32 (#peak 521 )
&rst
ixpk= 521, nxpk= 0, iat= 189, 225, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 16 HIS HN 16 HIS HA 2.40 (#peak 522 )
&rst
ixpk= 522, nxpk= 0, iat= 225, 227, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 16 HIS HN 17 GLN HN 2.93 (#peak 531 )
&rst
ixpk= 531, nxpk= 0, iat= 225, 242, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 15 CYSS HA 16 HIS HN 3.45 (#peak 532 )
&rst
ixpk= 532, nxpk= 0, iat= 216, 225, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 14 LEU HN 15 CYSS HN 2.62 (#peak 536 )
&rst
ixpk= 536, nxpk= 0, iat= 195, 214, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 13 CYZ HB3 15 CYSS HN 3.39 (#peak 537 )
&rst
ixpk= 537, nxpk= 0, iat= 189, 214, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 15 CYSS HN 16 HIS HA 4.51 (#peak 539 )
&rst
ixpk= 539, nxpk= 0, iat= 214, 227, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 13 CYZ HA 15 CYSS HN 3.67 (#peak 540 )
&rst
ixpk= 540, nxpk= 0, iat= 186, 214, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 15 CYSS HN 15 CYSS HB2 2.99 (#peak 542 )
&rst
ixpk= 542, nxpk= 0, iat= 214, 218, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 13 CYZ HB2 15 CYSS HN 3.83 (#peak 543 )
&rst
ixpk= 543, nxpk= 0, iat= 188, 214, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 14 LEU HB2 15 CYSS HN 4.35 (#peak 546 )
&rst
ixpk= 546, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 199, 200,
&end
#
# 15 CYSS HN 17 GLN HN 4.72 (#peak 548 )
&rst
ixpk= 548, nxpk= 0, iat= 214, 242, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 14 LEU HA 15 CYSS HN 3.27 (#peak 549 )
&rst
ixpk= 549, nxpk= 0, iat= 197, 214, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 41 VAL HB 42 GLY HN 4.01 (#peak 551 )
&rst
ixpk= 551, nxpk= 0, iat= 597, 609, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 41 VAL HN 42 GLY HN 2.65 (#peak 552 )
&rst
ixpk= 552, nxpk= 0, iat= 593, 609, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 41 VAL HA 42 GLY HN 3.21 (#peak 553 )
&rst
ixpk= 553, nxpk= 0, iat= 595, 609, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 39 ALA HA 42 GLY HN 3.64 (#peak 554 )
&rst
ixpk= 554, nxpk= 0, iat= 574, 609, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 42 GLY HN 42 GLY HA2 2.71 (#peak 555 )
&rst
ixpk= 555, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr2= 611, 612,
&end
#
# 42 GLY HN 42 GLY HA1 2.59 (#peak 556 )
&rst
ixpk= 556, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
igr2= 611, 612,
&end
#
# 11 THR HN 11 THR HB 3.86 (#peak 564 )
&rst
ixpk= 564, nxpk= 0, iat= 149, 153, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 10 PRO HB3 11 THR HN 3.45 (#peak 570 )
&rst
ixpk= 570, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 143, 142,
&end
#
# 10 PRO HA 11 THR HN 2.40 (#peak 572 )
&rst
ixpk= 572, nxpk= 0, iat= 145, 149, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 10 PRO HB2 11 THR HN 3.27 (#peak 576 )
&rst
ixpk= 576, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 142, 143,
&end
#
# 44 THR HB 45 THR HN 4.26 (#peak 583 )
&rst
ixpk= 583, nxpk= 0, iat= 639, 649, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 56 CYSS HA 58 GLN HN 5.38 (#peak 585 )
&rst
ixpk= 585, nxpk= 0, iat= 847, 867, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 57 SER HA 58 GLN HN 3.55 (#peak 586 )
&rst
ixpk= 586, nxpk= 0, iat= 858, 867, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 58 GLN HN 58 GLN HB2 3.64 (#peak 588 )
&rst
ixpk= 588, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 871, 872,
&end
#
# 43 LEU HB3 45 THR HN 3.92 (#peak 592 )
&rst
ixpk= 592, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 621, 620,
&end
#
# 39 ALA HN 40 CYSS HN 2.86 (#peak 633 )
&rst
ixpk= 633, nxpk= 0, iat= 572, 582, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 40 CYSS HB2 41 VAL HN 4.04 (#peak 637 )
&rst
ixpk= 637, nxpk= 0, iat= 586, 593, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 41 VAL HN 43 LEU HN 4.32 (#peak 639 )
&rst
ixpk= 639, nxpk= 0, iat= 593, 616, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 37 HIE HA 40 CYSS HN 4.11 (#peak 641 )
&rst
ixpk= 641, nxpk= 0, iat= 537, 582, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 41 VAL HN 41 VAL HA 2.86 (#peak 642 )
&rst
ixpk= 642, nxpk= 0, iat= 593, 595, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 41 VAL HN 41 VAL HB 3.36 (#peak 644 )
&rst
ixpk= 644, nxpk= 0, iat= 593, 597, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 19 SER QB 20 TYR HN 4.58 (#peak 648 )
&rst
ixpk= 648, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 279, 280,
&end
#
# 20 TYR HN 21 GLY HN 4.38 (#peak 651 )
&rst
ixpk= 651, nxpk= 0, iat= 286, 307, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 20 TYR HN 20 TYR HB3 3.70 (#peak 655 )
&rst
ixpk= 655, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 291, 290,
&end
#
# 20 TYR HN 20 TYR HB2 3.83 (#peak 656 )
&rst
ixpk= 656, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 290, 291,
&end
#
# 30 ASP HN 30 ASP HB3 4.17 (#peak 689 )
&rst
ixpk= 689, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 428, 427,
&end
#
# 30 ASP HN 31 CYSS HN 3.76 (#peak 694 )
&rst
ixpk= 694, nxpk= 0, iat= 423, 435, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 13 CYZ HN 16 HIS HN 4.51 (#peak 723 )
&rst
ixpk= 723, nxpk= 0, iat= 184, 225, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 12 TYR HA 13 CYZ HN 3.58 (#peak 724 )
&rst
ixpk= 724, nxpk= 0, iat= 165, 184, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 13 CYZ HN 13 CYZ HB3 3.48 (#peak 726 )
&rst
ixpk= 726, nxpk= 0, iat= 184, 189, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 13 CYZ HN 13 CYZ HA 2.62 (#peak 727 )
&rst
ixpk= 727, nxpk= 0, iat= 184, 186, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 12 TYR HB3 13 CYZ HN 2.96 (#peak 728 )
&rst
ixpk= 728, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1= 168, 167,
&end
#
# 12 TYR HB2 13 CYZ HN 3.02 (#peak 731 )
&rst
ixpk= 731, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr1= 167, 168,
&end
#
# 12 TYR HN 13 CYZ HN 3.79 (#peak 734 )
&rst
ixpk= 734, nxpk= 0, iat= 163, 184, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 51 TRP HB3 52 PHE HN 4.63 (#peak 787 )
&rst
ixpk= 787, nxpk= 0, iat= 757, 776, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 51 TRP HA 52 PHE HN 2.55 (#peak 797 )
&rst
ixpk= 797, nxpk= 0, iat= 754, 776, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05, &end
#
# 23 MET HA 37 HIE HA 3.98 (#peak 992 )
&rst
ixpk= 992, nxpk= 0, iat= 331, 537, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 11 THR HA 18 VAL HA 3.52 (#peak 1041 )
&rst
ixpk= 1041, nxpk= 0, iat= 151, 261, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 45 THR HB 46 LYS HN 4.26 (#peak 1057 )
&rst
ixpk= 1057, nxpk= 0, iat= 653, 663, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 45 THR HA 45 THR HB 3.05 (#peak 1058 )
&rst
ixpk= 1058, nxpk= 0, iat= 651, 653, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 19 SER HA 20 TYR HN 2.90 (#peak 1064 )
&rst
ixpk= 1064, nxpk= 0, iat= 277, 286, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 38 PHE HA 40 CYSS HN 3.98 (#peak 1094 )
&rst
ixpk= 1094, nxpk= 0, iat= 554, 582, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 37 HIE HA 38 PHE HA 4.66 (#peak 1096 )
&rst
ixpk= 1096, nxpk= 0, iat= 537, 554, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 41 VAL HN 42 GLY HA1 4.23 (#peak 1109 )
&rst
ixpk= 1109, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 611, 612,
&end
#
# 56 CYSS HA 56 CYSS HB3 2.99 (#peak 1113 )
&rst
ixpk= 1113, nxpk= 0, iat= 847, 850, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 21 GLY HA2 22 GLU HB3 4.32 (#peak 1114 )
&rst
ixpk= 1114, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 309, 310,
igr2= 319, 318,
&end
#
# 31 CYSS HB2 34 GLU HA 4.45 (#peak 1127 )
&rst
ixpk= 1127, nxpk= 0, iat= 439, 478, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 20 TYR HA 21 GLY HA1 4.85 (#peak 1144 )
&rst
ixpk= 1144, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 309, 310,
&end
#
# 21 GLY HA1 22 GLU HN 3.36 (#peak 1146 )
&rst
ixpk= 1146, nxpk= 0, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 309, 310,
&end
#
# 13 CYZ HA 37 HIE HN 4.51 (#peak 1153 )
&rst
ixpk= 1153, nxpk= 0, iat= 186, 535, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 13 CYZ HA 36 PHE HA 2.96 (#peak 1154 )
&rst
ixpk= 1154, nxpk= 0, iat= 186, 517, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 11 THR HA 11 THR HB 2.96 (#peak 1176 )
&rst
ixpk= 1176, nxpk= 0, iat= 151, 153, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 37 HIE HB2 38 PHE HN 4.57 (#peak 1183 )
&rst
ixpk= 1183, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 539, 540,
&end
#
# 57 SER HB2 58 GLN HN 3.64 (#peak 1195 )
&rst
ixpk= 1195, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 860, 861,
&end
#
# 52 PHE HA 53 CYSS HA 4.23 (#peak 1200 )
&rst
ixpk= 1200, nxpk= 0, iat= 778, 798, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 16 HIS HA 16 HIS HB3 2.77 (#peak 1201 )
&rst
ixpk= 1201, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2= 230, 229,
&end
#
# 53 CYSS HA 54 PRO HA 4.23 (#peak 1202 )
&rst
ixpk= 1202, nxpk= 0, iat= 798, 817, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 53 CYSS HA 55 ARG HN 4.76 (#peak 1209 )
&rst
ixpk= 1209, nxpk= 0, iat= 798, 821, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 52 PHE HB3 53 CYSS HA 5.28 (#peak 1215 )
&rst
ixpk= 1215, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 781, 780,
&end
#
# 53 CYSS HA 53 CYSS HB3 2.90 (#peak 1216 )
&rst
ixpk= 1216, nxpk= 0, iat= 798, 801, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 31 CYSS HB3 34 GLU HA 4.07 (#peak 1246 )
&rst
ixpk= 1246, nxpk= 0, iat= 440, 478, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 31 CYSS HB3 34 GLU HN 4.26 (#peak 1249 )
&rst
ixpk= 1249, nxpk= 0, iat= 440, 476, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 40 CYSS HN 40 CYSS HB3 2.96 (#peak 1257 )
&rst
ixpk= 1257, nxpk= 0, iat= 582, 587, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 40 CYSS HA 40 CYSS HB3 2.86 (#peak 1258 )
&rst
ixpk= 1258, nxpk= 0, iat= 584, 587, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 15 CYSS HN 15 CYSS HB3 3.36 (#peak 1289 )
&rst
ixpk= 1289, nxpk= 0, iat= 214, 219, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 16 HIS HN 16 HIS HB2 3.45 (#peak 1294 )
&rst
ixpk= 1294, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 229, 230,
&end
#
# 16 HIS HA 16 HIS HB2 2.93 (#peak 1296 )
&rst
ixpk= 1296, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 229, 230,
&end
#
# 37 HIE HN 40 CYSS HB2 4.14 (#peak 1299 )
&rst
ixpk= 1299, nxpk= 0, iat= 535, 586, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 40 CYSS HN 40 CYSS HB2 2.90 (#peak 1301 )
&rst
ixpk= 1301, nxpk= 0, iat= 582, 586, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 51 TRP HN 51 TRP HB3 2.86 (#peak 1330 )
&rst
ixpk= 1330, nxpk= 0, iat= 752, 757, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 26 CYZ HN 26 CYZ HB3 3.98 (#peak 1339 )
&rst
ixpk= 1339, nxpk= 0, iat= 372, 377, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 26 CYZ HN 26 CYZ HB2 3.67 (#peak 1357 )
&rst
ixpk= 1357, nxpk= 0, iat= 372, 376, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 26 CYZ HB2 27 ASP HN 4.82 (#peak 1362 )
&rst
ixpk= 1362, nxpk= 0, iat= 376, 383, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 12 TYR HA 12 TYR HB3 2.93 (#peak 1366 )
&rst
ixpk= 1366, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 168, 167,
&end
#
# 12 TYR HB3 13 CYZ HA 3.92 (#peak 1367 )
&rst
ixpk= 1367, nxpk= 0, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 168, 167,
&end
#
# 12 TYR HN 12 TYR HB3 3.27 (#peak 1376 )
&rst
ixpk= 1376, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 168, 167,
&end
#
# 38 PHE HA 38 PHE HB2 2.93 (#peak 1378 )
&rst
ixpk= 1378, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 556, 557,
&end
#
# 38 PHE HB2 39 ALA HA 4.57 (#peak 1385 )
&rst
ixpk= 1385, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 556, 557,
&end
#
# 35 TRP HA 36 PHE HB2 5.07 (#peak 1425 )
&rst
ixpk= 1425, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 519, 520,
&end
#
# 56 CYSS HB2 57 SER HN 3.73 (#peak 1434 )
&rst
ixpk= 1434, nxpk= 0, iat= 849, 856, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 52 PHE HA 56 CYSS HB2 4.32 (#peak 1435 )
&rst
ixpk= 1435, nxpk= 0, iat= 778, 849, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 41 VAL HA 41 VAL HB 2.93 (#peak 1446 )
&rst
ixpk= 1446, nxpk= 0, iat= 595, 597, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 28 ASN HN 28 ASN HB2 2.83 (#peak 1448 )
&rst
ixpk= 1448, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 399, 400,
&end
#
# 28 ASN HA 28 ASN HB2 2.86 (#peak 1450 )
&rst
ixpk= 1450, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 399, 400,
&end
#
# 35 TRP HA 35 TRP HB3 2.99 (#peak 1471 )
&rst
ixpk= 1471, nxpk= 0, iat= 493, 496, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 35 TRP HN 35 TRP HB3 3.42 (#peak 1472 )
&rst
ixpk= 1472, nxpk= 0, iat= 491, 496, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 6 ASP HN 6 ASP HB2 2.93 (#peak 1496 )
&rst
ixpk= 1496, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 84, 85,
&end
#
# 27 ASP HA 27 ASP HB3 3.05 (#peak 1520 )
&rst
ixpk= 1520, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 388, 387,
&end
#
# 52 PHE HB3 53 CYSS HN 3.30 (#peak 1529 )
&rst
ixpk= 1529, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 781, 780,
&end
#
# 30 ASP HB2 31 CYSS HN 4.17 (#peak 1538 )
&rst
ixpk= 1538, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 427, 428,
&end
#
# 30 ASP HN 30 ASP HB2 3.21 (#peak 1539 )
&rst
ixpk= 1539, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 427, 428,
&end
#
# 52 PHE HN 52 PHE HB3 3.21 (#peak 1541 )
&rst
ixpk= 1541, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 781, 780,
&end
#
# 13 CYZ HN 13 CYZ HB2 3.36 (#peak 1551 )
&rst
ixpk= 1551, nxpk= 0, iat= 184, 188, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 13 CYZ HA 13 CYZ HB2 3.02 (#peak 1553 )
&rst
ixpk= 1553, nxpk= 0, iat= 186, 188, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 47 PRO HB3 48 ARG HN 3.27 (#peak 1578 )
&rst
ixpk= 1578, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 693, 692,
&end
#
# 52 PHE HN 52 PHE HB2 2.52 (#peak 1598 )
&rst
ixpk= 1598, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,
igr2= 780, 781,
&end
#
# 58 GLN HA 58 GLN HB3 2.90 (#peak 1630 )
&rst
ixpk= 1630, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 872, 871,
&end
#
# 58 GLN HB3 59 GLU HN 3.45 (#peak 1631 )
&rst
ixpk= 1631, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 872, 871,
&end
#
# 58 GLN HN 58 GLN HB3 3.21 (#peak 1632 )
&rst
ixpk= 1632, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 872, 871,
&end
#
# 55 ARG QB 56 CYSS HA 4.49 (#peak 1659 )
&rst
ixpk= 1659, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 825, 826,
&end
#
# 59 GLU HA 59 GLU HB3 2.86 (#peak 1665 )
&rst
ixpk= 1665, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 889, 888,
&end
#
# 14 LEU HN 14 LEU HB3 2.93 (#peak 1667 )
&rst
