NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
555331 |
2m1r   |
18874 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 14 LEU HN 15 CYSS HA 4.97 (#peak 17 )
&rst
ixpk= 17, nxpk= 0, iat= 195, 216, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 14 LEU HN 36 PHE HA 4.01 (#peak 23 )
&rst
ixpk= 23, nxpk= 0, iat= 195, 515, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 13 CYZ HB3 14 LEU HN 3.95 (#peak 24 )
&rst
ixpk= 24, nxpk= 0, iat= 189, 195, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 13 CYZ HA 14 LEU HN 2.93 (#peak 25 )
&rst
ixpk= 25, nxpk= 0, iat= 186, 195, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 14 LEU HN 15 CYSS HB2 4.29 (#peak 27 )
&rst
ixpk= 27, nxpk= 0, iat= 195, 218, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 13 CYZ HB2 14 LEU HN 3.64 (#peak 28 )
&rst
ixpk= 28, nxpk= 0, iat= 188, 195, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 14 LEU HN 14 LEU HB2 3.45 (#peak 30 )
&rst
ixpk= 30, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 199, 200,
&end
#
# 14 LEU HN 14 LEU HB3 3.11 (#peak 31 )
&rst
ixpk= 31, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 200, 199,
&end
#
# 24 ILE HN 38 PHE HN 4.07 (#peak 35 )
&rst
ixpk= 35, nxpk= 0, iat= 346, 550, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 23 MET HA 24 ILE HN 2.49 (#peak 40 )
&rst
ixpk= 40, nxpk= 0, iat= 331, 346, r1= 1.30, r2= 1.80, r3= 2.49, r4= 2.99, &end
#
# 24 ILE HN 35 TRP HA 4.26 (#peak 41 )
&rst
ixpk= 41, nxpk= 0, iat= 346, 491, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 24 ILE HN 37 HIE HA 3.70 (#peak 42 )
&rst
ixpk= 42, nxpk= 0, iat= 346, 535, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 23 MET HB3 24 ILE HN 2.96 (#peak 46 )
&rst
ixpk= 46, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1= 334, 333,
&end
#
# 23 MET HB2 24 ILE HN 3.17 (#peak 47 )
&rst
ixpk= 47, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 333, 334,
&end
#
# 24 ILE HN 24 ILE HB 3.11 (#peak 48 )
&rst
ixpk= 48, nxpk= 0, iat= 346, 350, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 51 TRP HN 52 PHE HN 4.91 (#peak 61 )
&rst
ixpk= 61, nxpk= 0, iat= 750, 774, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 51 TRP HN 51 TRP HB3 2.93 (#peak 62 )
&rst
ixpk= 62, nxpk= 0, iat= 750, 755, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 51 TRP HN 51 TRP HB2 2.99 (#peak 63 )
&rst
ixpk= 63, nxpk= 0, iat= 750, 754, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 50 LYS QB 51 TRP HN 4.18 (#peak 66 )
&rst
ixpk= 66, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 732, 733,
&end
#
# 37 HIE HN 40 CYSS HN 3.67 (#peak 72 )
&rst
ixpk= 72, nxpk= 0, iat= 533, 580, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 36 PHE HA 37 HIE HN 2.59 (#peak 75 )
&rst
ixpk= 75, nxpk= 0, iat= 515, 533, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09, &end
#
# 37 HIE HN 37 HIE HB3 2.90 (#peak 77 )
&rst
ixpk= 77, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 538, 537,
&end
#
# 13 CYZ HA 37 HIE HN 4.20 (#peak 78 )
&rst
ixpk= 78, nxpk= 0, iat= 186, 533, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 37 HIE HN 37 HIE HB2 3.42 (#peak 79 )
&rst
ixpk= 79, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 537, 538,
&end
#
# 37 HIE HN 40 CYSS HB3 3.48 (#peak 80 )
&rst
ixpk= 80, nxpk= 0, iat= 533, 585, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 36 PHE HB3 37 HIE HN 3.14 (#peak 81 )
&rst
ixpk= 81, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 518, 517,
&end
#
# 36 PHE HB2 37 HIE HN 4.42 (#peak 82 )
&rst
ixpk= 82, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 517, 518,
&end
#
# 34 GLU HN 35 TRP HN 3.64 (#peak 88 )
&rst
ixpk= 88, nxpk= 0, iat= 474, 489, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 33 ILE HA 34 GLU HN 3.48 (#peak 91 )
&rst
ixpk= 91, nxpk= 0, iat= 457, 474, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 34 GLU HN 34 GLU HA 2.49 (#peak 92 )
&rst
ixpk= 92, nxpk= 0, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 2.49, r4= 2.99, &end
#
# 31 CYSS HB3 34 GLU HN 4.32 (#peak 93 )
&rst
ixpk= 93, nxpk= 0, iat= 438, 474, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 33 ILE HB 34 GLU HN 3.11 (#peak 96 )
&rst
ixpk= 96, nxpk= 0, iat= 459, 474, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 24 ILE HN 36 PHE HN 3.14 (#peak 100 )
&rst
ixpk= 100, nxpk= 0, iat= 346, 513, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 36 PHE HN 36 PHE HB2 2.96 (#peak 101 )
&rst
ixpk= 101, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 517, 518,
&end
#
# 35 TRP HB3 36 PHE HN 4.07 (#peak 102 )
&rst
ixpk= 102, nxpk= 0, iat= 494, 513, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 36 PHE HN 37 HIE HN 4.38 (#peak 103 )
&rst
ixpk= 103, nxpk= 0, iat= 513, 533, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 23 MET HA 36 PHE HN 4.69 (#peak 106 )
&rst
ixpk= 106, nxpk= 0, iat= 331, 513, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 35 TRP HA 36 PHE HN 2.52 (#peak 107 )
&rst
ixpk= 107, nxpk= 0, iat= 491, 513, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, &end
#
# 36 PHE HN 36 PHE HB3 3.89 (#peak 109 )
&rst
ixpk= 109, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 518, 517,
&end
#
# 35 TRP HB2 36 PHE HN 4.45 (#peak 110 )
&rst
ixpk= 110, nxpk= 0, iat= 493, 513, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 35 TRP HN 36 PHE HN 4.57 (#peak 112 )
&rst
ixpk= 112, nxpk= 0, iat= 489, 513, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 28 ASP HN 31 CYSS HN 4.60 (#peak 115 )
&rst
ixpk= 115, nxpk= 0, iat= 395, 433, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 28 ASP HN 52 PHE HA 4.26 (#peak 117 )
&rst
ixpk= 117, nxpk= 0, iat= 395, 776, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 27 ASP HA 28 ASP HN 3.42 (#peak 119 )
&rst
ixpk= 119, nxpk= 0, iat= 385, 395, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 26 CYZ HA 28 ASP HN 3.76 (#peak 120 )
&rst
ixpk= 120, nxpk= 0, iat= 374, 395, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 26 CYZ HB3 28 ASP HN 4.23 (#peak 124 )
&rst
ixpk= 124, nxpk= 0, iat= 377, 395, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 28 ASP HN 31 CYSS HB2 4.32 (#peak 126 )
&rst
ixpk= 126, nxpk= 0, iat= 395, 437, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 27 ASP HB3 28 ASP HN 3.83 (#peak 127 )
&rst
ixpk= 127, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 388, 387,
&end
#
# 28 ASP HN 28 ASP HB2 2.74 (#peak 128 )
&rst
ixpk= 128, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2= 399, 400,
&end
#
# 27 ASP HB2 28 ASP HN 3.92 (#peak 129 )
&rst
ixpk= 129, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 387, 388,
&end
#
# 39 ALA HN 40 CYSS HN 2.96 (#peak 131 )
&rst
ixpk= 131, nxpk= 0, iat= 570, 580, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 37 HIE HA 39 ALA HN 4.01 (#peak 133 )
&rst
ixpk= 133, nxpk= 0, iat= 535, 570, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 39 ALA HN 39 ALA HA 2.80 (#peak 134 )
&rst
ixpk= 134, nxpk= 0, iat= 570, 572, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 38 PHE HA 39 ALA HN 3.45 (#peak 135 )
&rst
ixpk= 135, nxpk= 0, iat= 552, 570, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 37 HIE HB2 39 ALA HN 3.98 (#peak 136 )
&rst
ixpk= 136, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 537, 538,
&end
#
# 53 CYSS HN 55 ARG HN 5.50 (#peak 140 )
&rst
ixpk= 140, nxpk= 0, iat= 794, 819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 ASP HN 52 PHE HA 4.14 (#peak 144 )
&rst
ixpk= 144, nxpk= 0, iat= 383, 776, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 53 CYSS HN 56 CYSS HB3 3.61 (#peak 148 )
&rst
ixpk= 148, nxpk= 0, iat= 794, 848, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 27 ASP HN 51 TRP HN 3.58 (#peak 152 )
&rst