ixpk= 1667, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 200, 199,
&end
#
# 14 LEU HB3 15 CYSS HN 4.14 (#peak 1668 )
&rst
ixpk= 1668, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 200, 199,
&end
#
# 52 PHE HA 53 CYSS HB2 5.50 (#peak 1694 )
&rst
ixpk= 1694, nxpk= 0, iat= 778, 800, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 GLU HN 34 GLU HB3 3.89 (#peak 1721 )
&rst
ixpk= 1721, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 481, 480,
&end
#
# 62 LYS HN 62 LYS HB3 3.42 (#peak 1723 )
&rst
ixpk= 1723, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 950, 949,
&end
#
# 61 LYS HN 61 LYS HB3 3.61 (#peak 1727 )
&rst
ixpk= 1727, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 928, 927,
&end
#
# 33 ILE HB 34 GLU HN 3.17 (#peak 1744 )
&rst
ixpk= 1744, nxpk= 0, iat= 461, 476, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 33 ILE HB 34 GLU HA 4.91 (#peak 1752 )
&rst
ixpk= 1752, nxpk= 0, iat= 461, 478, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 62 LYS HN 62 LYS HB2 3.24 (#peak 1758 )
&rst
ixpk= 1758, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 949, 950,
&end
#
# 61 LYS HN 61 LYS HB2 3.17 (#peak 1761 )
&rst
ixpk= 1761, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 927, 928,
&end
#
# 23 MET HN 23 MET HB3 4.17 (#peak 1765 )
&rst
ixpk= 1765, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 334, 333,
&end
#
# 27 ASP HN 27 ASP HB2 2.65 (#peak 1786 )
&rst
ixpk= 1786, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 387, 388,
&end
#
# 26 CYZ HA 27 ASP HB2 4.17 (#peak 1788 )
&rst
ixpk= 1788, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 387, 388,
&end
#
# 63 LYS HN 63 LYS HB2 3.36 (#peak 1796 )
&rst
ixpk= 1796, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 971, 972,
&end
#
# 23 MET HN 23 MET HB2 2.96 (#peak 1818 )
&rst
ixpk= 1818, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 333, 334,
&end
#
# 23 MET HA 23 MET HB2 2.99 (#peak 1823 )
&rst
ixpk= 1823, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 333, 334,
&end
#
# 60 ARG HA 60 ARG HB2 2.83 (#peak 1837 )
&rst
ixpk= 1837, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 903, 904,
&end
#
# 24 ILE HB 25 GLY HN 3.83 (#peak 1872 )
&rst
ixpk= 1872, nxpk= 0, iat= 350, 365, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 43 LEU HA 43 LEU HB2 2.77 (#peak 2049 )
&rst
ixpk= 2049, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2= 620, 621,
&end
#
# 22 GLU HA 22 GLU HB2 2.65 (#peak 2057 )
&rst
ixpk= 2057, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 318, 319,
&end
#
# 15 CYSS HB3 16 HIS HN 5.50 (#peak 2159 )
&rst
ixpk= 2159, nxpk= 0, iat= 219, 225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 CYSS HN 40 CYSS HA 2.90 (#peak 2162 )
&rst
ixpk= 2162, nxpk= 0, iat= 582, 584, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 56 CYSS HB3 57 SER HN 3.79 (#peak 2170 )
&rst
ixpk= 2170, nxpk= 0, iat= 850, 856, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 43 LEU HB2 45 THR HN 5.25 (#peak 2172 )
&rst
ixpk= 2172, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 620, 621,
&end
#
# 11 THR HB 12 TYR HN 2.65 (#peak 2175 )
&rst
ixpk= 2175, nxpk= 0, iat= 153, 163, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 5 VAL HN 5 VAL HB 3.55 (#peak 2211 )
&rst
ixpk= 2211, nxpk= 0, iat= 64, 68, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 12 TYR HN 16 HIS HN 4.66 (#peak 2212 )
&rst
ixpk= 2212, nxpk= 0, iat= 163, 225, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 8 ASN HN 8 ASN HB3 4.01 (#peak 2217 )
&rst
ixpk= 2217, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 111, 110,
&end
#
# 32 SER HN 32 SER HB2 4.07 (#peak 2221 )
&rst
ixpk= 2221, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 450, 451,
&end
#
# 9 GLU HN 10 PRO HA 4.63 (#peak 2225 )
&rst
ixpk= 2225, nxpk= 0, iat= 120, 145, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 56 CYSS HA 59 GLU HN 5.22 (#peak 2226 )
&rst
ixpk= 2226, nxpk= 0, iat= 847, 884, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 57 SER HB2 59 GLU HN 4.94 (#peak 2228 )
&rst
ixpk= 2228, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 860, 861,
&end
#
# 9 GLU HN 9 GLU HB2 2.99 (#peak 2229 )
&rst
ixpk= 2229, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 124, 125,
&end
#
# 39 ALA HN 42 GLY HN 4.48 (#peak 2235 )
&rst
ixpk= 2235, nxpk= 0, iat= 572, 609, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 58 GLN HN 59 GLU HB2 5.50 (#peak 2241 )
&rst
ixpk= 2241, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 888, 889,
&end
#
# 25 GLY HN 36 PHE HN 4.88 (#peak 2247 )
&rst
ixpk= 2247, nxpk= 0, iat= 365, 515, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 2 ASP HN 3 MET HN 5.50 (#peak 2248 )
&rst
ixpk= 2248, nxpk= 0, iat= 21, 33, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 CYSS HN 33 ILE HN 5.50 (#peak 2249 )
&rst
ixpk= 2249, nxpk= 0, iat= 435, 457, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 CYZ HB2 16 HIS HN 5.50 (#peak 2310 )
&rst
ixpk= 2310, nxpk= 0, iat= 188, 225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 ALA HN 43 LEU HN 4.51 (#peak 2320 )
&rst
ixpk= 2320, nxpk= 0, iat= 572, 616, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 28 ASN HA 31 CYSS HN 5.50 (#peak 2323 )
&rst
ixpk= 2323, nxpk= 0, iat= 397, 435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL HB 43 LEU HN 4.72 (#peak 2325 )
&rst
ixpk= 2325, nxpk= 0, iat= 597, 616, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 13 CYZ HA 35 TRP HN 4.51 (#peak 2332 )
&rst
ixpk= 2332, nxpk= 0, iat= 186, 491, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 24 ILE HN 35 TRP HA 4.76 (#peak 2355 )
&rst
ixpk= 2355, nxpk= 0, iat= 346, 493, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 23 MET HA 37 HIE HN 5.16 (#peak 2356 )
&rst
ixpk= 2356, nxpk= 0, iat= 331, 535, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 24 ILE HN 38 PHE HA 5.50 (#peak 2358 )
&rst
ixpk= 2358, nxpk= 0, iat= 346, 554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 LEU HB3 44 THR HN 4.29 (#peak 2363 )
&rst
ixpk= 2363, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 621, 620,
&end
#
# 27 ASP HN 28 ASN HA 5.13 (#peak 2369 )
&rst
ixpk= 2369, nxpk= 0, iat= 383, 397, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 32 SER HA 34 GLU HN 4.60 (#peak 2371 )
&rst
ixpk= 2371, nxpk= 0, iat= 448, 476, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 56 CYSS HN 59 GLU HN 5.50 (#peak 2389 )
&rst
ixpk= 2389, nxpk= 0, iat= 845, 884, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 CYSS HN 56 CYSS HB2 4.72 (#peak 2396 )
&rst
ixpk= 2396, nxpk= 0, iat= 796, 849, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 53 CYSS HN 56 CYSS HB3 5.44 (#peak 2397 )
&rst
ixpk= 2397, nxpk= 0, iat= 796, 850, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 38 PHE HB2 40 CYSS HN 4.60 (#peak 2400 )
&rst
ixpk= 2400, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 556, 557,
&end
#
# 27 ASP HA 51 TRP HN 4.42 (#peak 2419 )
&rst
ixpk= 2419, nxpk= 0, iat= 385, 752, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 31 CYSS HB3 33 ILE HN 4.32 (#peak 2429 )
&rst
ixpk= 2429, nxpk= 0, iat= 440, 457, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 27 ASP HN 50 LYS HA 4.94 (#peak 2443 )
&rst
ixpk= 2443, nxpk= 0, iat= 383, 732, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 29 PRO QB 30 ASP HN 4.18 (#peak 2451 )
&rst
ixpk= 2451, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 416, 417,
&end
#
# 37 HIE HB3 39 ALA HN 4.48 (#peak 2455 )
&rst
ixpk= 2455, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 540, 539,
&end
#
# 31 CYSS HA 34 GLU HN 4.66 (#peak 2459 )
&rst
ixpk= 2459, nxpk= 0, iat= 437, 476, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 36 PHE HN 37 HIE HN 5.07 (#peak 2460 )
&rst
ixpk= 2460, nxpk= 0, iat= 515, 535, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 30 ASP HN 31 CYSS HA 5.50 (#peak 2461 )
&rst
ixpk= 2461, nxpk= 0, iat= 423, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 SER HB2 33 ILE HN 4.66 (#peak 2479 )
&rst
ixpk= 2479, nxpk= 0, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 450, 451,
&end
#
# 32 SER HB3 33 ILE HN 4.54 (#peak 2480 )
&rst
ixpk= 2480, nxpk= 0, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 451, 450,
&end
#
# 32 SER HN 32 SER HB3 4.04 (#peak 2484 )
&rst
ixpk= 2484, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 451, 450,
&end
#
# 34 GLU HB3 35 TRP HN 5.50 (#peak 2488 )
&rst
ixpk= 2488, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 481, 480,
&end
#
# 35 TRP HN 36 PHE HN 5.04 (#peak 2508 )
&rst
ixpk= 2508, nxpk= 0, iat= 491, 515, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 26 CYZ HN 34 GLU HN 5.25 (#peak 2509 )
&rst
ixpk= 2509, nxpk= 0, iat= 372, 476, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 14 LEU HN 37 HIE HN 4.69 (#peak 2514 )
&rst
ixpk= 2514, nxpk= 0, iat= 195, 535, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 37 HIE HN 40 CYSS HN 4.57 (#peak 2515 )
&rst
ixpk= 2515, nxpk= 0, iat= 535, 582, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 42 GLY HN 43 LEU HA 5.50 (#peak 2525 )
&rst
ixpk= 2525, nxpk= 0, iat= 609, 618, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 THR HN 45 THR HB 3.89 (#peak 2530 )
&rst
ixpk= 2530, nxpk= 0, iat= 649, 653, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 53 CYSS HA 56 CYSS HN 5.50 (#peak 2550 )
&rst
ixpk= 2550, nxpk= 0, iat= 798, 845, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 CYSS HN 57 SER HB2 5.50 (#peak 2551 )
&rst
ixpk= 2551, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 860, 861,
&end
#
# 52 PHE HB3 56 CYSS HN 5.13 (#peak 2554 )
&rst
ixpk= 2554, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 781, 780,
&end
#
# 53 CYSS HB3 56 CYSS HN 5.50 (#peak 2555 )
&rst
ixpk= 2555, nxpk= 0, iat= 801, 845, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 CYSS HB2 56 CYSS HN 5.50 (#peak 2556 )
&rst
ixpk= 2556, nxpk= 0, iat= 800, 845, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 SER HN 57 SER HB3 3.05 (#peak 2557 )
&rst
ixpk= 2557, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 861, 860,
&end
#
# 56 CYSS HB3 58 GLN HN 5.50 (#peak 2559 )
&rst
ixpk= 2559, nxpk= 0, iat= 850, 867, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 THR HA 13 CYZ HN 5.50 (#peak 2666 )
&rst
ixpk= 2666, nxpk= 0, iat= 151, 184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 SER HB3 58 GLN HN 4.69 (#peak 2673 )
&rst
ixpk= 2673, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 861, 860,
&end
#
# 34 GLU HG3 35 TRP HE1 4.79 (#peak 4 )
&rst
ixpk= 4, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 484, 483,
&end
#
# 34 GLU HG2 35 TRP HE1 4.57 (#peak 5 )
&rst
ixpk= 5, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 483, 484,
&end
#
# 41 VAL HB 51 TRP HE1 4.63 (#peak 8 )
&rst
ixpk= 8, nxpk= 0, iat= 597, 762, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 43 LEU HG 51 TRP HE1 5.50 (#peak 16 )
&rst
ixpk= 16, nxpk= 0, iat= 623, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 LEU HN 36 PHE QD 6.29 (#peak 18 )
&rst
ixpk= 18, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2= 523, 531,
&end
#
# 14 LEU HN 14 LEU HG 2.86 (#peak 27 )
&rst
ixpk= 27, nxpk= 0, iat= 195, 202, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 23 MET HG2 24 ILE HN 5.50 (#peak 36 )
&rst
ixpk= 36, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 336, 337,
&end
#
# 24 ILE HN 36 PHE QD 7.62 (#peak 39 )
&rst
ixpk= 39, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 523, 531,
&end
#
# 24 ILE HN 38 PHE QE 7.03 (#peak 40 )
&rst
ixpk= 40, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr2= 562, 566,
&end
#
# 24 ILE HN 38 PHE QD 7.34 (#peak 41 )
&rst
ixpk= 41, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
igr2= 560, 568,
&end
#
# 24 ILE HN 36 PHE HB2 5.13 (#peak 44 )
&rst
ixpk= 44, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 519, 520,
&end
#
# 23 MET HG3 24 ILE HN 5.16 (#peak 45 )
&rst
ixpk= 45, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 337, 336,
&end
#
# 24 ILE HN 24 ILE HG12 5.22 (#peak 49 )
&rst
ixpk= 49, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 356, 357,
&end
#
# 50 LYS QG 51 TRP HN 5.14 (#peak 63 )
&rst
ixpk= 63, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 737, 738,
&end
#
# 36 PHE QD 37 HIE HN 7.28 (#peak 68 )
&rst
ixpk= 68, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1= 523, 531,
&end
#
# 13 CYZ HB3 37 HIE HN 4.48 (#peak 71 )
&rst
ixpk= 71, nxpk= 0, iat= 189, 535, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 13 CYZ HB2 37 HIE HN 3.48 (#peak 77 )
&rst
ixpk= 77, nxpk= 0, iat= 188, 535, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 28 ASN HN 28 ASN HD22 5.47 (#peak 81 )
&rst
ixpk= 81, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 405, 404,
&end
#
# 28 ASN HD22 52 PHE QD 7.62 (#peak 84 )
&rst
ixpk= 84, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 405, 404,
igr2= 784, 792,
&end
#
# 28 ASN HA 28 ASN HD22 5.44 (#peak 85 )
&rst
ixpk= 85, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 405, 404,
&end
#
# 28 ASN HB3 28 ASN HD22 3.64 (#peak 86 )
&rst
ixpk= 86, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 400, 399,
igr2= 405, 404,
&end
#
# 28 ASN HD22 31 CYSS HA 4.20 (#peak 87 )
&rst
ixpk= 87, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 405, 404,
&end
#
# 28 ASN HD22 31 CYSS HB3 4.94 (#peak 88 )
&rst
ixpk= 88, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 405, 404,
&end
#
# 28 ASN HB2 28 ASN HD22 3.33 (#peak 90 )
&rst
ixpk= 90, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 399, 400,
igr2= 405, 404,
&end
#
# 34 GLU HN 34 GLU HG2 4.35 (#peak 100 )
&rst
ixpk= 100, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 483, 484,
&end
#
# 34 GLU HN 36 PHE QE 7.62 (#peak 107 )
&rst
ixpk= 107, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 525, 529,
&end
#
# 36 PHE HN 36 PHE QD 6.47 (#peak 110 )
&rst
ixpk= 110, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr2= 523, 531,
&end
#
# 28 ASN HN 28 ASN HD21 5.50 (#peak 163 )
&rst
ixpk= 163, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 404, 405,
&end
#
# 28 ASN HN 52 PHE QE 5.98 (#peak 164 )
&rst
ixpk= 164, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2= 786, 790,
&end
#
# 55 ARG HG3 56 CYSS HN 5.50 (#peak 184 )
&rst
ixpk= 184, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 829, 828,
&end
#
# 55 ARG HG2 56 CYSS HN 5.50 (#peak 185 )
&rst
ixpk= 185, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 828, 829,
&end
#
# 51 TRP HE3 53 CYSS HN 5.50 (#peak 186 )
&rst
ixpk= 186, nxpk= 0, iat= 771, 796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PHE QE 53 CYSS HN 7.28 (#peak 190 )
&rst
ixpk= 190, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1= 525, 529,
&end
#
# 51 TRP HZ3 53 CYSS HN 4.63 (#peak 192 )
&rst
ixpk= 192, nxpk= 0, iat= 769, 796, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 53 CYSS HN 54 PRO HD2 5.31 (#peak 198 )
&rst
ixpk= 198, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 808, 809,
&end
#
# 46 LYS HN 47 PRO HD3 5.50 (#peak 220 )
&rst
ixpk= 220, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 687, 686,
&end
#
# 46 LYS HN 47 PRO HD2 5.50 (#peak 221 )
&rst
ixpk= 221, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 686, 687,
&end
#
# 46 LYS HN 46 LYS HG3 5.41 (#peak 223 )
&rst
ixpk= 223, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 671, 670,
&end
#
# 46 LYS HN 46 LYS HG2 4.79 (#peak 224 )
&rst
ixpk= 224, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 670, 671,
&end
#
# 52 PHE HB3 57 SER HN 4.35 (#peak 234 )
&rst
ixpk= 234, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 781, 780,
&end
#
# 52 PHE HB2 57 SER HN 5.44 (#peak 235 )
&rst
ixpk= 235, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 780, 781,
&end
#
# 48 ARG HN 48 ARG QD 6.38 (#peak 241 )
&rst
ixpk= 241, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 709, 710,
&end
#
# 48 ARG HN 48 ARG QG 6.38 (#peak 246 )
&rst
ixpk= 246, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 706, 707,
&end
#
# 8 ASN HN 8 ASN HD22 2.80 (#peak 250 )
&rst
ixpk= 250, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 116, 115,
&end
#
# 7 PRO QD 8 ASN HN 5.17 (#peak 257 )
&rst
ixpk= 257, nxpk= 0, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 93, 94,
&end
#
# 6 ASP HN 7 PRO QD 6.38 (#peak 266 )
&rst
ixpk= 266, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 93, 94,
&end
#
# 22 GLU HB3 38 PHE HN 5.50 (#peak 286 )
&rst
ixpk= 286, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 319, 318,
&end
#
# 22 GLU HB2 38 PHE HN 5.50 (#peak 287 )
&rst
ixpk= 287, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 318, 319,
&end
#
# 33 ILE HN 36 PHE HZ 4.63 (#peak 292 )
&rst
ixpk= 292, nxpk= 0, iat= 457, 527, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 33 ILE HN 33 ILE HG13 3.55 (#peak 300 )
&rst
ixpk= 300, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 468, 467,
&end
#
# 33 ILE HN 33 ILE HG12 3.92 (#peak 301 )
&rst
ixpk= 301, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 467, 468,
&end
#
# 24 ILE HG13 25 GLY HN 2.96 (#peak 312 )
&rst
ixpk= 312, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1= 357, 356,
&end
#
# 24 ILE HG12 25 GLY HN 3.36 (#peak 313 )
&rst
ixpk= 313, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 356, 357,
&end
#
# 25 GLY HN 51 TRP HE3 5.50 (#peak 317 )
&rst
ixpk= 317, nxpk= 0, iat= 365, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 MET HN 23 MET HG2 3.48 (#peak 322 )
&rst
ixpk= 322, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 336, 337,
&end
#
# 22 GLU HG3 23 MET HN 5.50 (#peak 323 )
&rst
ixpk= 323, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 322, 321,
&end
#
# 22 GLU HG2 23 MET HN 5.50 (#peak 324 )
&rst
ixpk= 324, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 321, 322,
&end
#
# 22 GLU HN 38 PHE HB2 5.50 (#peak 345 )
&rst
ixpk= 345, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 556, 557,
&end
#
# 22 GLU HN 22 GLU HG3 4.79 (#peak 346 )
&rst
ixpk= 346, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 322, 321,
&end
#
# 22 GLU HN 22 GLU HG2 3.76 (#peak 347 )
&rst
ixpk= 347, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 321, 322,
&end
#
# 54 PRO HD3 55 ARG HN 5.13 (#peak 357 )
&rst
ixpk= 357, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 809, 808,
&end
#
# 54 PRO HD2 55 ARG HN 4.11 (#peak 358 )
&rst
ixpk= 358, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 808, 809,
&end
#
# 11 THR HB 18 VAL HN 5.50 (#peak 369 )
&rst
ixpk= 369, nxpk= 0, iat= 153, 259, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 LYS HN 50 LYS QD 4.92 (#peak 371 )
&rst
ixpk= 371, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 740, 741,
&end
#
# 50 LYS HN 50 LYS QG 5.23 (#peak 372 )
&rst
ixpk= 372, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 737, 738,
&end
#
# 11 THR HB 17 GLN HN 3.73 (#peak 393 )
&rst
ixpk= 393, nxpk= 0, iat= 153, 242, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 17 GLN HN 17 GLN HG3 3.95 (#peak 395 )
&rst
ixpk= 395, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 250, 249,
&end
#
# 17 GLN HN 17 GLN HG2 4.29 (#peak 396 )
&rst
ixpk= 396, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 249, 250,
&end
#
# 62 LYS HN 62 LYS QG 6.07 (#peak 405 )
&rst
ixpk= 405, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 952, 953,
&end
#
# 34 GLU HG3 35 TRP HN 3.67 (#peak 416 )
&rst
ixpk= 416, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 484, 483,
&end
#
# 34 GLU HG2 35 TRP HN 3.45 (#peak 417 )
&rst
ixpk= 417, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 483, 484,
&end
#
# 33 ILE HA 36 PHE HZ 5.50 (#peak 420 )
&rst
ixpk= 420, nxpk= 0, iat= 459, 527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE HG13 36 PHE HZ 5.50 (#peak 421 )
&rst
ixpk= 421, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 468, 467,
&end
#
# 34 GLU HN 36 PHE HZ 4.17 (#peak 422 )
&rst
ixpk= 422, nxpk= 0, iat= 476, 527, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 36 PHE HZ 53 CYSS HN 5.50 (#peak 423 )
&rst
ixpk= 423, nxpk= 0, iat= 527, 796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PHE HZ 54 PRO HD2 5.25 (#peak 428 )
&rst
ixpk= 428, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 808, 809,
&end
#
# 26 CYZ HB2 36 PHE HZ 5.13 (#peak 429 )
&rst
ixpk= 429, nxpk= 0, iat= 376, 527, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 36 PHE HZ 53 CYSS HB3 3.79 (#peak 430 )
&rst
ixpk= 430, nxpk= 0, iat= 527, 801, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 33 ILE HG12 36 PHE HZ 5.22 (#peak 434 )
&rst
ixpk= 434, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 467, 468,
&end
#
# 63 LYS HN 63 LYS QG 6.38 (#peak 440 )
&rst
ixpk= 440, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 974, 975,
&end
#
# 38 PHE QD 43 LEU HN 7.62 (#peak 443 )
&rst
ixpk= 443, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 560, 568,
&end
#
# 38 PHE HB2 43 LEU HN 5.50 (#peak 450 )
&rst
ixpk= 450, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 556, 557,
&end
#
# 43 LEU HN 43 LEU HG 4.07 (#peak 452 )
&rst
ixpk= 452, nxpk= 0, iat= 616, 623, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 7 PRO HA 8 ASN HD22 5.50 (#peak 463 )
&rst
ixpk= 463, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 116, 115,
&end
#
# 9 GLU HN 10 PRO HD3 4.60 (#peak 464 )
&rst
ixpk= 464, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 137, 136,
&end
#
# 9 GLU HN 10 PRO HD2 5.04 (#peak 465 )
&rst
ixpk= 465, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 136, 137,
&end
#
# 7 PRO QD 8 ASN HD22 6.38 (#peak 469 )
&rst
ixpk= 469, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.04, r4= 8.54,
igr1= 93, 94,
igr2= 116, 115,
&end
#
# 8 ASN HB2 8 ASN HD22 3.86 (#peak 472 )
&rst
ixpk= 472, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 110, 111,
igr2= 116, 115,
&end
#
# 60 ARG QG 61 LYS HN 6.38 (#peak 477 )
&rst
ixpk= 477, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 906, 907,
&end
#
# 58 GLN QG 59 GLU HN 6.38 (#peak 480 )
&rst
ixpk= 480, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 874, 875,
&end
#
# 60 ARG HN 60 ARG QG 4.76 (#peak 489 )
&rst
ixpk= 489, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 906, 907,
&end
#
# 60 ARG HN 60 ARG QD 6.38 (#peak 492 )
&rst
ixpk= 492, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 909, 910,
&end
#
# 28 ASN HD22 31 CYSS HN 5.25 (#peak 495 )
&rst
ixpk= 495, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 405, 404,
&end
#
# 26 CYZ HN 36 PHE QD 7.19 (#peak 507 )
&rst
ixpk= 507, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr2= 523, 531,
&end
#
# 26 CYZ HB2 36 PHE QD 7.13 (#peak 509 )
&rst
ixpk= 509, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr2= 523, 531,
&end
#
# 36 PHE QD 51 TRP HZ2 7.62 (#peak 516 )
&rst
ixpk= 516, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 523, 531,
&end
#
# 35 TRP HA 36 PHE QD 7.62 (#peak 518 )
&rst
ixpk= 518, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 523, 531,
&end
#
# 36 PHE HA 36 PHE QD 6.23 (#peak 520 )
&rst
ixpk= 520, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr2= 523, 531,
&end
#
# 16 HIS HN 17 GLN HG3 5.50 (#peak 525 )
&rst
ixpk= 525, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 250, 249,
&end
#
# 14 LEU HG 36 PHE QD 5.98 (#peak 526 )
&rst
ixpk= 526, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2= 523, 531,
&end
#
# 16 HIS HN 17 GLN HG2 5.50 (#peak 534 )
&rst
ixpk= 534, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 249, 250,
&end
#
# 14 LEU HG 15 CYSS HN 4.07 (#peak 544 )
&rst
ixpk= 544, nxpk= 0, iat= 202, 214, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 17 GLN HA 17 GLN HE22 5.50 (#peak 563 )
&rst
ixpk= 563, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 255, 254,
&end
#
# 15 CYSS HB3 17 GLN HE22 4.97 (#peak 565 )
&rst
ixpk= 565, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 255, 254,
&end
#
# 15 CYSS HB2 17 GLN HE22 5.50 (#peak 566 )
&rst
ixpk= 566, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 255, 254,
&end
#
# 17 GLN HG2 17 GLN HE22 3.55 (#peak 568 )
&rst
ixpk= 568, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 249, 250,
igr2= 255, 254,
&end
#
# 10 PRO HG2 11 THR HN 5.38 (#peak 575 )
&rst
ixpk= 575, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 139, 140,
&end
#
# 38 PHE QD 45 THR HN 7.62 (#peak 595 )
&rst
ixpk= 595, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 560, 568,
&end
#
# 51 TRP HN 51 TRP HE3 4.82 (#peak 596 )
&rst
ixpk= 596, nxpk= 0, iat= 752, 771, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 27 ASP HN 51 TRP HE3 3.52 (#peak 597 )
&rst
ixpk= 597, nxpk= 0, iat= 383, 771, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 26 CYZ HN 51 TRP HE3 4.11 (#peak 598 )
&rst
ixpk= 598, nxpk= 0, iat= 372, 771, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 36 PHE QD 51 TRP HE3 7.62 (#peak 599 )
&rst
ixpk= 599, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 523, 531,
&end
#
# 26 CYZ HA 51 TRP HE3 2.65 (#peak 603 )
&rst
ixpk= 603, nxpk= 0, iat= 374, 771, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 51 TRP HE3 53 CYSS HA 5.50 (#peak 604 )
&rst
ixpk= 604, nxpk= 0, iat= 771, 798, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TRP HB3 51 TRP HE3 3.45 (#peak 605 )
&rst
ixpk= 605, nxpk= 0, iat= 757, 771, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 51 TRP HB2 51 TRP HE3 3.95 (#peak 606 )
&rst
ixpk= 606, nxpk= 0, iat= 756, 771, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 51 TRP HA 51 TRP HE3 5.50 (#peak 618 )
&rst
ixpk= 618, nxpk= 0, iat= 754, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 ASP HB2 51 TRP HE3 5.50 (#peak 629 )
&rst
ixpk= 629, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 387, 388,
&end
#
# 20 TYR HN 23 MET HG2 5.50 (#peak 649 )
&rst
ixpk= 649, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 336, 337,
&end
#
# 20 TYR HN 23 MET HG3 5.50 (#peak 657 )
&rst
ixpk= 657, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 337, 336,
&end
#
# 33 ILE HN 36 PHE QE 7.62 (#peak 658 )
&rst
ixpk= 658, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 525, 529,
&end
#
# 14 LEU HN 36 PHE QE 7.25 (#peak 660 )
&rst
ixpk= 660, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
igr2= 525, 529,
&end
#
# 26 CYZ HN 36 PHE QE 6.41 (#peak 662 )
&rst
ixpk= 662, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2= 525, 529,
&end
#
# 36 PHE QE 51 TRP HZ3 6.85 (#peak 664 )
&rst
ixpk= 664, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1= 525, 529,
&end
#
# 13 CYZ HA 36 PHE QE 7.28 (#peak 667 )
&rst
ixpk= 667, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr2= 525, 529,
&end
#
# 36 PHE QE 54 PRO HD2 7.44 (#peak 669 )
&rst
ixpk= 669, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.37, r4= 9.87,
igr1= 525, 529,
igr2= 808, 809,
&end
#
# 26 CYZ HB2 36 PHE QE 6.07 (#peak 670 )
&rst
ixpk= 670, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 525, 529,
&end
#
# 36 PHE QE 51 TRP HH2 7.59 (#peak 678 )
&rst
ixpk= 678, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02,
igr1= 525, 529,
&end
#
# 26 CYZ HA 36 PHE QE 7.44 (#peak 680 )
&rst
ixpk= 680, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,
igr2= 525, 529,
&end
#
# 33 ILE HA 36 PHE QE 7.62 (#peak 681 )
&rst
ixpk= 681, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 525, 529,
&end
#
# 29 PRO HD2 30 ASP HN 5.19 (#peak 692 )
&rst
ixpk= 692, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 410, 411,
&end
#
# 16 HIS HA 16 HIS HD2 4.26 (#peak 697 )
&rst
ixpk= 697, nxpk= 0, iat= 227, 238, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 15 CYSS HA 16 HIS HD2 5.34 (#peak 698 )
&rst
ixpk= 698, nxpk= 0, iat= 216, 238, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 14 LEU HA 16 HIS HD2 5.50 (#peak 699 )
&rst
ixpk= 699, nxpk= 0, iat= 197, 238, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 HIS HB3 16 HIS HD2 3.89 (#peak 700 )
&rst
ixpk= 700, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 230, 229,
&end
#
# 51 TRP HN 51 TRP HD1 5.50 (#peak 704 )
&rst
ixpk= 704, nxpk= 0, iat= 752, 760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TRP HD1 52 PHE HN 5.38 (#peak 705 )
&rst
ixpk= 705, nxpk= 0, iat= 760, 776, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 51 TRP HA 51 TRP HD1 3.98 (#peak 706 )
&rst
ixpk= 706, nxpk= 0, iat= 754, 760, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 47 PRO HD3 51 TRP HD1 5.13 (#peak 708 )
&rst
ixpk= 708, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 687, 686,
&end
#
# 47 PRO HD2 51 TRP HD1 5.31 (#peak 709 )
&rst
ixpk= 709, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 686, 687,
&end
#
# 51 TRP HB3 51 TRP HD1 3.58 (#peak 710 )
&rst
ixpk= 710, nxpk= 0, iat= 757, 760, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 47 PRO HB2 51 TRP HD1 4.91 (#peak 713 )
&rst
ixpk= 713, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 692, 693,
&end
#
# 47 PRO HG3 51 TRP HD1 3.64 (#peak 714 )
&rst
ixpk= 714, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 690, 689,
&end
#
# 47 PRO HG2 51 TRP HD1 3.73 (#peak 715 )
&rst
ixpk= 715, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 689, 690,
&end
#
# 43 LEU HG 51 TRP HD1 5.50 (#peak 721 )
&rst
ixpk= 721, nxpk= 0, iat= 623, 760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 LYS QE 52 PHE HZ 6.38 (#peak 740 )
&rst
ixpk= 740, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 743, 744,
&end
#
# 28 ASN HA 52 PHE HZ 5.50 (#peak 742 )
&rst
ixpk= 742, nxpk= 0, iat= 397, 788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 LYS QG 52 PHE HZ 5.69 (#peak 743 )
&rst
ixpk= 743, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 737, 738,
&end
#
# 12 TYR QD 34 GLU HG3 7.64 (#peak 745 )
&rst
ixpk= 745, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
igr1= 171, 180,
igr2= 484, 483,
&end
#
# 10 PRO HB2 12 TYR QD 7.64 (#peak 746 )
&rst
ixpk= 746, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
igr1= 142, 143,
igr2= 171, 180,
&end
#
# 12 TYR QD 19 SER HN 6.24 (#peak 747 )
&rst
ixpk= 747, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 171, 180,
&end
#
# 12 TYR HN 12 TYR QD 6.34 (#peak 748 )
&rst
ixpk= 748, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2= 171, 180,
&end
#
# 12 TYR HA 12 TYR QD 5.38 (#peak 750 )
&rst
ixpk= 750, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 171, 180,