ixpk= 152, nxpk= 0, iat= 383, 750, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 27 ASP HN 28 ASP HN 3.02 (#peak 153 )
&rst
ixpk= 153, nxpk= 0, iat= 383, 395, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 26 CYZ HA 27 ASP HN 3.08 (#peak 160 )
&rst
ixpk= 160, nxpk= 0, iat= 374, 383, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 26 CYZ HB3 27 ASP HN 4.91 (#peak 161 )
&rst
ixpk= 161, nxpk= 0, iat= 377, 383, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 27 ASP HN 27 ASP HB2 2.65 (#peak 164 )
&rst
ixpk= 164, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 387, 388,
&end
#
# 28 ASP HA 30 ASP HN 3.55 (#peak 166 )
&rst
ixpk= 166, nxpk= 0, iat= 397, 421, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 30 ASP HN 31 CYSS HB3 4.38 (#peak 172 )
&rst
ixpk= 172, nxpk= 0, iat= 421, 438, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 30 ASP HN 30 ASP HB3 3.02 (#peak 173 )
&rst
ixpk= 173, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 426, 425,
&end
#
# 30 ASP HN 30 ASP HB2 2.90 (#peak 174 )
&rst
ixpk= 174, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 425, 426,
&end
#
# 29 PRO HB2 30 ASP HN 3.92 (#peak 175 )
&rst
ixpk= 175, nxpk= 0, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 414, 415,
&end
#
# 53 CYSS HN 56 CYSS HN 5.50 (#peak 176 )
&rst
ixpk= 176, nxpk= 0, iat= 794, 843, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ARG HA 56 CYSS HN 3.61 (#peak 179 )
&rst
ixpk= 179, nxpk= 0, iat= 821, 843, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 56 CYSS HN 56 CYSS HA 2.86 (#peak 180 )
&rst
ixpk= 180, nxpk= 0, iat= 843, 845, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 56 CYSS HN 57 SER HB3 5.50 (#peak 181 )
&rst
ixpk= 181, nxpk= 0, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 859, 858,
&end
#
# 56 CYSS HN 56 CYSS HB3 3.08 (#peak 183 )
&rst
ixpk= 183, nxpk= 0, iat= 843, 848, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 52 PHE HB3 56 CYSS HN 3.98 (#peak 184 )
&rst
ixpk= 184, nxpk= 0, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 779, 778,
&end
#
# 55 ARG QB 56 CYSS HN 4.33 (#peak 185 )
&rst
ixpk= 185, nxpk= 0, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 823, 824,
&end
#
# 56 CYSS HN 58 GLN HN 3.92 (#peak 189 )
&rst
ixpk= 189, nxpk= 0, iat= 843, 865, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 54 PRO HA 56 CYSS HN 5.13 (#peak 190 )
&rst
ixpk= 190, nxpk= 0, iat= 815, 843, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 18 VAL HA 19 SER HN 2.77 (#peak 193 )
&rst
ixpk= 193, nxpk= 0, iat= 261, 275, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 18 VAL HB 19 SER HN 3.58 (#peak 196 )
&rst
ixpk= 196, nxpk= 0, iat= 263, 275, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 20 TYR HA 21 GLY HN 2.65 (#peak 202 )
&rst
ixpk= 202, nxpk= 0, iat= 288, 307, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 45 THR HB 46 LYS HN 3.45 (#peak 203 )
&rst
ixpk= 203, nxpk= 0, iat= 651, 661, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 21 GLY HN 21 GLY HA1 2.68 (#peak 205 )
&rst
ixpk= 205, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2= 309, 310,
&end
#
# 20 TYR HB2 21 GLY HN 3.48 (#peak 207 )
&rst
ixpk= 207, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 290, 291,
&end
#
# 45 THR HA 46 LYS HN 2.65 (#peak 208 )
&rst
ixpk= 208, nxpk= 0, iat= 649, 661, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 46 LYS HN 46 LYS HB3 3.08 (#peak 212 )
&rst
ixpk= 212, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 666, 665,
&end
#
# 46 LYS HN 46 LYS HB2 3.14 (#peak 213 )
&rst
ixpk= 213, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 665, 666,
&end
#
# 26 CYZ HN 34 GLU HN 4.91 (#peak 217 )
&rst
ixpk= 217, nxpk= 0, iat= 372, 474, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 26 CYZ HN 36 PHE HN 4.79 (#peak 218 )
&rst
ixpk= 218, nxpk= 0, iat= 372, 513, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 26 CYZ HN 27 ASP HN 4.79 (#peak 219 )
&rst
ixpk= 219, nxpk= 0, iat= 372, 383, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 25 GLY HN 26 CYZ HN 3.67 (#peak 220 )
&rst
ixpk= 220, nxpk= 0, iat= 365, 372, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 26 CYZ HN 35 TRP HA 3.55 (#peak 225 )
&rst
ixpk= 225, nxpk= 0, iat= 372, 491, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 25 GLY HA1 26 CYZ HN 2.77 (#peak 232 )
&rst
ixpk= 232, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 367, 368,
&end
#
# 48 ARG HN 48 ARG HB2 3.08 (#peak 236 )
&rst
ixpk= 236, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 701, 702,
&end
#
# 48 ARG HN 48 ARG HB3 3.52 (#peak 239 )
&rst
ixpk= 239, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 702, 701,
&end
#
# 8 ASN HN 9 GLU HN 2.93 (#peak 241 )
&rst
ixpk= 241, nxpk= 0, iat= 106, 120, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 8 ASN HN 8 ASN HB2 3.17 (#peak 244 )
&rst
ixpk= 244, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 110, 111,
&end
#
# 5 VAL HB 6 ASP HN 5.07 (#peak 245 )
&rst
ixpk= 245, nxpk= 0, iat= 68, 80, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 5 VAL HN 6 ASP HN 4.17 (#peak 247 )
&rst
ixpk= 247, nxpk= 0, iat= 64, 80, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 32 SER HN 34 GLU HN 4.23 (#peak 260 )
&rst
ixpk= 260, nxpk= 0, iat= 444, 474, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 53 CYSS HN 57 SER HN 4.76 (#peak 261 )
&rst
ixpk= 261, nxpk= 0, iat= 794, 854, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 56 CYSS HN 57 SER HN 2.71 (#peak 262 )
&rst
ixpk= 262, nxpk= 0, iat= 843, 854, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 57 SER HN 59 GLU HN 4.91 (#peak 263 )
&rst
ixpk= 263, nxpk= 0, iat= 854, 882, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 31 CYSS HN 32 SER HN 4.82 (#peak 264 )
&rst
ixpk= 264, nxpk= 0, iat= 433, 444, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 57 SER HN 58 GLN HN 3.08 (#peak 265 )
&rst
ixpk= 265, nxpk= 0, iat= 854, 865, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 55 ARG HA 57 SER HN 4.29 (#peak 267 )
&rst
ixpk= 267, nxpk= 0, iat= 821, 854, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 54 PRO HA 57 SER HN 4.79 (#peak 268 )
&rst
ixpk= 268, nxpk= 0, iat= 815, 854, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 32 SER HN 32 SER HB2 3.42 (#peak 269 )
&rst
ixpk= 269, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 448, 449,
&end
#
# 31 CYSS HA 32 SER HN 2.65 (#peak 272 )
&rst
ixpk= 272, nxpk= 0, iat= 435, 444, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 57 SER HN 57 SER HB2 3.14 (#peak 273 )
&rst
ixpk= 273, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 858, 859,
&end
#
# 31 CYSS HB3 32 SER HN 4.01 (#peak 274 )
&rst
ixpk= 274, nxpk= 0, iat= 438, 444, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 56 CYSS HB3 57 SER HN 3.52 (#peak 275 )
&rst
ixpk= 275, nxpk= 0, iat= 848, 854, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 56 CYSS HB2 57 SER HN 3.58 (#peak 276 )
&rst
ixpk= 276, nxpk= 0, iat= 847, 854, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 32 SER HB3 33 ILE HN 4.17 (#peak 280 )
&rst
ixpk= 280, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 449, 448,
&end
#
# 31 CYSS HB2 33 ILE HN 4.42 (#peak 281 )
&rst
ixpk= 281, nxpk= 0, iat= 437, 455, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 33 ILE HN 34 GLU HN 2.77 (#peak 282 )
&rst
ixpk= 282, nxpk= 0, iat= 455, 474, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 31 CYSS HA 33 ILE HN 4.07 (#peak 288 )
&rst
ixpk= 288, nxpk= 0, iat= 435, 455, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 32 SER HB2 33 ILE HN 3.89 (#peak 294 )
&rst
ixpk= 294, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 448, 449,
&end
#
# 38 PHE HN 40 CYSS HN 3.98 (#peak 296 )
&rst
ixpk= 296, nxpk= 0, iat= 550, 580, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 37 HIE HB3 38 PHE HN 4.29 (#peak 297 )