&end
#
# 12 TYR QD 18 VAL HA 6.21 (#peak 751 )
&rst
ixpk= 751, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 171, 180,
&end
#
# 12 TYR QD 19 SER QB 7.93 (#peak 754 )
&rst
ixpk= 754, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 171, 180,
igr2= 279, 280,
&end
#
# 24 ILE HN 35 TRP HE3 4.35 (#peak 760 )
&rst
ixpk= 760, nxpk= 0, iat= 346, 510, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 35 TRP HE3 36 PHE HN 3.89 (#peak 761 )
&rst
ixpk= 761, nxpk= 0, iat= 510, 515, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 25 GLY HN 35 TRP HE3 5.50 (#peak 763 )
&rst
ixpk= 763, nxpk= 0, iat= 365, 510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 TRP HN 35 TRP HE3 5.50 (#peak 764 )
&rst
ixpk= 764, nxpk= 0, iat= 491, 510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 TRP HA 35 TRP HE3 3.67 (#peak 766 )
&rst
ixpk= 766, nxpk= 0, iat= 493, 510, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 24 ILE HA 35 TRP HE3 5.50 (#peak 767 )
&rst
ixpk= 767, nxpk= 0, iat= 348, 510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 MET HG3 35 TRP HE3 5.50 (#peak 769 )
&rst
ixpk= 769, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 337, 336,
&end
#
# 23 MET HB3 35 TRP HE3 3.52 (#peak 770 )
&rst
ixpk= 770, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 334, 333,
&end
#
# 23 MET HB2 35 TRP HE3 3.92 (#peak 771 )
&rst
ixpk= 771, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 333, 334,
&end
#
# 23 MET HA 35 TRP HE3 5.50 (#peak 772 )
&rst
ixpk= 772, nxpk= 0, iat= 331, 510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 LYS QE 52 PHE QE 8.50 (#peak 779 )
&rst
ixpk= 779, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.71, r4=11.21,
igr1= 743, 744,
igr2= 786, 790,
&end
#
# 50 LYS QD 52 PHE QE 8.50 (#peak 780 )
&rst
ixpk= 780, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.71, r4=11.21,
igr1= 740, 741,
igr2= 786, 790,
&end
#
# 28 ASN HN 52 PHE QD 6.75 (#peak 783 )
&rst
ixpk= 783, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr2= 784, 792,
&end
#
# 28 ASN HB3 52 PHE QE 7.59 (#peak 786 )
&rst
ixpk= 786, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
igr1= 400, 399,
igr2= 786, 790,
&end
#
# 28 ASN HB2 52 PHE QE 7.16 (#peak 789 )
&rst
ixpk= 789, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.02, r4= 9.52,
igr1= 399, 400,
igr2= 786, 790,
&end
#
# 35 TRP HN 35 TRP HD1 3.89 (#peak 800 )
&rst
ixpk= 800, nxpk= 0, iat= 491, 499, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 34 GLU HG2 35 TRP HD1 3.36 (#peak 803 )
&rst
ixpk= 803, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 483, 484,
&end
#
# 12 TYR QE 35 TRP HD1 7.63 (#peak 805 )
&rst
ixpk= 805, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr1= 173, 178,
&end
#
# 35 TRP HA 35 TRP HD1 5.00 (#peak 806 )
&rst
ixpk= 806, nxpk= 0, iat= 493, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 GLU HB3 35 TRP HD1 5.50 (#peak 807 )
&rst
ixpk= 807, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 481, 480,
&end
#
# 8 ASN HN 8 ASN HD21 5.50 (#peak 808 )
&rst
ixpk= 808, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 115, 116,
&end
#
# 7 PRO HG2 8 ASN HD21 5.50 (#peak 812 )
&rst
ixpk= 812, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 96, 97,
igr2= 115, 116,
&end
#
# 20 TYR QD 22 GLU HN 7.64 (#peak 814 )
&rst
ixpk= 814, nxpk= 0, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 294, 303,
&end
#
# 20 TYR HN 20 TYR QD 7.21 (#peak 816 )
&rst
ixpk= 816, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 294, 303,
&end
#
# 41 VAL HA 51 TRP HZ2 5.19 (#peak 818 )
&rst
ixpk= 818, nxpk= 0, iat= 595, 765, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 20 TYR HA 20 TYR QD 6.74 (#peak 819 )
&rst
ixpk= 819, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2= 294, 303,
&end
#
# 20 TYR QD 21 GLY HA2 6.40 (#peak 820 )
&rst
ixpk= 820, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
igr1= 294, 303,
igr2= 309, 310,
&end
#
# 20 TYR QD 21 GLY HA1 7.08 (#peak 821 )
&rst
ixpk= 821, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.92, r4= 9.42,
igr1= 294, 303,
igr2= 309, 310,
&end
#
# 51 TRP HZ2 54 PRO HD3 3.83 (#peak 822 )
&rst
ixpk= 822, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 809, 808,
&end
#
# 41 VAL HB 51 TRP HZ2 2.59 (#peak 825 )
&rst
ixpk= 825, nxpk= 0, iat= 597, 765, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09, &end
#
# 17 GLN HG2 20 TYR QD 7.64 (#peak 826 )
&rst
ixpk= 826, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
igr1= 249, 250,
igr2= 294, 303,
&end
#
# 51 TRP HZ2 53 CYSS HB3 5.50 (#peak 827 )
&rst
ixpk= 827, nxpk= 0, iat= 765, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TRP HZ2 53 CYSS HA 3.24 (#peak 831 )
&rst
ixpk= 831, nxpk= 0, iat= 765, 798, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 20 TYR QD 21 GLY HN 7.02 (#peak 838 )
&rst
ixpk= 838, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
igr1= 294, 303,
&end
#
# 51 TRP HZ2 53 CYSS HB2 4.65 (#peak 840 )
&rst
ixpk= 840, nxpk= 0, iat= 765, 800, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 38 PHE QE 44 THR HA 7.62 (#peak 844 )
&rst
ixpk= 844, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 562, 566,
&end
#
# 17 GLN HA 17 GLN HE21 5.50 (#peak 853 )
&rst
ixpk= 853, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 254, 255,
&end
#
# 38 PHE QE 45 THR HA 6.26 (#peak 854 )
&rst
ixpk= 854, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr1= 562, 566,
&end
#
# 38 PHE QE 47 PRO HD3 7.44 (#peak 855 )
&rst
ixpk= 855, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.37, r4= 9.87,
igr1= 562, 566,
igr2= 687, 686,
&end
#
# 22 GLU HG2 38 PHE QE 7.62 (#peak 857 )
&rst
ixpk= 857, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 321, 322,
igr2= 562, 566,
&end
#
# 24 ILE HB 38 PHE QE 5.11 (#peak 859 )
&rst
ixpk= 859, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 562, 566,
&end
#
# 24 ILE HA 38 PHE QE 6.69 (#peak 864 )
&rst
ixpk= 864, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
igr2= 562, 566,
&end
#
# 24 ILE HG13 38 PHE QE 7.37 (#peak 866 )
&rst
ixpk= 866, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.29, r4= 9.79,
igr1= 357, 356,
igr2= 562, 566,
&end
#
# 23 MET HA 35 TRP HZ3 5.50 (#peak 872 )
&rst
ixpk= 872, nxpk= 0, iat= 331, 508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 HIE HD2 38 PHE HN 4.82 (#peak 873 )
&rst
ixpk= 873, nxpk= 0, iat= 548, 552, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 37 HIE HN 37 HIE HD2 5.50 (#peak 874 )
&rst
ixpk= 874, nxpk= 0, iat= 535, 548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 HIE HA 37 HIE HD2 4.23 (#peak 876 )
&rst
ixpk= 876, nxpk= 0, iat= 537, 548, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 12 TYR QE 19 SER HN 6.64 (#peak 890 )
&rst
ixpk= 890, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1= 173, 178,
&end
#
# 12 TYR QE 18 VAL HA 7.17 (#peak 891 )
&rst
ixpk= 891, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr1= 173, 178,
&end
#
# 10 PRO HA 12 TYR QE 7.63 (#peak 892 )
&rst
ixpk= 892, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2= 173, 178,
&end
#
# 12 TYR QE 19 SER QB 7.30 (#peak 893 )
&rst
ixpk= 893, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70,
igr1= 173, 178,
igr2= 279, 280,
&end
#
# 11 THR HA 12 TYR QE 7.63 (#peak 903 )
&rst
ixpk= 903, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2= 173, 178,
&end
#
# 12 TYR QE 19 SER HA 7.63 (#peak 904 )
&rst
ixpk= 904, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr1= 173, 178,
&end
#
# 12 TYR QE 35 TRP HB3 7.63 (#peak 907 )
&rst
ixpk= 907, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr1= 173, 178,
&end
#
# 12 TYR QE 35 TRP HB2 7.63 (#peak 908 )
&rst
ixpk= 908, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr1= 173, 178,
&end
#
# 38 PHE QD 39 ALA HN 7.53 (#peak 911 )
&rst
ixpk= 911, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95,
igr1= 560, 568,
&end
#
# 38 PHE HN 38 PHE QD 5.64 (#peak 912 )
&rst
ixpk= 912, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 560, 568,
&end
#
# 23 MET HA 38 PHE QD 6.38 (#peak 915 )
&rst
ixpk= 915, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 560, 568,
&end
#
# 37 HIE HA 38 PHE QD 7.25 (#peak 916 )
&rst
ixpk= 916, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
igr2= 560, 568,
&end
#
# 24 ILE HA 38 PHE QD 7.62 (#peak 917 )
&rst
ixpk= 917, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 560, 568,
&end
#
# 38 PHE QD 45 THR HA 7.06 (#peak 918 )
&rst
ixpk= 918, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr1= 560, 568,
&end
#
# 38 PHE HA 38 PHE QD 5.23 (#peak 920 )
&rst
ixpk= 920, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 560, 568,
&end
#
# 22 GLU HG3 38 PHE QD 7.62 (#peak 923 )
&rst
ixpk= 923, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 322, 321,
igr2= 560, 568,
&end
#
# 22 GLU HG2 38 PHE QD 7.62 (#peak 924 )
&rst
ixpk= 924, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 321, 322,
igr2= 560, 568,
&end
#
# 24 ILE HB 38 PHE QD 6.01 (#peak 926 )
&rst
ixpk= 926, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2= 560, 568,
&end
#
# 38 PHE QD 43 LEU HG 7.59 (#peak 927 )
&rst
ixpk= 927, nxpk= 0, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02,
igr1= 560, 568,
&end
#
# 38 PHE QD 43 LEU HB3 6.94 (#peak 928 )
&rst
ixpk= 928, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.74, r4= 9.24,
igr1= 560, 568,
igr2= 621, 620,
&end
#
# 38 PHE QD 43 LEU HB2 6.85 (#peak 930 )
&rst
ixpk= 930, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.63, r4= 9.13,
igr1= 560, 568,
igr2= 620, 621,
&end
#
# 22 GLU HB2 38 PHE QD 7.25 (#peak 931 )
&rst
ixpk= 931, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 318, 319,
igr2= 560, 568,
&end
#
# 18 VAL HN 20 TYR QE 7.63 (#peak 938 )
&rst
ixpk= 938, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2= 296, 301,
&end
#
# 20 TYR QE 35 TRP HZ2 7.35 (#peak 939 )
&rst
ixpk= 939, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
igr1= 296, 301,
&end
#
# 17 GLN HG2 20 TYR QE 6.14 (#peak 942 )
&rst
ixpk= 942, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
igr1= 249, 250,
igr2= 296, 301,
&end
#
# 17 GLN QB 20 TYR QE 8.23 (#peak 943 )
&rst
ixpk= 943, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.37, r4=10.87,
igr1= 246, 247,
igr2= 296, 301,
&end
#
# 20 TYR QE 21 GLY HA2 7.63 (#peak 946 )
&rst
ixpk= 946, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 296, 301,
igr2= 309, 310,
&end
#
# 36 PHE HN 51 TRP HZ3 5.31 (#peak 950 )
&rst
ixpk= 950, nxpk= 0, iat= 515, 769, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 27 ASP HN 51 TRP HZ3 4.51 (#peak 951 )
&rst
ixpk= 951, nxpk= 0, iat= 383, 769, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 36 PHE QD 51 TRP HZ3 5.73 (#peak 952 )
&rst
ixpk= 952, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 523, 531,
&end
#
# 51 TRP HZ3 52 PHE HA 5.31 (#peak 954 )
&rst
ixpk= 954, nxpk= 0, iat= 769, 778, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 51 TRP HZ3 53 CYSS HA 4.32 (#peak 955 )
&rst
ixpk= 955, nxpk= 0, iat= 769, 798, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 26 CYZ HB2 51 TRP HZ3 3.95 (#peak 956 )
&rst
ixpk= 956, nxpk= 0, iat= 376, 769, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 26 CYZ HN 51 TRP HZ3 3.79 (#peak 958 )
&rst
ixpk= 958, nxpk= 0, iat= 372, 769, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 26 CYZ HA 51 TRP HZ3 3.11 (#peak 962 )
&rst
ixpk= 962, nxpk= 0, iat= 374, 769, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 36 PHE HB2 51 TRP HZ3 4.48 (#peak 963 )
&rst
ixpk= 963, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 519, 520,
&end
#
# 51 TRP HZ3 53 CYSS HB3 4.45 (#peak 964 )
&rst
ixpk= 964, nxpk= 0, iat= 769, 801, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 24 ILE HG13 51 TRP HZ3 5.50 (#peak 966 )
&rst
ixpk= 966, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 357, 356,
&end
#
# 24 ILE HG12 51 TRP HZ3 4.72 (#peak 968 )
&rst
ixpk= 968, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 356, 357,
&end
#
# 51 TRP HH2 53 CYSS HB3 3.79 (#peak 972 )
&rst
ixpk= 972, nxpk= 0, iat= 767, 801, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 51 TRP HH2 53 CYSS HN 4.94 (#peak 974 )
&rst
ixpk= 974, nxpk= 0, iat= 767, 796, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 36 PHE HB2 51 TRP HH2 4.01 (#peak 982 )
&rst
ixpk= 982, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 519, 520,
&end
#
# 28 ASN HA 29 PRO HD2 3.92 (#peak 1027 )
&rst
ixpk= 1027, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 410, 411,
&end
#
# 11 THR HA 12 TYR QD 7.64 (#peak 1040 )
&rst
ixpk= 1040, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr2= 171, 180,
&end
#
# 12 TYR QD 19 SER HA 7.64 (#peak 1060 )
&rst
ixpk= 1060, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 171, 180,
&end
#
# 46 LYS HA 47 PRO HD2 3.08 (#peak 1078 )
&rst
ixpk= 1078, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 686, 687,
&end
#
# 6 ASP HA 7 PRO QD 3.80 (#peak 1124 )
&rst
ixpk= 1124, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 93, 94,
&end
#
# 34 GLU HA 36 PHE QE 7.62 (#peak 1131 )
&rst
ixpk= 1131, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 525, 529,
&end
#
# 26 CYZ HB3 34 GLU HA 3.76 (#peak 1132 )
&rst
ixpk= 1132, nxpk= 0, iat= 377, 478, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 34 GLU HA 34 GLU HG3 3.95 (#peak 1133 )
&rst
ixpk= 1133, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 484, 483,
&end
#
# 52 PHE HB3 57 SER HA 5.50 (#peak 1139 )
&rst
ixpk= 1139, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 781, 780,
&end
#
# 57 SER HA 60 ARG QG 5.94 (#peak 1140 )
&rst
ixpk= 1140, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2= 906, 907,
&end
#
# 9 GLU HA 10 PRO HD3 2.59 (#peak 1141 )
&rst
ixpk= 1141, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
igr2= 137, 136,
&end
#
# 52 PHE HB2 57 SER HB3 4.94 (#peak 1145 )
&rst
ixpk= 1145, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 780, 781,
igr2= 861, 860,
&end
#
# 52 PHE HB3 57 SER HB3 5.50 (#peak 1151 )
&rst
ixpk= 1151, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 781, 780,
igr2= 861, 860,
&end
#
# 28 ASN HD21 31 CYSS HA 4.07 (#peak 1164 )
&rst
ixpk= 1164, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 404, 405,
&end
#
# 9 GLU HA 10 PRO HD2 3.36 (#peak 1169 )
&rst
ixpk= 1169, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 136, 137,
&end
#
# 11 THR HB 16 HIS HB2 5.50 (#peak 1178 )
&rst
ixpk= 1178, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 229, 230,
&end
#
# 18 VAL HB 19 SER QB 5.91 (#peak 1189 )
&rst
ixpk= 1189, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 279, 280,
&end
#
# 52 PHE HB2 57 SER HB2 5.50 (#peak 1193 )
&rst
ixpk= 1193, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 780, 781,
igr2= 860, 861,
&end
#
# 52 PHE HB3 57 SER HB2 5.28 (#peak 1196 )
&rst
ixpk= 1196, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 781, 780,
igr2= 860, 861,
&end
#
# 41 VAL HB 53 CYSS HA 5.16 (#peak 1204 )
&rst
ixpk= 1204, nxpk= 0, iat= 597, 798, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 53 CYSS HA 54 PRO HG2 5.50 (#peak 1205 )
&rst
ixpk= 1205, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 811, 812,
&end
#
# 51 TRP HE1 53 CYSS HA 5.41 (#peak 1207 )
&rst
ixpk= 1207, nxpk= 0, iat= 762, 798, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 36 PHE HZ 53 CYSS HA 5.50 (#peak 1210 )
&rst
ixpk= 1210, nxpk= 0, iat= 527, 798, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PHE QE 53 CYSS HA 7.62 (#peak 1211 )
&rst
ixpk= 1211, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 525, 529,
&end
#
# 51 TRP HH2 53 CYSS HA 3.33 (#peak 1214 )
&rst
ixpk= 1214, nxpk= 0, iat= 767, 798, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 46 LYS HA 47 PRO HD3 2.40 (#peak 1222 )
&rst
ixpk= 1222, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr2= 687, 686,
&end
#
# 46 LYS HG3 47 PRO HD3 5.50 (#peak 1229 )
&rst
ixpk= 1229, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 671, 670,
igr2= 687, 686,
&end
#
# 53 CYSS HB2 54 PRO HD3 3.55 (#peak 1234 )
&rst
ixpk= 1234, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 809, 808,
&end
#
# 53 CYSS HN 54 PRO HD3 5.41 (#peak 1235 )
&rst
ixpk= 1235, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 809, 808,
&end
#
# 51 TRP HH2 54 PRO HD3 4.26 (#peak 1236 )
&rst
ixpk= 1236, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 809, 808,
&end
#
# 41 VAL HB 54 PRO HD3 5.13 (#peak 1237 )
&rst
ixpk= 1237, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 809, 808,
&end
#
# 36 PHE QE 54 PRO HD3 7.62 (#peak 1244 )
&rst
ixpk= 1244, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 525, 529,
igr2= 809, 808,
&end
#
# 28 ASN HB2 31 CYSS HB3 4.69 (#peak 1247 )
&rst
ixpk= 1247, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 399, 400,
&end
#
# 28 ASN HD21 31 CYSS HB3 4.32 (#peak 1250 )
&rst
ixpk= 1250, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 404, 405,
&end
#
# 26 CYZ HB3 31 CYSS HB3 4.29 (#peak 1251 )
&rst
ixpk= 1251, nxpk= 0, iat= 377, 440, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 37 HIE HB3 40 CYSS HB3 4.69 (#peak 1259 )
&rst
ixpk= 1259, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 540, 539,
&end
#
# 41 VAL HB 54 PRO HD2 5.28 (#peak 1262 )
&rst
ixpk= 1262, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 808, 809,
&end
#
# 51 TRP HH2 54 PRO HD2 4.57 (#peak 1271 )
&rst
ixpk= 1271, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 808, 809,
&end
#
# 53 CYSS HB2 54 PRO HD2 3.98 (#peak 1272 )
&rst
ixpk= 1272, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 808, 809,
&end
#
# 38 PHE HB3 43 LEU HN 4.42 (#peak 1275 )
&rst
ixpk= 1275, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 557, 556,
&end
#
# 38 PHE HB3 43 LEU HB3 3.55 (#peak 1278 )
&rst
ixpk= 1278, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 557, 556,
igr2= 621, 620,
&end
#
# 38 PHE HB3 43 LEU HB2 3.83 (#peak 1279 )
&rst
ixpk= 1279, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 557, 556,
igr2= 620, 621,
&end
#
# 38 PHE QE 47 PRO HD2 7.62 (#peak 1280 )
&rst
ixpk= 1280, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 562, 566,
igr2= 686, 687,
&end
#
# 46 LYS HG2 47 PRO HD2 3.58 (#peak 1284 )
&rst
ixpk= 1284, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 670, 671,
igr2= 686, 687,
&end
#
# 46 LYS HG3 47 PRO HD2 3.83 (#peak 1287 )
&rst
ixpk= 1287, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 671, 670,
igr2= 686, 687,
&end
#
# 15 CYSS HB3 17 GLN HG2 5.50 (#peak 1291 )
&rst
ixpk= 1291, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 249, 250,
&end
#
# 37 HIE HB3 40 CYSS HB2 4.79 (#peak 1303 )
&rst
ixpk= 1303, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 540, 539,
&end
#
# 55 ARG HN 55 ARG QD 6.38 (#peak 1305 )
&rst
ixpk= 1305, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 831, 832,
&end
#
# 55 ARG HA 55 ARG QD 5.32 (#peak 1306 )
&rst
ixpk= 1306, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 831, 832,
&end
#
# 36 PHE HB3 51 TRP HH2 3.95 (#peak 1320 )
&rst
ixpk= 1320, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 520, 519,
&end
#
# 48 ARG HA 48 ARG QD 5.51 (#peak 1324 )
&rst
ixpk= 1324, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 709, 710,
&end
#
# 26 CYZ HB3 36 PHE QD 7.62 (#peak 1342 )
&rst
ixpk= 1342, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 523, 531,
&end
#
# 26 CYZ HB3 51 TRP HZ3 4.66 (#peak 1343 )
&rst
ixpk= 1343, nxpk= 0, iat= 377, 769, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 26 CYZ HB3 36 PHE QE 7.47 (#peak 1350 )
&rst
ixpk= 1350, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
igr2= 525, 529,
&end
#
# 26 CYZ HB2 34 GLU HN 5.50 (#peak 1354 )
&rst
ixpk= 1354, nxpk= 0, iat= 376, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 CYZ HB2 53 CYSS HB3 5.19 (#peak 1355 )
&rst
ixpk= 1355, nxpk= 0, iat= 376, 801, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 26 CYZ HB2 53 CYSS HB2 5.50 (#peak 1356 )
&rst
ixpk= 1356, nxpk= 0, iat= 376, 800, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 CYZ HB2 31 CYSS HB2 5.50 (#peak 1359 )
&rst
ixpk= 1359, nxpk= 0, iat= 376, 439, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 CYZ HB2 34 GLU HA 4.11 (#peak 1360 )
&rst
ixpk= 1360, nxpk= 0, iat= 376, 478, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 12 TYR HB3 35 TRP HN 5.50 (#peak 1363 )
&rst
ixpk= 1363, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 168, 167,
&end
#
# 26 CYZ HB2 51 TRP HE3 5.50 (#peak 1364 )
&rst
ixpk= 1364, nxpk= 0, iat= 376, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 PHE HB2 43 LEU HB2 5.50 (#peak 1379 )
&rst
ixpk= 1379, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 556, 557,
igr2= 620, 621,
&end
#
# 28 ASN HB3 56 CYSS HB3 5.50 (#peak 1412 )
&rst
ixpk= 1412, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 400, 399,
&end
#
# 6 ASP HB3 7 PRO HG2 4.14 (#peak 1422 )
&rst
ixpk= 1422, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 85, 84,
igr2= 96, 97,
&end
#
# 52 PHE HB3 56 CYSS HB2 3.92 (#peak 1438 )
&rst
ixpk= 1438, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 781, 780,
&end
#
# 7 PRO QD 8 ASN HB2 6.38 (#peak 1456 )
&rst
ixpk= 1456, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.04, r4= 8.54,
igr1= 93, 94,
igr2= 110, 111,
&end
#
# 47 PRO HG2 51 TRP HB2 5.34 (#peak 1464 )
&rst
ixpk= 1464, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 689, 690,
&end
#
# 51 TRP HB2 51 TRP HD1 3.30 (#peak 1465 )
&rst
ixpk= 1465, nxpk= 0, iat= 756, 760, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 17 GLN HG3 20 TYR QE 7.63 (#peak 1476 )
&rst
ixpk= 1476, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 250, 249,
igr2= 296, 301,
&end
#
# 60 ARG HA 60 ARG QD 5.97 (#peak 1484 )
&rst
ixpk= 1484, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 909, 910,
&end
#
# 57 SER HA 60 ARG QD 5.73 (#peak 1485 )
&rst
ixpk= 1485, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 909, 910,
&end
#
# 6 ASP HB2 7 PRO QD 6.07 (#peak 1495 )
&rst
ixpk= 1495, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,
igr1= 84, 85,
igr2= 93, 94,
&end
#
# 17 GLN HG2 18 VAL HN 3.27 (#peak 1502 )
&rst
ixpk= 1502, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 249, 250,
&end
#
# 17 GLN HA 17 GLN HG2 3.58 (#peak 1510 )
&rst
ixpk= 1510, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 249, 250,
&end
#
# 27 ASP HB3 52 PHE HZ 4.54 (#peak 1519 )
&rst
ixpk= 1519, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 388, 387,
&end
#
# 27 ASP HB3 50 LYS QG 5.54 (#peak 1524 )
&rst
ixpk= 1524, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 388, 387,
igr2= 737, 738,
&end
#
# 58 GLN HN 58 GLN QG 6.38 (#peak 1531 )
&rst
ixpk= 1531, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 874, 875,
&end
#
# 27 ASP HB3 51 TRP HN 3.92 (#peak 1542 )
&rst
ixpk= 1542, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 388, 387,
&end
#
# 13 CYZ HB2 36 PHE HA 4.23 (#peak 1552 )
&rst
ixpk= 1552, nxpk= 0, iat= 188, 517, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 13 CYZ HB2 36 PHE HB3 5.50 (#peak 1554 )
&rst
ixpk= 1554, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 520, 519,
&end
#
# 12 TYR HB3 13 CYZ HB2 5.41 (#peak 1555 )
&rst
ixpk= 1555, nxpk= 0, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 168, 167,
&end
#
# 9 GLU HN 9 GLU QG 5.91 (#peak 1568 )
&rst
ixpk= 1568, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 127, 128,
&end
#
# 9 GLU QG 10 PRO HD2 5.07 (#peak 1571 )
&rst
ixpk= 1571, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 127, 128,
igr2= 136, 137,
&end
#
# 47 PRO HB3 51 TRP HD1 5.47 (#peak 1575 )
&rst
ixpk= 1575, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 693, 692,
&end
#
# 59 GLU HA 59 GLU HG3 3.98 (#peak 1582 )
&rst
ixpk= 1582, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 892, 891,
&end
#
# 59 GLU HN 59 GLU HG3 4.14 (#peak 1584 )
&rst
ixpk= 1584, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 892, 891,
&end
#
# 34 GLU HN 34 GLU HG3 4.66 (#peak 1585 )
&rst
ixpk= 1585, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 484, 483,
&end
#
# 36 PHE QE 53 CYSS HB3 6.54 (#peak 1588 )
&rst
ixpk= 1588, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 525, 529,
&end
#
# 53 CYSS HB3 56 CYSS HB2 4.57 (#peak 1600 )
&rst
ixpk= 1600, nxpk= 0, iat= 801, 849, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 23 MET HA 23 MET HG3 3.73 (#peak 1604 )
&rst
ixpk= 1604, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 337, 336,
&end
#
# 22 GLU HA 23 MET HG3 5.50 (#peak 1606 )
&rst
ixpk= 1606, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 337, 336,
&end
#
# 23 MET HN 23 MET HG3 3.92 (#peak 1607 )
&rst
ixpk= 1607, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 337, 336,
&end
#
# 19 SER QB 23 MET HG3 6.38 (#peak 1611 )
&rst
ixpk= 1611, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.04, r4= 8.54,
igr1= 279, 280,
igr2= 337, 336,
&end
#
# 14 LEU HA 14 LEU HG 3.48 (#peak 1620 )
&rst
ixpk= 1620, nxpk= 0, iat= 197, 202, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 54 PRO HG2 55 ARG HN 5.16 (#peak 1625 )
&rst
ixpk= 1625, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 811, 812,
&end
#
# 10 PRO HG2 12 TYR QE 7.63 (#peak 1674 )
&rst
ixpk= 1674, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 139, 140,
igr2= 173, 178,
&end
#
# 7 PRO HG2 8 ASN HD22 3.52 (#peak 1681 )
&rst
ixpk= 1681, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 96, 97,
igr2= 116, 115,
&end
#
# 7 PRO HG2 8 ASN HN 4.07 (#peak 1682 )
&rst
ixpk= 1682, nxpk= 0, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 96, 97,
&end
#
# 36 PHE HZ 53 CYSS HB2 3.79 (#peak 1690 )
&rst
ixpk= 1690, nxpk= 0, iat= 527, 800, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 36 PHE QE 53 CYSS HB2 6.29 (#peak 1691 )
&rst
ixpk= 1691, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 525, 529,
&end
#
# 51 TRP HZ3 53 CYSS HB2 3.95 (#peak 1692 )
&rst
ixpk= 1692, nxpk= 0, iat= 769, 800, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 51 TRP HH2 53 CYSS HB2 3.70 (#peak 1693 )
&rst
ixpk= 1693, nxpk= 0, iat= 767, 800, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 47 PRO HG3 51 TRP HB3 5.50 (#peak 1729 )
&rst
ixpk= 1729, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 690, 689,
&end
#
# 47 PRO HG3 51 TRP HB2 4.57 (#peak 1735 )
&rst
ixpk= 1735, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 690, 689,
&end
#
# 33 ILE HB 36 PHE HZ 2.77 (#peak 1746 )
&rst
ixpk= 1746, nxpk= 0, iat= 461, 527, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 33 ILE HB 36 PHE QE 7.22 (#peak 1748 )
&rst
ixpk= 1748, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60,
igr2= 525, 529,
&end
#
# 55 ARG HA 55 ARG HG3 4.14 (#peak 1775 )
&rst
ixpk= 1775, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 829, 828,
&end
#
# 27 ASP HB2 51 TRP HN 3.73 (#peak 1783 )
&rst
ixpk= 1783, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 387, 388,
&end
#
# 50 LYS QB 52 PHE HZ 6.16 (#peak 1784 )
&rst
ixpk= 1784, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 734, 735,
&end
#
# 50 LYS QB 52 PHE QE 8.50 (#peak 1785 )
&rst
ixpk= 1785, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.71, r4=11.21,
igr1= 734, 735,
igr2= 786, 790,
&end
#
# 50 LYS QB 50 LYS QE 7.25 (#peak 1789 )
&rst
ixpk= 1789, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 734, 735,
igr2= 743, 744,
&end
#
# 32 SER HN 33 ILE HG13 5.50 (#peak 1803 )
&rst
ixpk= 1803, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 468, 467,
&end
#
# 10 PRO HB2 12 TYR QE 6.64 (#peak 1831 )
&rst
ixpk= 1831, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr1= 142, 143,
igr2= 173, 178,
&end
#
# 50 LYS HA 50 LYS QD 5.45 (#peak 1842 )
&rst
ixpk= 1842, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 740, 741,
&end
#
# 50 LYS QD 51 TRP HN 6.38 (#peak 1844 )
&rst
ixpk= 1844, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 740, 741,
&end
#
# 46 LYS HA 46 LYS HG2 3.42 (#peak 1848 )
&rst
ixpk= 1848, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 670, 671,
&end
#
# 46 LYS HG2 47 PRO HD3 4.69 (#peak 1849 )
&rst
ixpk= 1849, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 670, 671,
igr2= 687, 686,
&end
#
# 24 ILE HB 38 PHE HA 5.50 (#peak 1878 )
&rst
ixpk= 1878, nxpk= 0, iat= 350, 554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 LYS QG 52 PHE QE 8.50 (#peak 1880 )
&rst
ixpk= 1880, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.71, r4=11.21,
igr1= 737, 738,
igr2= 786, 790,
&end
#
# 24 ILE HG13 51 TRP HE3 5.19 (#peak 1888 )
&rst
ixpk= 1888, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 357, 356,
&end
#
# 24 ILE HA 24 ILE HG13 3.61 (#peak 1892 )
&rst
ixpk= 1892, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 357, 356,
&end
#
# 43 LEU HA 43 LEU HG 3.67 (#peak 1896 )
&rst
ixpk= 1896, nxpk= 0, iat= 618, 623, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 38 PHE HA 43 LEU HG 4.66 (#peak 1897 )
&rst
ixpk= 1897, nxpk= 0, iat= 554, 623, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 22 GLU HB3 38 PHE HB2 5.00 (#peak 2003 )
&rst
ixpk= 2003, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 319, 318,
igr2= 556, 557,
&end
#
# 38 PHE QE 43 LEU HB2 7.62 (#peak 2043 )
&rst
ixpk= 2043, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 562, 566,
igr2= 620, 621,
&end
#
# 38 PHE HA 43 LEU HB2 3.76 (#peak 2050 )
&rst
ixpk= 2050, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 620, 621,
&end
#
# 22 GLU HB2 38 PHE QE 6.72 (#peak 2055 )
&rst
ixpk= 2055, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 318, 319,
igr2= 562, 566,
&end
#
# 14 LEU HG 36 PHE QE 5.85 (#peak 2163 )
&rst
ixpk= 2163, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 525, 529,
&end
#
# 12 TYR QE 35 TRP HE1 7.63 (#peak 2176 )
&rst
ixpk= 2176, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr1= 173, 178,
&end
#
# 16 HIS HN 16 HIS HD2 5.50 (#peak 2198 )
&rst
ixpk= 2198, nxpk= 0, iat= 225, 238, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PHE QD 51 TRP HH2 7.13 (#peak 2202 )
&rst
ixpk= 2202, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1= 523, 531,
&end
#
# 7 PRO HG3 8 ASN HN 5.50 (#peak 2204 )
&rst
ixpk= 2204, nxpk= 0, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 97, 96,
&end
#
# 48 ARG QG 49 GLY HN 6.38 (#peak 2210 )
&rst