&rst
ixpk= 297, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 538, 537,
&end
#
# 38 PHE HN 39 ALA HN 3.30 (#peak 301 )
&rst
ixpk= 301, nxpk= 0, iat= 550, 570, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 23 MET HA 38 PHE HN 3.24 (#peak 304 )
&rst
ixpk= 304, nxpk= 0, iat= 331, 550, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 37 HIE HA 38 PHE HN 2.55 (#peak 305 )
&rst
ixpk= 305, nxpk= 0, iat= 535, 550, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05, &end
#
# 37 HIE HB2 38 PHE HN 4.66 (#peak 307 )
&rst
ixpk= 307, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 537, 538,
&end
#
# 23 MET HN 23 MET HB3 3.55 (#peak 320 )
&rst
ixpk= 320, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 334, 333,
&end
#
# 23 MET HN 23 MET HB2 2.90 (#peak 321 )
&rst
ixpk= 321, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 333, 334,
&end
#
# 22 GLU HB2 23 MET HN 3.05 (#peak 325 )
&rst
ixpk= 325, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr1= 318, 319,
&end
#
# 24 ILE HN 25 GLY HN 3.61 (#peak 327 )
&rst
ixpk= 327, nxpk= 0, iat= 346, 365, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 25 GLY HN 35 TRP HA 4.85 (#peak 331 )
&rst
ixpk= 331, nxpk= 0, iat= 365, 491, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 22 GLU HA 23 MET HN 2.40 (#peak 334 )
&rst
ixpk= 334, nxpk= 0, iat= 316, 329, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 22 GLU HB3 23 MET HN 3.76 (#peak 337 )
&rst
ixpk= 337, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 319, 318,
&end
#
# 12 TYR HN 16 HIS HA 4.63 (#peak 340 )
&rst
ixpk= 340, nxpk= 0, iat= 163, 227, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 11 THR HN 12 TYR HN 4.60 (#peak 344 )
&rst
ixpk= 344, nxpk= 0, iat= 149, 163, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 11 THR HA 12 TYR HN 2.43 (#peak 350 )
&rst
ixpk= 350, nxpk= 0, iat= 151, 163, r1= 1.30, r2= 1.80, r3= 2.43, r4= 2.93, &end
#
# 11 THR HB 12 TYR HN 2.96 (#peak 351 )
&rst
ixpk= 351, nxpk= 0, iat= 153, 163, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 12 TYR HN 12 TYR HB3 3.92 (#peak 352 )
&rst
ixpk= 352, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 168, 167,
&end
#
# 21 GLY HN 22 GLU HN 4.14 (#peak 355 )
&rst
ixpk= 355, nxpk= 0, iat= 307, 314, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 21 GLY HA2 22 GLU HN 3.11 (#peak 358 )
&rst
ixpk= 358, nxpk= 0, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 309, 310,
&end
#
# 21 GLY HA1 22 GLU HN 2.68 (#peak 359 )
&rst
ixpk= 359, nxpk= 0, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr1= 309, 310,
&end
#
# 22 GLU HN 22 GLU HB3 2.77 (#peak 362 )
&rst
ixpk= 362, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2= 319, 318,
&end
#
# 22 GLU HN 22 GLU HB2 3.36 (#peak 363 )
&rst
ixpk= 363, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 318, 319,
&end
#
# 17 GLN HA 18 VAL HN 3.02 (#peak 371 )
&rst
ixpk= 371, nxpk= 0, iat= 244, 259, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 11 THR HA 18 VAL HN 4.04 (#peak 373 )
&rst
ixpk= 373, nxpk= 0, iat= 151, 259, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 50 LYS HN 51 TRP HN 3.70 (#peak 380 )
&rst
ixpk= 380, nxpk= 0, iat= 728, 750, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 55 ARG HN 57 SER HN 3.64 (#peak 385 )
&rst
ixpk= 385, nxpk= 0, iat= 819, 854, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 55 ARG HN 56 CYSS HB3 4.60 (#peak 386 )
&rst
ixpk= 386, nxpk= 0, iat= 819, 848, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 55 ARG HN 56 CYSS HN 2.96 (#peak 387 )
&rst
ixpk= 387, nxpk= 0, iat= 819, 843, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 55 ARG HN 55 ARG HA 2.86 (#peak 388 )
&rst
ixpk= 388, nxpk= 0, iat= 819, 821, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 53 CYSS HA 55 ARG HN 4.14 (#peak 390 )
&rst
ixpk= 390, nxpk= 0, iat= 796, 819, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 53 CYSS HB3 55 ARG HN 4.60 (#peak 395 )
&rst
ixpk= 395, nxpk= 0, iat= 799, 819, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 55 ARG HN 55 ARG QB 3.87 (#peak 397 )
&rst
ixpk= 397, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 823, 824,
&end
#
# 54 PRO HB3 55 ARG HN 4.29 (#peak 398 )
&rst
ixpk= 398, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 813, 812,
&end
#
# 48 ARG HA 49 GLY HN 2.93 (#peak 406 )
&rst
ixpk= 406, nxpk= 0, iat= 699, 721, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 48 ARG HB3 49 GLY HN 3.67 (#peak 408 )
&rst
ixpk= 408, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 702, 701,
&end
#
# 48 ARG HB2 49 GLY HN 3.64 (#peak 409 )
&rst
ixpk= 409, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 701, 702,
&end
#
# 12 TYR HN 17 GLN HN 3.17 (#peak 410 )
&rst
ixpk= 410, nxpk= 0, iat= 163, 242, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 17 GLN HN 18 VAL HN 3.73 (#peak 411 )
&rst
ixpk= 411, nxpk= 0, iat= 242, 259, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 17 GLN HN 17 GLN HA 2.80 (#peak 415 )
&rst
ixpk= 415, nxpk= 0, iat= 242, 244, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 13 CYZ HB3 17 GLN HN 3.82 (#peak 416 )
&rst
ixpk= 416, nxpk= 0, iat= 189, 242, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 16 HIS HA 17 GLN HN 2.71 (#peak 417 )
&rst
ixpk= 417, nxpk= 0, iat= 227, 242, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 11 THR HA 17 GLN HN 3.95 (#peak 418 )
&rst
ixpk= 418, nxpk= 0, iat= 151, 242, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 16 HIS HB2 17 GLN HN 5.34 (#peak 420 )
&rst
ixpk= 420, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 229, 230,
&end
#
# 15 CYSS HB3 17 GLN HN 5.50 (#peak 421 )
&rst
ixpk= 421, nxpk= 0, iat= 219, 242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 GLN HN 17 GLN QB 4.02 (#peak 424 )
&rst
ixpk= 424, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 246, 247,
&end
#
# 34 GLU HB2 35 TRP HN 4.76 (#peak 427 )
&rst
ixpk= 427, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 478, 479,
&end
#
# 13 CYZ HN 35 TRP HN 5.50 (#peak 428 )
&rst
ixpk= 428, nxpk= 0, iat= 184, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE HA 35 TRP HN 4.91 (#peak 433 )
&rst
ixpk= 433, nxpk= 0, iat= 457, 489, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 34 GLU HB3 35 TRP HN 4.35 (#peak 440 )
&rst
ixpk= 440, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 479, 478,
&end
#
# 61 LYS HA 62 LYS HN 3.02 (#peak 446 )
&rst
ixpk= 446, nxpk= 0, iat= 923, 943, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 62 LYS HN 62 LYS HB3 3.55 (#peak 447 )
&rst
ixpk= 447, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 948, 947,
&end
#
# 59 GLU HN 59 GLU HA 2.62 (#peak 450 )
&rst
ixpk= 450, nxpk= 0, iat= 882, 884, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 56 CYSS HA 59 GLU HN 4.38 (#peak 451 )
&rst
ixpk= 451, nxpk= 0, iat= 845, 882, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 60 ARG HN 61 LYS HN 3.67 (#peak 473 )
&rst
ixpk= 473, nxpk= 0, iat= 897, 921, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 59 GLU HB3 60 ARG HN 3.48 (#peak 477 )
&rst
ixpk= 477, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 887, 886,
&end
#
# 59 GLU HB2 60 ARG HN 3.52 (#peak 478 )
&rst
ixpk= 478, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 886, 887,
&end
#
# 60 ARG HN 60 ARG HB2 2.93 (#peak 479 )
&rst
ixpk= 479, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 901, 902,
&end
#
# 39 ALA HN 43 LEU HN 4.94 (#peak 481 )
&rst
ixpk= 481, nxpk= 0, iat= 570, 614, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 41 VAL HN 43 LEU HN 3.45 (#peak 483 )
&rst
ixpk= 483, nxpk= 0, iat= 591, 614, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 39 ALA HA 43 LEU HN 3.11 (#peak 485 )
&rst
ixpk= 485, nxpk= 0, iat= 572, 614, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 38 PHE HA 43 LEU HN 3.48 (#peak 486 )
&rst
ixpk= 486, nxpk= 0, iat= 552, 614, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 43 LEU HN 43 LEU HB2 3.33 (#peak 490 )
&rst
ixpk= 490, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 618, 619,
&end
#
# 43 LEU HN 43 LEU HB3 2.96 (#peak 493 )
&rst
ixpk= 493, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 619, 618,
&end
#
# 7 PRO HA 9 GLU HN 4.17 (#peak 499 )
&rst
ixpk= 499, nxpk= 0, iat= 102, 120, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 9 GLU HN 9 GLU HB2 2.68 (#peak 503 )
&rst
ixpk= 503, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2= 124, 125,
&end
#
# 62 LYS HN 63 LYS HN 3.79 (#peak 509 )
&rst
ixpk= 509, nxpk= 0, iat= 943, 965, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 62 LYS HA 63 LYS HN 2.77 (#peak 510 )
&rst
ixpk= 510, nxpk= 0, iat= 945, 965, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 63 LYS HN 63 LYS HB2 3.14 (#peak 512 )
&rst
ixpk= 512, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 969, 970,
&end
#
# 62 LYS HB3 63 LYS HN 4.82 (#peak 514 )
&rst
ixpk= 514, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 948, 947,
&end
#
# 30 ASP HN 31 CYSS HN 2.49 (#peak 516 )
&rst
ixpk= 516, nxpk= 0, iat= 421, 433, r1= 1.30, r2= 1.80, r3= 2.49, r4= 2.99, &end
#
# 30 ASP HA 31 CYSS HN 3.55 (#peak 518 )
&rst
ixpk= 518, nxpk= 0, iat= 423, 433, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 29 PRO HA 31 CYSS HN 3.58 (#peak 519 )
&rst
ixpk= 519, nxpk= 0, iat= 417, 433, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 28 ASP HB3 31 CYSS HN 3.24 (#peak 520 )
&rst
ixpk= 520, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 400, 399,
&end
#
# 31 CYSS HN 31 CYSS HB3 2.62 (#peak 523 )
&rst
ixpk= 523, nxpk= 0, iat= 433, 438, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 28 ASP HB2 31 CYSS HN 4.23 (#peak 525 )
&rst
ixpk= 525, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 399, 400,
&end
#
# 30 ASP HB2 31 CYSS HN 4.63 (#peak 526 )
&rst
ixpk= 526, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 425, 426,
&end
#
# 31 CYSS HN 34 GLU HN 5.50 (#peak 527 )
&rst
ixpk= 527, nxpk= 0, iat= 433, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ARG HA 61 LYS HN 3.14 (#peak 529 )
&rst
ixpk= 529, nxpk= 0, iat= 899, 921, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 61 LYS HN 61 LYS HB2 2.96 (#peak 530 )
&rst
ixpk= 530, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 925, 926,
&end
#
# 60 ARG HB2 61 LYS HN 5.50 (#peak 531 )
&rst
ixpk= 531, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 901, 902,
&end
#
# 61 LYS HN 61 LYS HB3 3.58 (#peak 535 )
&rst
ixpk= 535, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 926, 925,
&end
#
# 12 TYR HN 16 HIS HN 3.98 (#peak 558 )
&rst
ixpk= 558, nxpk= 0, iat= 163, 225, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 16 HIS HN 17 GLN HN 2.80 (#peak 559 )
&rst
ixpk= 559, nxpk= 0, iat= 225, 242, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 13 CYZ HB3 16 HIS HN 3.72 (#peak 562 )
&rst
ixpk= 562, nxpk= 0, iat= 189, 225, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 15 CYSS HA 16 HIS HN 3.36 (#peak 563 )
&rst
ixpk= 563, nxpk= 0, iat= 216, 225, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 16 HIS HN 16 HIS HA 2.62 (#peak 564 )
&rst
ixpk= 564, nxpk= 0, iat= 225, 227, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 14 LEU HA 16 HIS HN 3.76 (#peak 565 )
&rst
ixpk= 565, nxpk= 0, iat= 197, 225, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 16 HIS HN 16 HIS HB2 3.30 (#peak 567 )
&rst
ixpk= 567, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 229, 230,
&end
#
# 14 LEU HN 15 CYSS HN 2.59 (#peak 574 )
&rst
ixpk= 574, nxpk= 0, iat= 195, 214, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09, &end
#
# 15 CYSS HN 17 GLN HN 3.83 (#peak 575 )
&rst
ixpk= 575, nxpk= 0, iat= 214, 242, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 13 CYZ HN 15 CYSS HN 4.82 (#peak 576 )
&rst
ixpk= 576, nxpk= 0, iat= 184, 214, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 13 CYZ HB3 15 CYSS HN 3.02 (#peak 578 )
&rst
ixpk= 578, nxpk= 0, iat= 189, 214, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 15 CYSS HN 16 HIS HA 4.17 (#peak 580 )
&rst
ixpk= 580, nxpk= 0, iat= 214, 227, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 13 CYZ HA 15 CYSS HN 3.67 (#peak 582 )
&rst
ixpk= 582, 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 584 )
&rst
ixpk= 584, nxpk= 0, iat= 214, 218, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 13 CYZ HB2 15 CYSS HN 4.01 (#peak 585 )
&rst
ixpk= 585, nxpk= 0, iat= 188, 214, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 14 LEU HB2 15 CYSS HN 4.51 (#peak 587 )
&rst
ixpk= 587, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 199, 200,
&end
#
# 14 LEU HB3 15 CYSS HN 3.45 (#peak 588 )
&rst
ixpk= 588, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 200, 199,
&end
#
# 42 GLY HN 43 LEU HN 2.90 (#peak 590 )
&rst
ixpk= 590, nxpk= 0, iat= 607, 614, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 41 VAL HN 42 GLY HN 2.62 (#peak 591 )
&rst
ixpk= 591, nxpk= 0, iat= 591, 607, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 41 VAL HA 42 GLY HN 3.17 (#peak 592 )
&rst
ixpk= 592, nxpk= 0, iat= 593, 607, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 40 CYSS HA 42 GLY HN 4.85 (#peak 593 )
&rst
ixpk= 593, nxpk= 0, iat= 582, 607, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 42 GLY HN 42 GLY HA2 2.77 (#peak 594 )
&rst
ixpk= 594, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2= 609, 610,
&end
#
# 42 GLY HN 42 GLY HA1 2.62 (#peak 595 )
&rst
ixpk= 595, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
igr2= 609, 610,
&end
#
# 41 VAL HB 42 GLY HN 4.35 (#peak 599 )
&rst
ixpk= 599, nxpk= 0, iat= 595, 607, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 10 PRO HA 11 THR HN 2.93 (#peak 604 )
&rst
ixpk= 604, nxpk= 0, iat= 145, 149, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 45 THR HN 45 THR HB 3.86 (#peak 618 )
&rst
ixpk= 618, nxpk= 0, iat= 647, 651, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 37 HIE HA 40 CYSS HN 4.17 (#peak 660 )
&rst
ixpk= 660, nxpk= 0, iat= 535, 580, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 41 VAL HN 42 GLY HA1 4.97 (#peak 673 )
&rst
ixpk= 673, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 609, 610,
&end
#
# 41 VAL HN 41 VAL HB 3.33 (#peak 674 )
&rst
ixpk= 674, nxpk= 0, iat= 591, 595, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 19 SER QB 20 TYR HN 4.70 (#peak 676 )
&rst
ixpk= 676, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 279, 280,
&end
#
# 19 SER HN 20 TYR HN 4.54 (#peak 677 )
&rst
ixpk= 677, nxpk= 0, iat= 275, 286, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 20 TYR HN 21 GLY HN 4.45 (#peak 678 )
&rst
ixpk= 678, nxpk= 0, iat= 286, 307, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 37 HIE HB3 40 CYSS HN 4.94 (#peak 682 )
&rst
ixpk= 682, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 538, 537,
&end
#
# 20 TYR HN 20 TYR HB3 3.61 (#peak 683 )
&rst
ixpk= 683, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 291, 290,
&end
#
# 55 ARG QB 58 GLN HN 5.85 (#peak 688 )
&rst
ixpk= 688, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 823, 824,
&end
#
# 55 ARG HA 58 GLN HN 4.51 (#peak 691 )
&rst
ixpk= 691, nxpk= 0, iat= 821, 865, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 58 GLN HN 58 GLN HA 2.80 (#peak 692 )
&rst
ixpk= 692, nxpk= 0, iat= 865, 867, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 SER HA 58 GLN HN 3.64 (#peak 693 )
&rst
ixpk= 693, nxpk= 0, iat= 856, 865, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 57 SER HB3 58 GLN HN 3.92 (#peak 694 )