ixpk= 2210, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 706, 707,
&end
#
# 50 LYS HN 52 PHE QE 7.62 (#peak 2214 )
&rst
ixpk= 2214, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 786, 790,
&end
#
# 32 SER HN 33 ILE HG12 5.50 (#peak 2220 )
&rst
ixpk= 2220, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 467, 468,
&end
#
# 28 ASN HD21 32 SER HN 5.50 (#peak 2223 )
&rst
ixpk= 2223, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 404, 405,
&end
#
# 42 GLY HN 43 LEU HG 5.50 (#peak 2243 )
&rst
ixpk= 2243, nxpk= 0, iat= 609, 623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TYR HN 12 TYR QE 7.63 (#peak 2250 )
&rst
ixpk= 2250, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2= 173, 178,
&end
#
# 22 GLU HN 38 PHE QD 7.62 (#peak 2251 )
&rst
ixpk= 2251, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 560, 568,
&end
#
# 17 GLN HN 17 GLN HE21 5.50 (#peak 2253 )
&rst
ixpk= 2253, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 254, 255,
&end
#
# 35 TRP HE3 36 PHE QD 7.62 (#peak 2263 )
&rst
ixpk= 2263, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 523, 531,
&end
#
# 28 ASN HB2 52 PHE HZ 5.50 (#peak 2274 )
&rst
ixpk= 2274, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 399, 400,
&end
#
# 23 MET HG2 35 TRP HE3 5.50 (#peak 2275 )
&rst
ixpk= 2275, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 336, 337,
&end
#
# 50 LYS QD 52 PHE HZ 6.38 (#peak 2276 )
&rst
ixpk= 2276, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 740, 741,
&end
#
# 18 VAL HB 20 TYR QD 7.64 (#peak 2287 )
&rst
ixpk= 2287, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr2= 294, 303,
&end
#
# 20 TYR HN 20 TYR QE 7.63 (#peak 2291 )
&rst
ixpk= 2291, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2= 296, 301,
&end
#
# 51 TRP HA 51 TRP HE1 5.50 (#peak 2300 )
&rst
ixpk= 2300, nxpk= 0, iat= 754, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 TRP HN 35 TRP HE1 6.00 (#peak 2302 )
&rst
ixpk= 2302, nxpk= 0, iat= 491, 501, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 LEU HN 36 PHE HZ 5.50 (#peak 2304 )
&rst
ixpk= 2304, nxpk= 0, iat= 195, 527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE HB 36 PHE QD 7.62 (#peak 2306 )
&rst
ixpk= 2306, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 523, 531,
&end
#
# 59 GLU HG2 60 ARG HN 5.50 (#peak 2308 )
&rst
ixpk= 2308, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 891, 892,
&end
#
# 59 GLU HG3 60 ARG HN 5.50 (#peak 2309 )
&rst
ixpk= 2309, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 892, 891,
&end
#
# 61 LYS HN 61 LYS QE 6.38 (#peak 2324 )
&rst
ixpk= 2324, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 936, 937,
&end
#
# 17 GLN QB 17 GLN HE21 6.38 (#peak 2328 )
&rst
ixpk= 2328, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.04, r4= 8.54,
igr1= 246, 247,
igr2= 254, 255,
&end
#
# 25 GLY HA1 51 TRP HZ3 5.50 (#peak 2338 )
&rst
ixpk= 2338, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 367, 368,
&end
#
# 51 TRP HZ3 54 PRO HD3 5.50 (#peak 2339 )
&rst
ixpk= 2339, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 809, 808,
&end
#
# 51 TRP HZ3 54 PRO HD2 6.00 (#peak 2340 )
&rst
ixpk= 2340, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 808, 809,
&end
#
# 17 GLN HA 20 TYR QE 7.63 (#peak 2341 )
&rst
ixpk= 2341, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2= 296, 301,
&end
#
# 35 TRP HA 51 TRP HZ3 5.50 (#peak 2342 )
&rst
ixpk= 2342, nxpk= 0, iat= 493, 769, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PHE HZ 51 TRP HZ3 5.50 (#peak 2343 )
&rst
ixpk= 2343, nxpk= 0, iat= 527, 769, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 GLY HN 51 TRP HZ3 5.50 (#peak 2344 )
&rst
ixpk= 2344, nxpk= 0, iat= 365, 769, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 CYZ HB2 51 TRP HH2 5.28 (#peak 2346 )
&rst
ixpk= 2346, nxpk= 0, iat= 376, 767, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 26 CYZ HA 51 TRP HH2 5.50 (#peak 2347 )
&rst
ixpk= 2347, nxpk= 0, iat= 374, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PHE HZ 51 TRP HH2 5.50 (#peak 2348 )
&rst
ixpk= 2348, nxpk= 0, iat= 527, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 MET HA 38 PHE QE 7.62 (#peak 2351 )
&rst
ixpk= 2351, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 562, 566,
&end
#
# 14 LEU HG 37 HIE HN 5.50 (#peak 2359 )
&rst
ixpk= 2359, nxpk= 0, iat= 202, 535, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE HG12 34 GLU HN 5.50 (#peak 2361 )
&rst
ixpk= 2361, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 467, 468,
&end
#
# 36 PHE HN 51 TRP HH2 5.50 (#peak 2373 )
&rst
ixpk= 2373, nxpk= 0, iat= 515, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ASN HD22 32 SER HN 5.50 (#peak 2380 )
&rst
ixpk= 2380, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 405, 404,
&end
#
# 28 ASN HD22 56 CYSS HN 5.50 (#peak 2388 )
&rst
ixpk= 2388, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 405, 404,
&end
#
# 55 ARG QD 56 CYSS HN 6.38 (#peak 2390 )
&rst
ixpk= 2390, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 831, 832,
&end
#
# 24 ILE HN 36 PHE HB3 5.50 (#peak 2418 )
&rst
ixpk= 2418, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 520, 519,
&end
#
# 24 ILE HN 24 ILE HG13 5.50 (#peak 2420 )
&rst
ixpk= 2420, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 357, 356,
&end
#
# 26 CYZ HN 51 TRP HH2 5.50 (#peak 2442 )
&rst
ixpk= 2442, nxpk= 0, iat= 372, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE HG13 36 PHE QE 7.62 (#peak 2452 )
&rst
ixpk= 2452, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 468, 467,
igr2= 525, 529,
&end
#
# 28 ASN HD22 56 CYSS HA 5.50 (#peak 2454 )
&rst
ixpk= 2454, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 405, 404,
&end
#
# 28 ASN HA 28 ASN HD21 5.50 (#peak 2463 )
&rst
ixpk= 2463, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 404, 405,
&end
#
# 23 MET HB3 36 PHE HN 5.50 (#peak 2487 )
&rst
ixpk= 2487, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 334, 333,
&end
#
# 52 PHE HB2 57 SER HA 5.80 (#peak 2494 )
&rst
ixpk= 2494, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 780, 781,
&end
#
# 9 GLU QG 10 PRO HD3 6.38 (#peak 2495 )
&rst
ixpk= 2495, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.04, r4= 8.54,
igr1= 127, 128,
igr2= 137, 136,
&end
#
# 35 TRP HN 36 PHE QD 7.62 (#peak 2502 )
&rst
ixpk= 2502, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 523, 531,
&end
#
# 36 PHE HN 36 PHE QE 7.62 (#peak 2510 )
&rst
ixpk= 2510, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 525, 529,
&end
#
# 38 PHE HN 38 PHE QE 7.62 (#peak 2521 )
&rst
ixpk= 2521, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 562, 566,
&end
#
# 50 LYS HN 50 LYS QE 6.38 (#peak 2533 )
&rst
ixpk= 2533, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 743, 744,
&end
#
# 52 PHE HA 52 PHE QD 7.62 (#peak 2539 )
&rst
ixpk= 2539, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 784, 792,
&end
#
# 55 ARG HN 55 ARG HG3 4.26 (#peak 2545 )
&rst
ixpk= 2545, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 829, 828,
&end
#
# 55 ARG HN 55 ARG HG2 4.63 (#peak 2546 )
&rst
ixpk= 2546, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 828, 829,
&end
#
# 54 PRO HD3 56 CYSS HN 5.50 (#peak 2552 )
&rst
ixpk= 2552, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 809, 808,
&end
#
# 54 PRO HD2 56 CYSS HN 5.50 (#peak 2553 )
&rst
ixpk= 2553, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 808, 809,
&end
#
# 58 GLN HB3 58 GLN HE22 5.50 (#peak 2564 )
&rst
ixpk= 2564, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 872, 871,
igr2= 880, 879,
&end
#
# 58 GLN HB2 58 GLN HE22 5.28 (#peak 2565 )
&rst
ixpk= 2565, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 871, 872,
igr2= 880, 879,
&end
#
# 58 GLN HA 58 GLN HE22 5.50 (#peak 2569 )
&rst
ixpk= 2569, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 880, 879,
&end
#
# 58 GLN HA 58 GLN HE21 5.50 (#peak 2574 )
&rst
ixpk= 2574, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 879, 880,
&end
#
# 59 GLU HN 59 GLU HG2 5.50 (#peak 2575 )
&rst
ixpk= 2575, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 891, 892,
&end
#
# 61 LYS HN 61 LYS QD 6.38 (#peak 2588 )
&rst
ixpk= 2588, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 933, 934,
&end
#
# 61 LYS HN 61 LYS QG 6.38 (#peak 2593 )
&rst
ixpk= 2593, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 930, 931,
&end
#
# 10 PRO HG3 11 THR HN 5.50 (#peak 2604 )
&rst
ixpk= 2604, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 140, 139,
&end
#
# 10 PRO HD2 11 THR HN 5.50 (#peak 2608 )
&rst
ixpk= 2608, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 136, 137,
&end
#
# 29 PRO HD3 30 ASP HN 5.50 (#peak 2614 )
&rst
ixpk= 2614, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 411, 410,
&end
#
# 54 PRO HG3 55 ARG HN 5.50 (#peak 2621 )
&rst
ixpk= 2621, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 812, 811,
&end
#
# 35 TRP HZ3 36 PHE HN 5.50 (#peak 2631 )
&rst
ixpk= 2631, nxpk= 0, iat= 508, 515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 TYR QD 38 PHE HZ 7.64 (#peak 2635 )
&rst
ixpk= 2635, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 294, 303,
&end
#
# 38 PHE HZ 46 LYS HA 5.50 (#peak 2637 )
&rst
ixpk= 2637, nxpk= 0, iat= 564, 665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ASN HB3 31 CYSS HB3 5.50 (#peak 2644 )
&rst
ixpk= 2644, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 400, 399,
&end
#
# 38 PHE HZ 46 LYS HG3 5.50 (#peak 2663 )
&rst
ixpk= 2663, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 671, 670,
&end
#
# 38 PHE QD 47 PRO HD3 7.62 (#peak 2665 )
&rst
ixpk= 2665, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 560, 568,
igr2= 687, 686,
&end
#
# 15 CYSS HB3 17 GLN HG3 5.07 (#peak 2676 )
&rst
ixpk= 2676, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 250, 249,
&end
#
# 47 PRO HG2 51 TRP HE1 5.50 (#peak 2686 )
&rst
ixpk= 2686, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 689, 690,
&end
#
# 47 PRO HG3 51 TRP HE1 5.50 (#peak 2687 )
&rst
ixpk= 2687, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 690, 689,
&end
#
# 41 VAL QG2 51 TRP HE1 6.53 (#peak 9 )
&rst
ixpk= 9, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 603, 604, 605, 599, 600, 601,
&end
#
# 43 LEU QD2 51 TRP HE1 4.39 (#peak 11 )
&rst
ixpk= 11, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 629, 630, 631, 625, 626, 627,
&end
#
# 24 ILE QD1 51 TRP HE1 6.53 (#peak 12 )
&rst
ixpk= 12, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 359, 360, 361,
&end
#
# 24 ILE HN 41 VAL QG1 6.53 (#peak 13 )
&rst
ixpk= 13, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 599, 600, 601, 603, 604, 605,
&end
#
# 43 LEU QD1 51 TRP HE1 4.51 (#peak 14 )
&rst
ixpk= 14, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 625, 626, 627, 629, 630, 631,
&end
#
# 14 LEU HN 33 ILE QD1 6.53 (#peak 32 )
&rst
ixpk= 32, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 470, 471, 472,
&end
#
# 14 LEU HN 33 ILE QG2 5.35 (#peak 33 )
&rst
ixpk= 33, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 463, 464, 465,
&end
#
# 24 ILE HN 24 ILE QG2 3.64 (#peak 50 )
&rst
ixpk= 50, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 352, 353, 354,
&end
#
# 24 ILE HN 24 ILE QD1 5.69 (#peak 53 )
&rst
ixpk= 53, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2= 359, 360, 361,
&end
#
# 24 ILE QD1 51 TRP HN 6.53 (#peak 66 )
&rst
ixpk= 66, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 359, 360, 361,
&end
#
# 37 HIE HN 41 VAL QG1 6.37 (#peak 79 )
&rst
ixpk= 79, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 8.59, r4= 9.09,
igr2= 599, 600, 601, 603, 604, 605,
&end
#
# 24 ILE QG2 37 HIE HN 6.53 (#peak 80 )
&rst
ixpk= 80, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 352, 353, 354,
&end
#
# 33 ILE QD1 34 GLU HN 6.53 (#peak 104 )
&rst
ixpk= 104, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 470, 471, 472,
&end
#
# 33 ILE QG2 34 GLU HN 4.73 (#peak 105 )
&rst
ixpk= 105, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 463, 464, 465,
&end
#
# 24 ILE QG2 36 PHE HN 4.70 (#peak 118 )
&rst
ixpk= 118, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 352, 353, 354,
&end
#
# 39 ALA HN 39 ALA QB 3.43 (#peak 129 )
&rst
ixpk= 129, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 576, 577, 578,
&end
#
# 44 THR HN 44 THR QG2 5.41 (#peak 155 )
&rst
ixpk= 155, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 641, 642, 643,
&end
#
# 43 LEU QD2 44 THR HN 5.44 (#peak 156 )
&rst
ixpk= 156, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 629, 630, 631, 625, 626, 627,
&end
#
# 45 THR QG2 46 LYS HN 4.79 (#peak 225 )
&rst
ixpk= 225, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 655, 656, 657,
&end
#
# 32 SER HN 33 ILE QD1 6.19 (#peak 262 )
&rst
ixpk= 262, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr2= 470, 471, 472,
&end
#
# 5 VAL QQG 6 ASP HN 7.62 (#peak 270 )
&rst
ixpk= 270, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
igr1= 74, 75, 76, 70, 71, 72,
&end
#
# 24 ILE QG2 38 PHE HN 6.53 (#peak 288 )
&rst
ixpk= 288, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 352, 353, 354,
&end
#
# 38 PHE HN 43 LEU QD1 6.53 (#peak 289 )
&rst
ixpk= 289, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 625, 626, 627, 629, 630, 631,
&end
#
# 33 ILE HN 33 ILE QD1 5.44 (#peak 302 )
&rst
ixpk= 302, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 470, 471, 472,
&end
#
# 33 ILE HN 33 ILE QG2 4.76 (#peak 303 )
&rst
ixpk= 303, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 463, 464, 465,
&end
#
# 24 ILE QG2 25 GLY HN 5.29 (#peak 315 )
&rst
ixpk= 315, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 352, 353, 354,
&end
#
# 11 THR QG2 12 TYR HN 5.63 (#peak 336 )
&rst
ixpk= 336, nxpk= 0, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 155, 156, 157,
&end
#
# 11 THR QG2 17 GLN HN 5.04 (#peak 399 )
&rst
ixpk= 399, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 155, 156, 157,
&end
#
# 33 ILE QG2 35 TRP HN 4.26 (#peak 418 )
&rst
ixpk= 418, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 463, 464, 465,
&end
#
# 14 LEU QD2 36 PHE HZ 6.06 (#peak 433 )
&rst
ixpk= 433, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1= 208, 209, 210, 204, 205, 206,
&end
#
# 43 LEU HN 43 LEU QD2 4.88 (#peak 454 )
&rst
ixpk= 454, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 629, 630, 631, 625, 626, 627,
&end
#
# 43 LEU HN 43 LEU QD1 4.76 (#peak 456 )
&rst
ixpk= 456, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2= 625, 626, 627, 629, 630, 631,
&end
#
# 9 GLU HN 18 VAL QG2 6.53 (#peak 468 )
&rst
ixpk= 468, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 33 ILE QG2 36 PHE QD 7.63 (#peak 513 )
&rst
ixpk= 513, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.29, r4=10.79,
igr1= 463, 464, 465,
igr2= 523, 531,
&end
#
# 36 PHE QD 41 VAL QG2 6.36 (#peak 528 )
&rst
ixpk= 528, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12,
igr1= 523, 531,
igr2= 603, 604, 605, 599, 600, 601,
&end
#
# 36 PHE QD 41 VAL QG1 8.46 (#peak 529 )
&rst
ixpk= 529, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.80, r4=13.30,
igr1= 523, 531,
igr2= 599, 600, 601, 603, 604, 605,
&end
#
# 14 LEU QD1 15 CYSS HN 5.75 (#peak 547 )
&rst