&rst
ixpk= 694, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 859, 858,
&end
#
# 57 SER HB2 58 GLN HN 3.64 (#peak 695 )
&rst
ixpk= 695, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 858, 859,
&end
#
# 55 ARG HN 58 GLN HN 5.50 (#peak 698 )
&rst
ixpk= 698, nxpk= 0, iat= 819, 865, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 THR HA 13 CYZ HN 4.48 (#peak 739 )
&rst
ixpk= 739, nxpk= 0, iat= 151, 184, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 13 CYZ HN 36 PHE HA 4.82 (#peak 749 )
&rst
ixpk= 749, nxpk= 0, iat= 184, 515, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 12 TYR HB3 13 CYZ HN 3.30 (#peak 752 )
&rst
ixpk= 752, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 168, 167,
&end
#
# 12 TYR HN 13 CYZ HN 3.48 (#peak 757 )
&rst
ixpk= 757, nxpk= 0, iat= 163, 184, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 52 PHE HN 53 CYSS HN 4.35 (#peak 891 )
&rst
ixpk= 891, nxpk= 0, iat= 774, 794, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 51 TRP HB2 52 PHE HN 4.01 (#peak 900 )
&rst
ixpk= 900, nxpk= 0, iat= 754, 774, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 51 TRP HA 52 PHE HN 2.43 (#peak 904 )
&rst
ixpk= 904, nxpk= 0, iat= 752, 774, r1= 1.30, r2= 1.80, r3= 2.43, r4= 2.93, &end
#
# 52 PHE HN 52 PHE HB3 3.83 (#peak 906 )
&rst
ixpk= 906, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 779, 778,
&end
#
# 23 MET HA 37 HIE HA 3.55 (#peak 1003 )
&rst
ixpk= 1003, nxpk= 0, iat= 331, 535, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 45 THR HA 45 THR HB 3.02 (#peak 1065 )
&rst
ixpk= 1065, nxpk= 0, iat= 649, 651, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 49 GLY HA2 50 LYS HN 3.33 (#peak 1081 )
&rst
ixpk= 1081, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 723, 724,
&end
#
# 28 ASP HN 28 ASP HB3 3.27 (#peak 1089 )
&rst
ixpk= 1089, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 400, 399,
&end
#
# 32 SER HA 32 SER HB2 3.02 (#peak 1109 )
&rst
ixpk= 1109, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 448, 449,
&end
#
# 38 PHE HA 41 VAL HN 4.26 (#peak 1115 )
&rst
ixpk= 1115, nxpk= 0, iat= 552, 591, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 37 HIE HB2 40 CYSS HN 3.76 (#peak 1160 )
&rst
ixpk= 1160, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 537, 538,
&end
#
# 16 HIS HA 16 HIS HB2 2.83 (#peak 1171 )
&rst
ixpk= 1171, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 229, 230,
&end
#
# 28 ASP HN 31 CYSS HB3 4.66 (#peak 1186 )
&rst
ixpk= 1186, nxpk= 0, iat= 395, 438, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 40 CYSS HN 40 CYSS HB3 3.33 (#peak 1191 )
&rst
ixpk= 1191, nxpk= 0, iat= 580, 585, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 40 CYSS HA 40 CYSS HB3 2.90 (#peak 1192 )
&rst
ixpk= 1192, nxpk= 0, iat= 582, 585, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 15 CYSS HN 15 CYSS HB3 3.11 (#peak 1228 )
&rst
ixpk= 1228, nxpk= 0, iat= 214, 219, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 15 CYSS HA 15 CYSS HB3 2.86 (#peak 1229 )
&rst
ixpk= 1229, nxpk= 0, iat= 216, 219, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 16 HIS HB3 17 GLN HN 4.82 (#peak 1232 )
&rst
ixpk= 1232, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 230, 229,
&end
#
# 37 HIE HN 40 CYSS HB2 4.07 (#peak 1237 )
&rst
ixpk= 1237, nxpk= 0, iat= 533, 584, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 40 CYSS HN 40 CYSS HB2 3.33 (#peak 1238 )
&rst
ixpk= 1238, nxpk= 0, iat= 580, 584, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 40 CYSS HB2 41 VAL HA 5.50 (#peak 1239 )
&rst
ixpk= 1239, nxpk= 0, iat= 584, 593, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 CYSS HA 40 CYSS HB2 2.68 (#peak 1240 )
&rst
ixpk= 1240, nxpk= 0, iat= 582, 584, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 26 CYZ HN 26 CYZ HB3 2.86 (#peak 1254 )
&rst
ixpk= 1254, nxpk= 0, iat= 372, 377, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 20 TYR HB3 21 GLY HN 4.60 (#peak 1277 )
&rst
ixpk= 1277, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 291, 290,
&end
#
# 51 TRP HB3 52 PHE HN 4.17 (#peak 1284 )
&rst
ixpk= 1284, nxpk= 0, iat= 755, 774, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 51 TRP HA 51 TRP HB3 2.86 (#peak 1288 )
&rst
ixpk= 1288, nxpk= 0, iat= 752, 755, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 12 TYR HB3 13 CYZ HA 5.04 (#peak 1303 )
&rst
ixpk= 1303, nxpk= 0, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 168, 167,
&end
#
# 12 TYR HA 12 TYR HB3 2.80 (#peak 1305 )
&rst
ixpk= 1305, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 168, 167,
&end
#
# 38 PHE HA 38 PHE HB2 2.93 (#peak 1306 )
&rst
ixpk= 1306, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 554, 555,
&end
#
# 26 CYZ HN 26 CYZ HB2 2.99 (#peak 1314 )
&rst
ixpk= 1314, nxpk= 0, iat= 372, 376, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 26 CYZ HA 26 CYZ HB2 2.96 (#peak 1318 )
&rst
ixpk= 1318, nxpk= 0, iat= 374, 376, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 20 TYR HN 20 TYR HB2 4.11 (#peak 1340 )
&rst
ixpk= 1340, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 290, 291,
&end
#
# 31 CYSS HN 31 CYSS HB2 3.48 (#peak 1356 )
&rst
ixpk= 1356, nxpk= 0, iat= 433, 437, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 31 CYSS HB2 34 GLU HA 3.98 (#peak 1358 )
&rst
ixpk= 1358, nxpk= 0, iat= 437, 476, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 31 CYSS HB2 34 GLU HN 4.17 (#peak 1361 )
&rst
ixpk= 1361, nxpk= 0, iat= 437, 474, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 30 ASP HA 30 ASP HB3 2.77 (#peak 1364 )
&rst
ixpk= 1364, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2= 426, 425,
&end
#
# 41 VAL HA 41 VAL HB 2.62 (#peak 1382 )
&rst
ixpk= 1382, nxpk= 0, iat= 593, 595, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 35 TRP HN 35 TRP HB3 3.76 (#peak 1406 )
&rst
ixpk= 1406, nxpk= 0, iat= 489, 494, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 53 CYSS HN 56 CYSS HB2 3.52 (#peak 1412 )
&rst
ixpk= 1412, nxpk= 0, iat= 794, 847, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 56 CYSS HA 56 CYSS HB2 2.96 (#peak 1413 )
&rst
ixpk= 1413, nxpk= 0, iat= 845, 847, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 25 GLY HN 25 GLY HA1 2.68 (#peak 1424 )
&rst
ixpk= 1424, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2= 367, 368,
&end
#
# 24 ILE HA 25 GLY HA1 5.50 (#peak 1426 )
&rst
ixpk= 1426, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 367, 368,
&end
#
# 6 ASP HN 6 ASP HB2 3.61 (#peak 1430 )
&rst
ixpk= 1430, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 84, 85,
&end
#
# 27 ASP HN 27 ASP HB3 3.42 (#peak 1438 )
&rst
ixpk= 1438, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 388, 387,
&end
#
# 27 ASP HA 27 ASP HB3 2.74 (#peak 1439 )
&rst
ixpk= 1439, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2= 388, 387,
&end
#
# 28 ASP HA 28 ASP HB2 2.90 (#peak 1461 )
&rst
ixpk= 1461, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 399, 400,
&end
#
# 52 PHE HB3 53 CYSS HN 3.14 (#peak 1464 )
&rst
ixpk= 1464, nxpk= 0, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 779, 778,
&end
#
# 52 PHE HA 52 PHE HB3 2.93 (#peak 1468 )
&rst
ixpk= 1468, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 779, 778,
&end
#
# 30 ASP HA 30 ASP HB2 2.93 (#peak 1482 )
&rst
ixpk= 1482, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 425, 426,
&end
#
# 13 CYZ HN 13 CYZ HB2 3.30 (#peak 1491 )
&rst
ixpk= 1491, nxpk= 0, iat= 184, 188, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 17 GLN QB 18 VAL HN 4.39 (#peak 1500 )
&rst
ixpk= 1500, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 246, 247,
&end
#
# 53 CYSS HA 53 CYSS HB3 2.71 (#peak 1523 )
&rst
ixpk= 1523, nxpk= 0, iat= 796, 799, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 53 CYSS HN 53 CYSS HB3 3.02 (#peak 1527 )
&rst
ixpk= 1527, nxpk= 0, iat= 794, 799, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 52 PHE HN 52 PHE HB2 3.02 (#peak 1529 )
&rst
ixpk= 1529, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 778, 779,
&end
#
# 52 PHE HA 52 PHE HB2 2.93 (#peak 1531 )
&rst
ixpk= 1531, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 778, 779,
&end
#
# 58 GLN HB3 59 GLU HN 3.89 (#peak 1560 )
&rst
ixpk= 1560, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 870, 869,
&end
#
# 58 GLN HN 58 GLN HB2 3.02 (#peak 1563 )
&rst
ixpk= 1563, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 869, 870,
&end
#
# 59 GLU HN 59 GLU HB3 3.11 (#peak 1583 )
&rst
ixpk= 1583, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 887, 886,
&end
#
# 9 GLU HN 9 GLU HB3 3.05 (#peak 1584 )
&rst
ixpk= 1584, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 125, 124,
&end
#
# 9 GLU HA 9 GLU HB3 2.90 (#peak 1586 )
&rst
ixpk= 1586, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 125, 124,
&end
#
# 12 TYR HB2 13 CYZ HN 3.21 (#peak 1588 )
&rst
ixpk= 1588, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 167, 168,
&end
#
# 12 TYR HA 12 TYR HB2 2.99 (#peak 1590 )
&rst
ixpk= 1590, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 167, 168,
&end
#
# 12 TYR HN 12 TYR HB2 3.52 (#peak 1595 )
&rst
ixpk= 1595, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 167, 168,
&end
#
# 5 VAL HN 5 VAL HB 3.11 (#peak 1596 )
&rst
ixpk= 1596, nxpk= 0, iat= 64, 68, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 14 LEU HA 14 LEU HB2 2.68 (#peak 1604 )
&rst
ixpk= 1604, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2= 199, 200,
&end
#
# 9 GLU HA 9 GLU HB2 2.65 (#peak 1607 )
&rst
ixpk= 1607, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 124, 125,
&end
#
# 53 CYSS HN 53 CYSS HB2 3.48 (#peak 1612 )
&rst
ixpk= 1612, nxpk= 0, iat= 794, 798, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 59 GLU HN 59 GLU HB2 2.99 (#peak 1616 )
&rst
ixpk= 1616, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 886, 887,
&end
#
# 3 MET HN 3 MET HB2 3.86 (#peak 1618 )
&rst
ixpk= 1618, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 37, 38,
&end
#
# 53 CYSS HA 53 CYSS HB2 2.80 (#peak 1621 )
&rst
ixpk= 1621, nxpk= 0, iat= 796, 798, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 34 GLU HN 34 GLU HB3 3.64 (#peak 1631 )
&rst
ixpk= 1631, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 479, 478,
&end
#
# 27 ASP HA 27 ASP HB2 2.90 (#peak 1654 )
&rst
ixpk= 1654, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 387, 388,
&end
#
# 26 CYZ HA 27 ASP HB2 4.97 (#peak 1659 )
&rst
ixpk= 1659, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 387, 388,
&end
#
# 63 LYS HN 63 LYS HB3 3.79 (#peak 1666 )
&rst
ixpk= 1666, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 970, 969,
&end
#
# 33 ILE HN 33 ILE HB 2.74 (#peak 1673 )
&rst
ixpk= 1673, nxpk= 0, iat= 455, 459, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 23 MET HA 23 MET HB3 2.96 (#peak 1696 )
&rst
ixpk= 1696, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 334, 333,
&end
#
# 23 MET HA 23 MET HB2 3.05 (#peak 1741 )
&rst
ixpk= 1741, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 333, 334,
&end
#
# 10 PRO HB2 11 THR HN 4.17 (#peak 1749 )
&rst
ixpk= 1749, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 142, 143,
&end
#
# 60 ARG HA 60 ARG HB2 2.96 (#peak 1758 )
&rst
ixpk= 1758, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 901, 902,
&end
#
# 24 ILE HB 25 GLY HN 3.33 (#peak 1791 )
&rst
ixpk= 1791, nxpk= 0, iat= 350, 365, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 43 LEU HA 43 LEU HB3 2.90 (#peak 1944 )
&rst
ixpk= 1944, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 619, 618,
&end
#
# 22 GLU HA 22 GLU HB2 2.65 (#peak 1954 )
&rst
ixpk= 1954, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 318, 319,
&end
#
# 62 LYS HA 62 LYS HB3 2.93 (#peak 2045 )
&rst
ixpk= 2045, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 948, 947,
&end
#
# 48 ARG HA 48 ARG HB3 3.05 (#peak 2046 )
&rst
ixpk= 2046, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 702, 701,
&end
#
# 50 LYS HA 51 TRP HN 2.40 (#peak 2049 )
&rst
ixpk= 2049, nxpk= 0, iat= 730, 750, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 56 CYSS HN 56 CYSS HB2 3.42 (#peak 2056 )
&rst
ixpk= 2056, nxpk= 0, iat= 843, 847, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 55 ARG QB 57 SER HN 6.38 (#peak 2058 )
&rst
ixpk= 2058, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 823, 824,
&end
#
# 18 VAL HN 19 SER HN 5.50 (#peak 2064 )
&rst
ixpk= 2064, nxpk= 0, iat= 259, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 LYS HN 62 LYS HB2 3.67 (#peak 2066 )
&rst
ixpk= 2066, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 947, 948,
&end
#
# 60 ARG HN 60 ARG HB3 3.76 (#peak 2067 )
&rst
ixpk= 2067, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 902, 901,
&end
#
# 39 ALA HA 42 GLY HN 3.64 (#peak 2076 )
&rst
ixpk= 2076, nxpk= 0, iat= 572, 607, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 43 LEU HB3 45 THR HN 4.38 (#peak 2079 )
&rst
ixpk= 2079, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 619, 618,
&end
#
# 19 SER HA 20 TYR HN 2.90 (#peak 2084 )
&rst
ixpk= 2084, nxpk= 0, iat= 277, 286, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 39 ALA HN 40 CYSS HB3 5.50 (#peak 2112 )
&rst
ixpk= 2112, nxpk= 0, iat= 570, 585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ASN HB3 9 GLU HN 4.79 (#peak 2123 )
&rst
ixpk= 2123, nxpk= 0, iat= -1, 120, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 111, 110,
&end
#
# 15 CYSS HN 16 HIS HN 2.80 (#peak 2127 )
&rst
ixpk= 2127, nxpk= 0, iat= 214, 225, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 15 CYSS HA 17 GLN HN 5.50 (#peak 2128 )
&rst
ixpk= 2128, nxpk= 0, iat= 216, 242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 HIE HN 38 PHE HN 5.50 (#peak 2138 )
&rst
ixpk= 2138, nxpk= 0, iat= 533, 550, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 ALA HN 43 LEU HB2 5.50 (#peak 2140 )
&rst
ixpk= 2140, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 618, 619,
&end
#
# 40 CYSS HB3 41 VAL HN 4.04 (#peak 2145 )
&rst
ixpk= 2145, nxpk= 0, iat= 585, 591, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 38 PHE HA 40 CYSS HN 5.50 (#peak 2146 )
&rst
ixpk= 2146, nxpk= 0, iat= 552, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL HN 42 GLY HA2 5.19 (#peak 2147 )
&rst
ixpk= 2147, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 609, 610,
&end
#
# 40 CYSS HN 43 LEU HN 4.91 (#peak 2150 )
&rst
ixpk= 2150, nxpk= 0, iat= 580, 614, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 42 GLY HN 43 LEU HB2 5.50 (#peak 2151 )
&rst
ixpk= 2151, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 618, 619,
&end
#
# 44 THR HB 45 THR HN 5.41 (#peak 2153 )
&rst
ixpk= 2153, nxpk= 0, iat= 637, 647, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 38 PHE HN 38 PHE HB3 3.17 (#peak 2156 )
&rst
ixpk= 2156, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 555, 554,
&end
#
# 38 PHE HN 38 PHE HB2 2.77 (#peak 2157 )
&rst
ixpk= 2157, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2= 554, 555,
&end
#
# 38 PHE HB3 39 ALA HN 3.61 (#peak 2158 )
&rst
ixpk= 2158, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 555, 554,
&end
#
# 38 PHE HB2 39 ALA HN 3.45 (#peak 2159 )
&rst
ixpk= 2159, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 554, 555,
&end
#
# 49 GLY HA1 50 LYS HN 3.58 (#peak 2161 )
&rst
ixpk= 2161, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 723, 724,
&end
#
# 52 PHE HA 53 CYSS HN 3.45 (#peak 2166 )
&rst
ixpk= 2166, nxpk= 0, iat= 776, 794, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 55 ARG HN 56 CYSS HA 4.94 (#peak 2169 )