ixpk= 547, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 39 ALA QB 42 GLY HN 6.43 (#peak 557 )
&rst
ixpk= 557, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1= 576, 577, 578,
&end
#
# 41 VAL QG2 42 GLY HN 6.34 (#peak 558 )
&rst
ixpk= 558, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 603, 604, 605, 599, 600, 601,
&end
#
# 41 VAL QG1 42 GLY HN 4.95 (#peak 559 )
&rst
ixpk= 559, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 599, 600, 601, 603, 604, 605,
&end
#
# 11 THR HN 11 THR QG2 4.23 (#peak 577 )
&rst
ixpk= 577, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 155, 156, 157,
&end
#
# 44 THR QG2 45 THR HN 6.00 (#peak 590 )
&rst
ixpk= 590, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 641, 642, 643,
&end
#
# 43 LEU QD2 45 THR HN 5.72 (#peak 593 )
&rst
ixpk= 593, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr1= 629, 630, 631, 625, 626, 627,
&end
#
# 43 LEU QD1 45 THR HN 5.85 (#peak 594 )
&rst
ixpk= 594, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 625, 626, 627, 629, 630, 631,
&end
#
# 24 ILE QD1 51 TRP HE3 4.79 (#peak 609 )
&rst
ixpk= 609, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 359, 360, 361,
&end
#
# 24 ILE QG2 51 TRP HE3 4.98 (#peak 610 )
&rst
ixpk= 610, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 352, 353, 354,
&end
#
# 24 ILE QG2 41 VAL HN 6.53 (#peak 632 )
&rst
ixpk= 632, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 352, 353, 354,
&end
#
# 39 ALA QB 40 CYSS HN 4.11 (#peak 638 )
&rst
ixpk= 638, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 576, 577, 578,
&end
#
# 41 VAL HN 41 VAL QG1 3.46 (#peak 645 )
&rst
ixpk= 645, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 599, 600, 601, 603, 604, 605,
&end
#
# 14 LEU QD2 36 PHE QE 6.63 (#peak 673 )
&rst
ixpk= 673, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.03, r4=10.53,
igr1= 208, 209, 210, 204, 205, 206,
igr2= 525, 529,
&end
#
# 33 ILE QD1 36 PHE QE 7.10 (#peak 675 )
&rst
ixpk= 675, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.57, r4=10.07,
igr1= 470, 471, 472,
igr2= 525, 529,
&end
#
# 33 ILE QG2 36 PHE QE 6.73 (#peak 676 )
&rst
ixpk= 676, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.07, r4= 9.57,
igr1= 463, 464, 465,
igr2= 525, 529,
&end
#
# 41 VAL QG1 51 TRP HD1 6.53 (#peak 716 )
&rst
ixpk= 716, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 599, 600, 601, 603, 604, 605,
&end
#
# 43 LEU QD2 51 TRP HD1 4.61 (#peak 717 )
&rst
ixpk= 717, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 629, 630, 631, 625, 626, 627,
&end
#
# 24 ILE QD1 51 TRP HD1 5.29 (#peak 718 )
&rst
ixpk= 718, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 359, 360, 361,
&end
#
# 24 ILE QG2 51 TRP HD1 6.53 (#peak 719 )
&rst
ixpk= 719, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 352, 353, 354,
&end
#
# 43 LEU QD1 51 TRP HD1 4.85 (#peak 720 )
&rst
ixpk= 720, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 625, 626, 627, 629, 630, 631,
&end
#
# 13 CYZ HN 33 ILE QG2 4.26 (#peak 733 )
&rst
ixpk= 733, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 463, 464, 465,
&end
#
# 12 TYR QD 33 ILE QG2 8.39 (#peak 759 )
&rst
ixpk= 759, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 171, 180,
igr2= 463, 464, 465,
&end
#
# 24 ILE QG2 35 TRP HE3 6.53 (#peak 773 )
&rst
ixpk= 773, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 352, 353, 354,
&end
#
# 41 VAL QG2 51 TRP HZ2 3.95 (#peak 829 )
&rst
ixpk= 829, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 603, 604, 605, 599, 600, 601,
&end
#
# 41 VAL QG1 51 TRP HZ2 3.74 (#peak 830 )
&rst
ixpk= 830, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 599, 600, 601, 603, 604, 605,
&end
#
# 24 ILE QG2 51 TRP HZ2 4.88 (#peak 836 )
&rst
ixpk= 836, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 352, 353, 354,
&end
#
# 43 LEU QD1 51 TRP HZ2 4.67 (#peak 837 )
&rst
ixpk= 837, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 625, 626, 627, 629, 630, 631,
&end
#
# 38 PHE QE 39 ALA QB 8.65 (#peak 858 )
&rst
ixpk= 858, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
igr1= 562, 566,
igr2= 576, 577, 578,
&end
#
# 24 ILE QG2 38 PHE QE 7.25 (#peak 861 )
&rst
ixpk= 861, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.77, r4=10.27,
igr1= 352, 353, 354,
igr2= 562, 566,
&end
#
# 38 PHE QE 43 LEU QD1 7.94 (#peak 862 )
&rst
ixpk= 862, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.01, r4=12.51,
igr1= 562, 566,
igr2= 625, 626, 627, 629, 630, 631,
&end
#
# 38 PHE QE 43 LEU QD2 8.65 (#peak 867 )
&rst
ixpk= 867, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
igr1= 562, 566,
igr2= 629, 630, 631, 625, 626, 627,
&end
#
# 24 ILE QG2 38 PHE QD 7.01 (#peak 933 )
&rst
ixpk= 933, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
igr1= 352, 353, 354,
igr2= 560, 568,
&end
#
# 38 PHE QD 43 LEU QD1 7.38 (#peak 934 )
&rst
ixpk= 934, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.17, r4=11.67,
igr1= 560, 568,
igr2= 625, 626, 627, 629, 630, 631,
&end
#
# 41 VAL QG2 51 TRP HZ3 5.66 (#peak 957 )
&rst
ixpk= 957, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 603, 604, 605, 599, 600, 601,
&end
#
# 41 VAL QG1 51 TRP HZ3 6.12 (#peak 967 )
&rst
ixpk= 967, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
igr1= 599, 600, 601, 603, 604, 605,
&end
#
# 24 ILE QD1 51 TRP HZ3 6.53 (#peak 969 )
&rst
ixpk= 969, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 359, 360, 361,
&end
#
# 24 ILE QG2 51 TRP HZ3 4.48 (#peak 970 )
&rst
ixpk= 970, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 352, 353, 354,
&end
#
# 41 VAL QG2 51 TRP HH2 4.14 (#peak 984 )
&rst
ixpk= 984, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 603, 604, 605, 599, 600, 601,
&end
#
# 43 LEU QD2 46 LYS HA 6.53 (#peak 1080 )
&rst
ixpk= 1080, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 629, 630, 631, 625, 626, 627,
&end
#
# 24 ILE QG2 38 PHE HA 5.69 (#peak 1100 )
&rst
ixpk= 1100, nxpk= 0, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 352, 353, 354,
&end
#
# 13 CYZ HA 33 ILE QG2 3.77 (#peak 1159 )
&rst
ixpk= 1159, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 463, 464, 465,
&end
#
# 41 VAL QG2 53 CYSS HA 4.79 (#peak 1206 )
&rst
ixpk= 1206, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 603, 604, 605, 599, 600, 601,
&end
#
# 43 LEU QD2 47 PRO HD3 4.57 (#peak 1226 )
&rst
ixpk= 1226, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 629, 630, 631, 625, 626, 627,
igr2= 687, 686,
&end
#
# 41 VAL QG2 54 PRO HD3 4.54 (#peak 1242 )
&rst
ixpk= 1242, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 603, 604, 605, 599, 600, 601,
igr2= 809, 808,
&end
#
# 41 VAL QG2 54 PRO HD2 4.11 (#peak 1261 )
&rst
ixpk= 1261, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 603, 604, 605, 599, 600, 601,
igr2= 808, 809,
&end
#
# 43 LEU QD2 47 PRO HD2 5.29 (#peak 1288 )
&rst
ixpk= 1288, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1= 629, 630, 631, 625, 626, 627,
igr2= 686, 687,
&end
#
# 24 ILE QD1 51 TRP HB3 4.26 (#peak 1335 )
&rst
ixpk= 1335, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 359, 360, 361,
&end
#
# 14 LEU QD1 15 CYSS HB2 5.75 (#peak 1353 )
&rst
ixpk= 1353, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 14 LEU QD1 15 CYSS HA 5.81 (#peak 1393 )
&rst
ixpk= 1393, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 24 ILE QG2 36 PHE HB2 3.83 (#peak 1429 )
&rst
ixpk= 1429, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 352, 353, 354,
igr2= 519, 520,
&end
#
# 24 ILE QD1 25 GLY HA1 6.53 (#peak 1489 )
&rst
ixpk= 1489, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 359, 360, 361,
igr2= 367, 368,
&end
#
# 23 MET QE 35 TRP HB2 3.99 (#peak 1515 )
&rst
ixpk= 1515, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 340, 341, 342,
&end
#
# 41 VAL QG2 54 PRO HG3 6.53 (#peak 1597 )
&rst
ixpk= 1597, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
igr1= 603, 604, 605, 599, 600, 601,
igr2= 812, 811,
&end
#
# 14 LEU HG 33 ILE QG2 5.69 (#peak 1622 )
&rst
ixpk= 1622, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2= 463, 464, 465,
&end
#
# 9 GLU HB2 18 VAL QG2 6.53 (#peak 1680 )
&rst
ixpk= 1680, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
igr1= 124, 125,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 43 LEU QD2 47 PRO HG3 6.53 (#peak 1736 )
&rst
ixpk= 1736, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
igr1= 629, 630, 631, 625, 626, 627,
igr2= 690, 689,
&end
#
# 43 LEU QD1 47 PRO HG3 5.26 (#peak 1738 )
&rst
ixpk= 1738, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
igr1= 625, 626, 627, 629, 630, 631,
igr2= 690, 689,
&end
#
# 43 LEU QD1 47 PRO HG2 4.45 (#peak 1772 )
&rst
ixpk= 1772, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 625, 626, 627, 629, 630, 631,
igr2= 689, 690,
&end
#
# 24 ILE QD1 47 PRO HG2 4.79 (#peak 1774 )
&rst
ixpk= 1774, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 359, 360, 361,
igr2= 689, 690,
&end
#
# 39 ALA QB 43 LEU HN 6.40 (#peak 1819 )
&rst
ixpk= 1819, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1= 576, 577, 578,
&end
#
# 38 PHE QD 39 ALA QB 8.65 (#peak 1821 )
&rst
ixpk= 1821, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
igr1= 560, 568,
igr2= 576, 577, 578,
&end
#
# 38 PHE HN 39 ALA QB 6.53 (#peak 1827 )
&rst
ixpk= 1827, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 576, 577, 578,
&end
#
# 24 ILE HB 43 LEU QD1 4.70 (#peak 1871 )
&rst
ixpk= 1871, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 625, 626, 627, 629, 630, 631,
&end
#
# 24 ILE HB 24 ILE QD1 3.74 (#peak 1876 )
&rst
ixpk= 1876, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 359, 360, 361,
&end
#
# 24 ILE QG2 24 ILE HG13 4.17 (#peak 1894 )
&rst
ixpk= 1894, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 352, 353, 354,
igr2= 357, 356,
&end
#
# 44 THR HA 44 THR QG2 3.74 (#peak 1903 )
&rst
ixpk= 1903, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 641, 642, 643,
&end
#
# 14 LEU HA 14 LEU QD2 4.33 (#peak 1904 )
&rst
ixpk= 1904, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 208, 209, 210, 204, 205, 206,
&end
#
# 14 LEU HN 14 LEU QD2 5.01 (#peak 1906 )
&rst
ixpk= 1906, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2= 208, 209, 210, 204, 205, 206,
&end
#
# 14 LEU QD2 36 PHE QD 8.46 (#peak 1907 )
&rst
ixpk= 1907, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.80, r4=13.30,
igr1= 208, 209, 210, 204, 205, 206,
igr2= 523, 531,
&end
#
# 14 LEU HB2 14 LEU QD2 4.14 (#peak 1912 )
&rst
ixpk= 1912, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 199, 200,
igr2= 208, 209, 210, 204, 205, 206,
&end
#
# 14 LEU HB3 14 LEU QD1 4.26 (#peak 1919 )
&rst
ixpk= 1919, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 200, 199,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 14 LEU HB2 14 LEU QD1 4.23 (#peak 1920 )
&rst
ixpk= 1920, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 199, 200,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 14 LEU HN 14 LEU QD1 5.10 (#peak 1921 )
&rst
ixpk= 1921, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 14 LEU QD1 36 PHE QD 8.65 (#peak 1922 )
&rst
ixpk= 1922, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
igr1= 204, 205, 206, 208, 209, 210,
igr2= 523, 531,
&end
#
# 14 LEU QD1 36 PHE QE 8.18 (#peak 1923 )
&rst
ixpk= 1923, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.38, r4=12.88,
igr1= 204, 205, 206, 208, 209, 210,
igr2= 525, 529,
&end
#
# 14 LEU HA 14 LEU QD1 5.07 (#peak 1924 )
&rst
ixpk= 1924, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 14 LEU QD1 40 CYSS HB3 6.53 (#peak 1925 )
&rst
ixpk= 1925, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 45 THR HN 45 THR QG2 5.10 (#peak 1930 )
&rst
ixpk= 1930, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 655, 656, 657,
&end
#
# 18 VAL HN 18 VAL QG2 3.95 (#peak 1935 )
&rst
ixpk= 1935, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 17 GLN HA 18 VAL QG2 6.53 (#peak 1936 )
&rst
ixpk= 1936, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 18 VAL HA 18 VAL QG2 3.83 (#peak 1937 )
&rst
ixpk= 1937, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 11 THR HB 18 VAL QG2 5.35 (#peak 1938 )
&rst
ixpk= 1938, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 9 GLU QG 18 VAL QG2 6.07 (#peak 1940 )
&rst
ixpk= 1940, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 127, 128,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 11 THR HA 18 VAL QG2 4.48 (#peak 1941 )
&rst
ixpk= 1941, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 9 GLU HB3 18 VAL QG2 5.23 (#peak 1942 )
&rst
ixpk= 1942, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr1= 125, 124,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 18 VAL QG1 19 SER HN 4.45 (#peak 1949 )
&rst
ixpk= 1949, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 265, 266, 267, 269, 270, 271,
&end
#
# 23 MET QE 35 TRP HZ2 6.16 (#peak 1950 )
&rst
ixpk= 1950, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 340, 341, 342,
&end
#
# 18 VAL HN 18 VAL QG1 3.74 (#peak 1952 )
&rst
ixpk= 1952, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 265, 266, 267, 269, 270, 271,
&end
#
# 18 VAL HA 18 VAL QG1 4.02 (#peak 1953 )
&rst
ixpk= 1953, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 265, 266, 267, 269, 270, 271,
&end
#
# 10 PRO HB3 11 THR QG2 6.53 (#peak 1961 )
&rst
ixpk= 1961, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 143, 142,
igr2= 155, 156, 157,
&end
#
# 41 VAL QG2 53 CYSS HB2 6.00 (#peak 1962 )
&rst
ixpk= 1962, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 603, 604, 605, 599, 600, 601,
&end
#
# 41 VAL HN 41 VAL QG2 4.92 (#peak 1964 )
&rst
ixpk= 1964, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 603, 604, 605, 599, 600, 601,
&end
#
# 36 PHE QE 41 VAL QG2 8.65 (#peak 1965 )
&rst
ixpk= 1965, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
igr1= 525, 529,
igr2= 603, 604, 605, 599, 600, 601,
&end
#
# 36 PHE HA 41 VAL QG2 6.34 (#peak 1967 )
&rst
ixpk= 1967, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 603, 604, 605, 599, 600, 601,
&end
#
# 41 VAL HA 41 VAL QG2 3.64 (#peak 1968 )
&rst
ixpk= 1968, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 603, 604, 605, 599, 600, 601,
&end
#
# 36 PHE HB3 41 VAL QG2 4.05 (#peak 1972 )
&rst
ixpk= 1972, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 520, 519,
igr2= 603, 604, 605, 599, 600, 601,
&end
#
# 41 VAL QG2 54 PRO HG2 6.34 (#peak 1974 )
&rst
ixpk= 1974, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.59, r4=10.09,
igr1= 603, 604, 605, 599, 600, 601,
igr2= 811, 812,
&end
#
# 5 VAL HN 5 VAL QQG 6.63 (#peak 1978 )
&rst
ixpk= 1978, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 8.94, r4= 9.44,
igr2= 74, 75, 76, 70, 71, 72,
&end
#
# 33 ILE QD1 36 PHE HZ 4.82 (#peak 1984 )
&rst
ixpk= 1984, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 470, 471, 472,
&end
#
# 33 ILE HA 33 ILE QD1 4.33 (#peak 1986 )
&rst
ixpk= 1986, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 470, 471, 472,
&end
#
# 14 LEU HG 33 ILE QD1 6.16 (#peak 1987 )
&rst
ixpk= 1987, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr2= 470, 471, 472,
&end
#
# 14 LEU HB2 33 ILE QD1 5.13 (#peak 1988 )
&rst