&rst
ixpk= 2169, nxpk= 0, iat= 819, 845, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 58 GLN HN 58 GLN HB3 3.64 (#peak 2171 )
&rst
ixpk= 2171, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 870, 869,
&end
#
# 58 GLN HN 59 GLU HN 4.38 (#peak 2172 )
&rst
ixpk= 2172, nxpk= 0, iat= 865, 882, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 11 THR HN 11 THR HB 3.73 (#peak 2192 )
&rst
ixpk= 2192, nxpk= 0, iat= 149, 153, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 13 CYZ HN 13 CYZ HA 2.80 (#peak 2196 )
&rst
ixpk= 2196, nxpk= 0, iat= 184, 186, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 SER HN 32 SER HB3 3.73 (#peak 2220 )
&rst
ixpk= 2220, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 449, 448,
&end
#
# 34 GLU HA 34 GLU HB3 2.96 (#peak 2232 )
&rst
ixpk= 2232, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 479, 478,
&end
#
# 57 SER HN 57 SER HB3 3.14 (#peak 2259 )
&rst
ixpk= 2259, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 859, 858,
&end
#
# 32 SER HA 34 GLU HN 5.50 (#peak 2334 )
&rst
ixpk= 2334, nxpk= 0, iat= 446, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 ASP HA 51 TRP HN 5.07 (#peak 2338 )
&rst
ixpk= 2338, nxpk= 0, iat= 385, 750, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 60 ARG HN 61 LYS HA 5.50 (#peak 2378 )
&rst
ixpk= 2378, nxpk= 0, iat= 897, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 LYS HN 62 LYS HN 3.98 (#peak 2380 )
&rst
ixpk= 2380, nxpk= 0, iat= 921, 943, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 58 GLN HB2 59 GLU HN 4.17 (#peak 2478 )
&rst
ixpk= 2478, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 869, 870,
&end
#
# 39 ALA HN 42 GLY HN 4.72 (#peak 2498 )
&rst
ixpk= 2498, nxpk= 0, iat= 570, 607, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 26 CYZ HB2 28 ASP HN 5.07 (#peak 2505 )
&rst
ixpk= 2505, nxpk= 0, iat= 376, 395, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 37 HIE HB3 39 ALA HN 3.67 (#peak 2508 )
&rst
ixpk= 2508, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 538, 537,
&end
#
# 53 CYSS HA 54 PRO HB2 4.94 (#peak 2521 )
&rst
ixpk= 2521, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 812, 813,
&end
#
# 25 GLY HA1 35 TRP HA 4.17 (#peak 2523 )
&rst
ixpk= 2523, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 367, 368,
&end
#
# 26 CYZ HN 34 GLU HA 4.32 (#peak 2563 )
&rst
ixpk= 2563, nxpk= 0, iat= 372, 476, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 12 TYR QE 35 TRP HE1 7.63 (#peak 1 )
&rst
ixpk= 1, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr1= 173, 178,
&end
#
# 13 CYZ HB2 35 TRP HE1 5.50 (#peak 2 )
&rst
ixpk= 2, nxpk= 0, iat= 188, 499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TRP HE1 53 CYSS HA 5.50 (#peak 7 )
&rst
ixpk= 7, nxpk= 0, iat= 760, 796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL HB 51 TRP HE1 4.51 (#peak 8 )
&rst
ixpk= 8, nxpk= 0, iat= 595, 760, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 47 PRO HG3 51 TRP HE1 5.50 (#peak 10 )
&rst
ixpk= 10, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 688, 687,
&end
#
# 43 LEU HG 51 TRP HE1 4.51 (#peak 11 )
&rst
ixpk= 11, nxpk= 0, iat= 621, 760, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 14 LEU HN 36 PHE QD 5.98 (#peak 20 )
&rst
ixpk= 20, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2= 521, 529,
&end
#
# 14 LEU HN 36 PHE QE 7.19 (#peak 22 )
&rst
ixpk= 22, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr2= 523, 527,
&end
#
# 14 LEU HN 40 CYSS HB2 5.50 (#peak 26 )
&rst
ixpk= 26, nxpk= 0, iat= 195, 584, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 LEU HN 14 LEU HG 2.77 (#peak 29 )
&rst
ixpk= 29, nxpk= 0, iat= 195, 202, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 24 ILE HN 35 TRP HE3 4.45 (#peak 38 )
&rst
ixpk= 38, nxpk= 0, iat= 346, 508, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 24 ILE HN 35 TRP HZ3 4.48 (#peak 39 )
&rst
ixpk= 39, nxpk= 0, iat= 346, 506, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 24 ILE HN 36 PHE HB2 4.79 (#peak 43 )
&rst
ixpk= 43, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 517, 518,
&end
#
# 23 MET HG3 24 ILE HN 5.47 (#peak 44 )
&rst
ixpk= 44, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 337, 336,
&end
#
# 24 ILE HN 24 ILE HG13 5.50 (#peak 49 )
&rst
ixpk= 49, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 357, 356,
&end
#
# 24 ILE HN 24 ILE HG12 5.50 (#peak 52 )
&rst
ixpk= 52, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 356, 357,
&end
#
# 51 TRP HN 51 TRP HE3 4.94 (#peak 60 )
&rst
ixpk= 60, nxpk= 0, iat= 750, 769, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 27 ASP HB2 51 TRP HN 3.36 (#peak 65 )
&rst
ixpk= 65, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 387, 388,
&end
#
# 50 LYS QG 51 TRP HN 4.30 (#peak 67 )
&rst
ixpk= 67, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 735, 736,
&end
#
# 36 PHE QD 37 HIE HN 6.91 (#peak 70 )
&rst
ixpk= 70, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 521, 529,
&end
#
# 37 HIE HN 37 HIE HD2 5.50 (#peak 73 )
&rst
ixpk= 73, nxpk= 0, iat= 533, 546, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 CYZ HB3 37 HIE HN 4.57 (#peak 76 )
&rst
ixpk= 76, nxpk= 0, iat= 189, 533, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 34 GLU HN 36 PHE QE 6.85 (#peak 90 )
&rst
ixpk= 90, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr2= 523, 527,
&end
#
# 36 PHE HN 36 PHE QD 5.67 (#peak 104 )
&rst
ixpk= 104, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 521, 529,
&end
#
# 35 TRP HE3 36 PHE HN 4.07 (#peak 105 )
&rst
ixpk= 105, nxpk= 0, iat= 508, 513, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 27 ASP HN 50 LYS HZ2 5.50 (#peak 116 )
&rst
ixpk= 116, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 744, 745, 746,
&end
#
# 28 ASP HN 29 PRO HD2 4.91 (#peak 122 )
&rst
ixpk= 122, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 408, 409,
&end
#
# 36 PHE HZ 53 CYSS HN 5.16 (#peak 141 )
&rst
ixpk= 141, nxpk= 0, iat= 525, 794, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 51 TRP HH2 53 CYSS HN 4.91 (#peak 143 )
&rst
ixpk= 143, nxpk= 0, iat= 765, 794, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 53 CYSS HN 54 PRO HD3 5.50 (#peak 146 )
&rst
ixpk= 146, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 807, 806,
&end
#
# 53 CYSS HN 54 PRO HD2 5.50 (#peak 147 )
&rst
ixpk= 147, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 806, 807,
&end
#
# 36 PHE QE 53 CYSS HN 7.50 (#peak 156 )
&rst
ixpk= 156, nxpk= 0, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1= 523, 527,
&end
#
# 51 TRP HZ2 53 CYSS HN 5.50 (#peak 158 )
&rst
ixpk= 158, nxpk= 0, iat= 763, 794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 PRO HD3 30 ASP HN 3.79 (#peak 169 )
&rst
ixpk= 169, nxpk= 0, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 409, 408,
&end
#
# 29 PRO HD2 30 ASP HN 3.48 (#peak 170 )
&rst
ixpk= 170, nxpk= 0, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 408, 409,
&end
#
# 55 ARG QD 56 CYSS HN 6.38 (#peak 182 )
&rst
ixpk= 182, nxpk= 0, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 829, 830,
&end
#
# 55 ARG HG3 56 CYSS HN 4.85 (#peak 186 )
&rst
ixpk= 186, nxpk= 0, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 827, 826,
&end
#
# 55 ARG HG2 56 CYSS HN 5.50 (#peak 187 )
&rst
ixpk= 187, nxpk= 0, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 826, 827,
&end
#
# 20 TYR QD 21 GLY HN 7.52 (#peak 201 )
&rst
ixpk= 201, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 8.44, r4= 8.94,
igr1= 294, 303,
&end
#
# 46 LYS HN 47 PRO HD3 5.50 (#peak 210 )
&rst
ixpk= 210, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 685, 684,
&end
#
# 46 LYS HN 47 PRO HD2 5.50 (#peak 211 )
&rst
ixpk= 211, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 684, 685,