ixpk= 1988, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 199, 200,
igr2= 470, 471, 472,
&end
#
# 33 ILE QG2 33 ILE QD1 5.29 (#peak 1990 )
&rst
ixpk= 1990, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 463, 464, 465,
igr2= 470, 471, 472,
&end
#
# 41 VAL QG1 51 TRP HE1 5.32 (#peak 2008 )
&rst
ixpk= 2008, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 599, 600, 601, 603, 604, 605,
&end
#
# 41 VAL QG1 43 LEU HN 4.67 (#peak 2009 )
&rst
ixpk= 2009, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 599, 600, 601, 603, 604, 605,
&end
#
# 38 PHE QD 41 VAL QG1 8.65 (#peak 2012 )
&rst
ixpk= 2012, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
igr1= 560, 568,
igr2= 599, 600, 601, 603, 604, 605,
&end
#
# 41 VAL QG1 51 TRP HH2 4.57 (#peak 2013 )
&rst
ixpk= 2013, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 599, 600, 601, 603, 604, 605,
&end
#
# 38 PHE HA 41 VAL QG1 4.05 (#peak 2015 )
&rst
ixpk= 2015, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 599, 600, 601, 603, 604, 605,
&end
#
# 36 PHE HB3 41 VAL QG1 4.57 (#peak 2016 )
&rst
ixpk= 2016, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 520, 519,
igr2= 599, 600, 601, 603, 604, 605,
&end
#
# 24 ILE QG2 41 VAL QG1 5.79 (#peak 2020 )
&rst
ixpk= 2020, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.37, r4= 9.87,
igr1= 352, 353, 354,
igr2= 599, 600, 601, 603, 604, 605,
&end
#
# 41 VAL QG1 43 LEU QD1 5.63 (#peak 2021 )
&rst
ixpk= 2021, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.23, r4=10.73,
igr1= 599, 600, 601, 603, 604, 605,
igr2= 625, 626, 627, 629, 630, 631,
&end
#
# 24 ILE QD1 41 VAL QG1 7.56 (#peak 2022 )
&rst
ixpk= 2022, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
igr1= 359, 360, 361,
igr2= 599, 600, 601, 603, 604, 605,
&end
#
# 38 PHE QD 43 LEU QD2 8.65 (#peak 2025 )
&rst
ixpk= 2025, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
igr1= 560, 568,
igr2= 629, 630, 631, 625, 626, 627,
&end
#
# 43 LEU HA 43 LEU QD2 3.52 (#peak 2031 )
&rst
ixpk= 2031, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 629, 630, 631, 625, 626, 627,
&end
#
# 42 GLY HA2 43 LEU QD2 6.53 (#peak 2032 )
&rst
ixpk= 2032, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
igr1= 611, 612,
igr2= 629, 630, 631, 625, 626, 627,
&end
#
# 43 LEU QD2 47 PRO HB3 5.50 (#peak 2034 )
&rst
ixpk= 2034, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 629, 630, 631, 625, 626, 627,
igr2= 693, 692,
&end
#
# 43 LEU QD2 51 TRP HZ2 6.53 (#peak 2037 )
&rst
ixpk= 2037, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 629, 630, 631, 625, 626, 627,
&end
#
# 43 LEU HB2 43 LEU QD1 3.74 (#peak 2053 )
&rst
ixpk= 2053, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 620, 621,
igr2= 625, 626, 627, 629, 630, 631,
&end
#
# 13 CYZ HB2 33 ILE QG2 5.91 (#peak 2061 )
&rst
ixpk= 2061, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr2= 463, 464, 465,
&end
#
# 33 ILE QG2 36 PHE HZ 4.33 (#peak 2066 )
&rst
ixpk= 2066, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 463, 464, 465,
&end
#
# 12 TYR HA 33 ILE QG2 4.98 (#peak 2070 )
&rst
ixpk= 2070, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 463, 464, 465,
&end
#
# 33 ILE QG2 36 PHE HA 6.50 (#peak 2071 )
&rst
ixpk= 2071, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 463, 464, 465,
&end
#
# 33 ILE HA 33 ILE QG2 3.77 (#peak 2072 )
&rst
ixpk= 2072, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 463, 464, 465,
&end
#
# 33 ILE QG2 34 GLU HA 6.53 (#peak 2073 )
&rst
ixpk= 2073, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 463, 464, 465,
&end
#
# 12 TYR HB3 33 ILE QG2 5.13 (#peak 2075 )
&rst
ixpk= 2075, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 168, 167,
igr2= 463, 464, 465,
&end
#
# 14 LEU QD2 33 ILE QG2 7.56 (#peak 2079 )
&rst
ixpk= 2079, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
igr1= 208, 209, 210, 204, 205, 206,
igr2= 463, 464, 465,
&end
#
# 33 ILE QG2 33 ILE HG12 4.02 (#peak 2080 )
&rst
ixpk= 2080, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 463, 464, 465,
igr2= 467, 468,
&end
#
# 13 CYZ HB3 33 ILE QG2 6.53 (#peak 2082 )
&rst
ixpk= 2082, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 463, 464, 465,
&end
#
# 14 LEU HA 33 ILE QG2 6.53 (#peak 2083 )
&rst
ixpk= 2083, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 463, 464, 465,
&end
#
# 33 ILE QG2 35 TRP HB2 6.53 (#peak 2084 )
&rst
ixpk= 2084, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 463, 464, 465,
&end
#
# 24 ILE QD1 47 PRO HB3 6.19 (#peak 2086 )
&rst
ixpk= 2086, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1= 359, 360, 361,
igr2= 693, 692,
&end
#
# 24 ILE QD1 38 PHE QE 7.13 (#peak 2090 )
&rst
ixpk= 2090, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 359, 360, 361,
igr2= 562, 566,
&end
#
# 24 ILE QD1 38 PHE QD 8.65 (#peak 2091 )
&rst
ixpk= 2091, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
igr1= 359, 360, 361,
igr2= 560, 568,
&end
#
# 24 ILE QD1 46 LYS HA 4.48 (#peak 2092 )
&rst
ixpk= 2092, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 359, 360, 361,
&end
#
# 24 ILE QD1 47 PRO HD3 4.14 (#peak 2093 )
&rst
ixpk= 2093, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 359, 360, 361,
igr2= 687, 686,
&end
#
# 24 ILE QD1 47 PRO HD2 3.77 (#peak 2094 )
&rst
ixpk= 2094, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 359, 360, 361,
igr2= 686, 687,
&end
#
# 24 ILE QD1 51 TRP HB2 4.54 (#peak 2097 )
&rst
ixpk= 2097, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 359, 360, 361,
&end
#
# 24 ILE QD1 47 PRO HB2 5.10 (#peak 2098 )
&rst
ixpk= 2098, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 359, 360, 361,
igr2= 692, 693,
&end
#
# 24 ILE QD1 47 PRO HG3 4.20 (#peak 2099 )
&rst
ixpk= 2099, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 359, 360, 361,
igr2= 690, 689,
&end
#
# 24 ILE QD1 46 LYS HG3 5.16 (#peak 2101 )
&rst
ixpk= 2101, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 359, 360, 361,
igr2= 671, 670,
&end
#
# 24 ILE QD1 46 LYS HG2 4.73 (#peak 2102 )
&rst
ixpk= 2102, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 359, 360, 361,
igr2= 670, 671,
&end
#
# 24 ILE QD1 25 GLY HN 4.76 (#peak 2105 )
&rst
ixpk= 2105, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 359, 360, 361,
&end
#
# 24 ILE HA 24 ILE QD1 5.35 (#peak 2107 )
&rst
ixpk= 2107, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 359, 360, 361,
&end
#
# 24 ILE QD1 51 TRP HA 5.81 (#peak 2108 )
&rst
ixpk= 2108, nxpk= 0, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 359, 360, 361,
&end
#
# 24 ILE QG2 36 PHE QD 7.69 (#peak 2114 )
&rst
ixpk= 2114, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.37, r4=10.87,
igr1= 352, 353, 354,
igr2= 523, 531,
&end
#
# 24 ILE QG2 51 TRP HH2 4.98 (#peak 2119 )
&rst
ixpk= 2119, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 352, 353, 354,
&end
#
# 24 ILE QG2 36 PHE HB3 4.42 (#peak 2121 )
&rst
ixpk= 2121, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 352, 353, 354,
igr2= 520, 519,
&end
#
# 24 ILE QG2 24 ILE QD1 6.04 (#peak 2123 )
&rst
ixpk= 2123, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.71, r4= 9.21,
igr1= 352, 353, 354,
igr2= 359, 360, 361,
&end
#
# 24 ILE QG2 43 LEU QD1 5.85 (#peak 2124 )
&rst
ixpk= 2124, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.47, r4= 9.97,
igr1= 352, 353, 354,
igr2= 625, 626, 627, 629, 630, 631,
&end
#
# 23 MET HA 24 ILE QG2 5.01 (#peak 2127 )
&rst
ixpk= 2127, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 352, 353, 354,
&end
#
# 23 MET HB3 24 ILE QG2 6.09 (#peak 2129 )
&rst
ixpk= 2129, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
igr1= 334, 333,
igr2= 352, 353, 354,
&end
#
# 24 ILE QG2 41 VAL QG2 7.40 (#peak 2131 )
&rst
ixpk= 2131, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.98, r4=12.48,
igr1= 352, 353, 354,
igr2= 603, 604, 605, 599, 600, 601,
&end
#
# 24 ILE QG2 24 ILE HG12 3.83 (#peak 2133 )
&rst
ixpk= 2133, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 352, 353, 354,
igr2= 356, 357,
&end
#
# 43 LEU QD1 46 LYS HA 5.50 (#peak 2138 )
&rst
ixpk= 2138, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 625, 626, 627, 629, 630, 631,
&end
#
# 43 LEU QD1 47 PRO HD3 4.17 (#peak 2139 )
&rst
ixpk= 2139, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 625, 626, 627, 629, 630, 631,
igr2= 687, 686,
&end
#
# 41 VAL HB 43 LEU QD1 5.35 (#peak 2140 )
&rst
ixpk= 2140, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 625, 626, 627, 629, 630, 631,
&end
#
# 43 LEU QD1 47 PRO HB3 5.78 (#peak 2141 )
&rst
ixpk= 2141, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1= 625, 626, 627, 629, 630, 631,
igr2= 693, 692,
&end
#
# 43 LEU QD1 47 PRO HB2 6.00 (#peak 2142 )
&rst
ixpk= 2142, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 625, 626, 627, 629, 630, 631,
igr2= 692, 693,
&end
#
# 41 VAL QG2 43 LEU QD1 7.56 (#peak 2147 )
&rst
ixpk= 2147, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.74, r4=14.24,
igr1= 603, 604, 605, 599, 600, 601,
igr2= 625, 626, 627, 629, 630, 631,
&end
#
# 24 ILE QD1 43 LEU QD1 5.63 (#peak 2151 )
&rst
ixpk= 2151, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.11, r4= 9.61,
igr1= 359, 360, 361,
igr2= 625, 626, 627, 629, 630, 631,
&end
#
# 43 LEU HA 43 LEU QD1 5.13 (#peak 2153 )
&rst
ixpk= 2153, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2= 625, 626, 627, 629, 630, 631,
&end
#
# 43 LEU QD1 47 PRO HD2 4.48 (#peak 2154 )
&rst
ixpk= 2154, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 625, 626, 627, 629, 630, 631,
igr2= 686, 687,
&end
#
# 38 PHE HB2 43 LEU QD1 6.53 (#peak 2155 )
&rst
ixpk= 2155, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
igr1= 556, 557,
igr2= 625, 626, 627, 629, 630, 631,
&end
#
# 38 PHE HA 43 LEU QD1 4.48 (#peak 2169 )
&rst
ixpk= 2169, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 625, 626, 627, 629, 630, 631,
&end
#
# 14 LEU QD1 15 CYSS HB3 6.53 (#peak 2182 )
&rst
ixpk= 2182, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 41 VAL QG1 43 LEU HG 4.88 (#peak 2196 )
&rst
ixpk= 2196, nxpk= 0, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 599, 600, 601, 603, 604, 605,
&end
#
# 32 SER HN 33 ILE QG2 6.53 (#peak 2219 )
&rst
ixpk= 2219, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 463, 464, 465,
&end
#
# 42 GLY HN 43 LEU QD2 6.53 (#peak 2244 )
&rst
ixpk= 2244, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 629, 630, 631, 625, 626, 627,
&end
#
# 15 CYSS HN 33 ILE QG2 6.53 (#peak 2245 )
&rst
ixpk= 2245, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 463, 464, 465,
&end
#
# 42 GLY HN 43 LEU QD1 6.53 (#peak 2246 )
&rst
ixpk= 2246, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 625, 626, 627, 629, 630, 631,
&end
#
# 23 MET QE 35 TRP HE3 5.23 (#peak 2277 )
&rst
ixpk= 2277, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 340, 341, 342,
&end
#
# 23 MET QE 35 TRP HD1 6.53 (#peak 2279 )
&rst
ixpk= 2279, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 340, 341, 342,
&end
#
# 13 CYZ HN 33 ILE QD1 6.53 (#peak 2280 )
&rst
ixpk= 2280, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 470, 471, 472,
&end
#
# 24 ILE QG2 51 TRP HE1 6.53 (#peak 2296 )
&rst
ixpk= 2296, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 352, 353, 354,
&end
#
# 41 VAL QG2 43 LEU HN 6.53 (#peak 2326 )
&rst
ixpk= 2326, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 603, 604, 605, 599, 600, 601,
&end
#
# 23 MET QE 35 TRP HN 6.53 (#peak 2330 )
&rst
ixpk= 2330, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 340, 341, 342,
&end
#
# 38 PHE QD 45 THR QG2 8.65 (#peak 2335 )
&rst
ixpk= 2335, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
igr1= 560, 568,
igr2= 655, 656, 657,
&end
#
# 43 LEU QD1 51 TRP HH2 6.53 (#peak 2345 )
&rst
ixpk= 2345, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 625, 626, 627, 629, 630, 631,
&end
#
# 23 MET QE 24 ILE HN 5.44 (#peak 2357 )
&rst
ixpk= 2357, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 340, 341, 342,
&end
#
# 33 ILE QG2 37 HIE HN 6.53 (#peak 2360 )
&rst
ixpk= 2360, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 463, 464, 465,
&end
#
# 43 LEU QD1 44 THR HN 6.53 (#peak 2364 )
&rst
ixpk= 2364, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 625, 626, 627, 629, 630, 631,
&end
#
# 39 ALA HN 43 LEU QD1 6.53 (#peak 2365 )
&rst
ixpk= 2365, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 625, 626, 627, 629, 630, 631,
&end
#
# 23 MET QE 36 PHE HN 5.81 (#peak 2366 )
&rst
ixpk= 2366, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 340, 341, 342,
&end
#
# 25 GLY HN 43 LEU QD1 6.53 (#peak 2386 )
&rst
ixpk= 2386, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 625, 626, 627, 629, 630, 631,
&end
#
# 24 ILE QD1 46 LYS HN 6.53 (#peak 2398 )
&rst
ixpk= 2398, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 359, 360, 361,
&end
#
# 43 LEU QD1 46 LYS HN 6.53 (#peak 2399 )
&rst
ixpk= 2399, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 625, 626, 627, 629, 630, 631,
&end
#
# 40 CYSS HN 43 LEU QD1 6.53 (#peak 2401 )
&rst
ixpk= 2401, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 625, 626, 627, 629, 630, 631,
&end
#
# 23 MET HN 23 MET QE 6.53 (#peak 2409 )
&rst
ixpk= 2409, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 340, 341, 342,
&end
#
# 23 MET HG3 23 MET QE 4.23 (#peak 2414 )
&rst
ixpk= 2414, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 337, 336,
igr2= 340, 341, 342,
&end
#
# 23 MET HB2 23 MET QE 6.53 (#peak 2416 )
&rst
ixpk= 2416, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 333, 334,
igr2= 340, 341, 342,
&end
#
# 23 MET HB3 23 MET QE 5.97 (#peak 2417 )
&rst
ixpk= 2417, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr1= 334, 333,
igr2= 340, 341, 342,
&end
#
# 18 VAL QG2 19 SER HN 5.38 (#peak 2445 )
&rst
ixpk= 2445, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 269, 270, 271, 265, 266, 267,
&end
#
# 33 ILE QG2 36 PHE HN 6.53 (#peak 2507 )
&rst
ixpk= 2507, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 463, 464, 465,
&end
#
# 38 PHE HN 41 VAL QG1 6.53 (#peak 2520 )
&rst
ixpk= 2520, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 599, 600, 601, 603, 604, 605,
&end
#
# 14 LEU QD2 54 PRO HB3 6.53 (#peak 2646 )
&rst
ixpk= 2646, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
igr1= 208, 209, 210, 204, 205, 206,
igr2= 815, 814,
&end
#
# 20 TYR HN 23 MET QE 6.53 (#peak 2654 )
&rst
ixpk= 2654, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 340, 341, 342,
&end
#
# 18 VAL QG1 20 TYR QE 8.66 (#peak 2655 )
&rst
ixpk= 2655, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.10, r4=13.60,
igr1= 265, 266, 267, 269, 270, 271,
igr2= 296, 301,
&end
#
# 41 VAL QG1 54 PRO HD3 6.37 (#peak 2661 )
&rst
ixpk= 2661, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14,
igr1= 599, 600, 601, 603, 604, 605,
igr2= 809, 808,
&end
#
# 41 VAL QG1 54 PRO HD2 6.53 (#peak 2662 )
&rst
ixpk= 2662, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
igr1= 599, 600, 601, 603, 604, 605,
igr2= 808, 809,
&end
#
# 23 MET HA 23 MET QE 6.50 (#peak 2689 )
&rst
ixpk= 2689, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 340, 341, 342,
&end
Contact the webmaster for help, if required. Sunday, April 28, 2024 5:21:30 AM GMT (wattos1)