&end
#
# 46 LYS HN 46 LYS HG3 5.34 (#peak 214 )
&rst
ixpk= 214, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 669, 668,
&end
#
# 46 LYS HN 46 LYS HG2 4.79 (#peak 215 )
&rst
ixpk= 215, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 668, 669,
&end
#
# 26 CYZ HN 36 PHE QD 7.19 (#peak 221 )
&rst
ixpk= 221, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr2= 521, 529,
&end
#
# 26 CYZ HN 36 PHE QE 6.75 (#peak 223 )
&rst
ixpk= 223, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr2= 523, 527,
&end
#
# 26 CYZ HN 53 CYSS HB2 5.50 (#peak 233 )
&rst
ixpk= 233, nxpk= 0, iat= 372, 798, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 PHE HB2 57 SER HN 4.94 (#peak 278 )
&rst
ixpk= 278, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 778, 779,
&end
#
# 33 ILE HN 36 PHE HZ 4.38 (#peak 283 )
&rst
ixpk= 283, nxpk= 0, iat= 455, 525, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 33 ILE HN 33 ILE HG12 3.36 (#peak 290 )
&rst
ixpk= 290, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 465, 466,
&end
#
# 33 ILE HN 33 ILE HG13 3.70 (#peak 291 )
&rst
ixpk= 291, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 466, 465,
&end
#
# 37 HIE HD2 38 PHE HN 4.57 (#peak 302 )
&rst
ixpk= 302, nxpk= 0, iat= 546, 550, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 38 PHE HN 43 LEU HB2 4.94 (#peak 309 )
&rst
ixpk= 309, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 618, 619,
&end
#
# 23 MET HN 38 PHE QD 7.62 (#peak 318 )
&rst
ixpk= 318, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 558, 566,
&end
#
# 24 ILE HG13 25 GLY HN 2.90 (#peak 323 )
&rst
ixpk= 323, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 357, 356,
&end
#
# 25 GLY HN 35 TRP HE3 4.66 (#peak 329 )
&rst
ixpk= 329, nxpk= 0, iat= 365, 508, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 23 MET HN 23 MET HG2 3.95 (#peak 336 )
&rst
ixpk= 336, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 336, 337,
&end
#
# 22 GLU HG3 23 MET HN 5.50 (#peak 341 )
&rst
ixpk= 341, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 322, 321,
&end
#
# 12 TYR HN 12 TYR QD 6.46 (#peak 346 )
&rst
ixpk= 346, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2= 171, 180,
&end
#
# 12 TYR HN 12 TYR QE 7.63 (#peak 347 )
&rst
ixpk= 347, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2= 173, 178,
&end
#
# 22 GLU HN 22 GLU HG3 3.48 (#peak 360 )
&rst
ixpk= 360, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 322, 321,
&end
#
# 22 GLU HN 22 GLU HG2 3.52 (#peak 361 )
&rst
ixpk= 361, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 321, 322,
&end
#
# 50 LYS HN 50 LYS QD 4.76 (#peak 383 )
&rst
ixpk= 383, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 738, 739,
&end
#
# 50 LYS HN 50 LYS QG 5.73 (#peak 384 )
&rst
ixpk= 384, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 735, 736,
&end
#
# 54 PRO HD3 55 ARG HN 4.94 (#peak 391 )
&rst
ixpk= 391, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 807, 806,
&end
#
# 54 PRO HD2 55 ARG HN 4.23 (#peak 392 )
&rst
ixpk= 392, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 806, 807,
&end
#
# 55 ARG HN 55 ARG HG3 3.95 (#peak 399 )
&rst
ixpk= 399, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 827, 826,
&end
#
# 17 GLN HN 35 TRP HZ2 3.45 (#peak 414 )
&rst
ixpk= 414, nxpk= 0, iat= 242, 502, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 17 GLN HN 17 GLN HG2 3.95 (#peak 422 )
&rst
ixpk= 422, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 249, 250,
&end
#
# 35 TRP HN 35 TRP HD1 4.35 (#peak 430 )
&rst
ixpk= 430, nxpk= 0, iat= 489, 497, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 12 TYR HB3 35 TRP HN 5.50 (#peak 435 )
&rst
ixpk= 435, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 168, 167,
&end
#
# 12 TYR HB2 35 TRP HN 3.92 (#peak 439 )
&rst
ixpk= 439, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 167, 168,
&end
#
# 58 GLN HG3 59 GLU HN 5.50 (#peak 452 )
&rst
ixpk= 452, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 873, 872,
&end
#
# 59 GLU HN 59 GLU HG3 4.29 (#peak 453 )
&rst
ixpk= 453, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 890, 889,
&end
#
# 59 GLU HN 59 GLU HG2 3.55 (#peak 454 )
&rst
ixpk= 454, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 889, 890,
&end
#
# 34 GLU HN 36 PHE HZ 4.26 (#peak 458 )
&rst
ixpk= 458, nxpk= 0, iat= 474, 525, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 26 CYZ HN 36 PHE HZ 5.50 (#peak 459 )
&rst
ixpk= 459, nxpk= 0, iat= 372, 525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE HB 36 PHE HZ 3.55 (#peak 463 )
&rst
ixpk= 463, nxpk= 0, iat= 459, 525, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 36 PHE HZ 53 CYSS HA 5.50 (#peak 470 )
&rst
ixpk= 470, nxpk= 0, iat= 525, 796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ARG HN 60 ARG QG 4.73 (#peak 480 )
&rst
ixpk= 480, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 904, 905,
&end
#
# 38 PHE QD 43 LEU HN 7.62 (#peak 484 )
&rst
ixpk= 484, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 558, 566,
&end
#
# 43 LEU HN 43 LEU HG 4.01 (#peak 489 )
&rst
ixpk= 489, nxpk= 0, iat= 614, 621, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 9 GLU HN 10 PRO HD3 5.50 (#peak 500 )
&rst
ixpk= 500, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 137, 136,
&end
#
# 9 GLU HN 9 GLU QG 5.14 (#peak 501 )
&rst
ixpk= 501, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 127, 128,
&end
#
# 9 GLU HN 10 PRO HD2 5.50 (#peak 505 )
&rst
ixpk= 505, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 136, 137,
&end
#
# 63 LYS HN 63 LYS QG 5.57 (#peak 513 )
&rst
ixpk= 513, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2= 972, 973,
&end
#
# 29 PRO HD2 31 CYSS HN 5.50 (#peak 521 )
&rst
ixpk= 521, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 408, 409,
&end
#
# 61 LYS HN 61 LYS HG3 4.01 (#peak 532 )
&rst
ixpk= 532, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 929, 928,
&end
#
# 24 ILE HN 36 PHE QD 7.62 (#peak 537 )
&rst
ixpk= 537, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 521, 529,
&end
#
# 36 PHE QD 51 TRP HE3 7.47 (#peak 542 )
&rst
ixpk= 542, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
igr1= 521, 529,
&end
#
# 36 PHE QD 51 TRP HH2 6.47 (#peak 546 )
&rst
ixpk= 546, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr1= 521, 529,
&end
#
# 35 TRP HA 36 PHE QD 7.62 (#peak 547 )
&rst
ixpk= 547, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 521, 529,
&end
#
# 36 PHE HA 36 PHE QD 6.47 (#peak 548 )
&rst
ixpk= 548, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr2= 521, 529,
&end
#
# 36 PHE QD 53 CYSS HB3 7.62 (#peak 552 )
&rst
ixpk= 552, nxpk= 0, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 521, 529,
&end
#
# 14 LEU HG 36 PHE QD 6.07 (#peak 553 )
&rst
ixpk= 553, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 521, 529,
&end
#
# 13 CYZ HA 36 PHE QD 7.62 (#peak 566 )
&rst
ixpk= 566, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 521, 529,
&end
#
# 13 CYZ HB2 36 PHE QD 7.62 (#peak 569 )
&rst
ixpk= 569, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 521, 529,
&end
#
# 14 LEU HB2 36 PHE QD 7.62 (#peak 570 )
&rst
ixpk= 570, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 199, 200,
igr2= 521, 529,
&end
#
# 42 GLY HN 43 LEU HG 5.50 (#peak 597 )
&rst
ixpk= 597, nxpk= 0, iat= 607, 621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 CYSS HB3 17 GLN HE22 5.50 (#peak 607 )
&rst
ixpk= 607, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 255, 254,
&end
#
# 17 GLN HG3 17 GLN HE22 3.55 (#peak 609 )
&rst
ixpk= 609, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 250, 249,
igr2= 255, 254,
&end
#
# 11 THR HN 12 TYR QD 7.64 (#peak 614 )
&rst
ixpk= 614, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr2= 171, 180,
&end
#
# 51 TRP HA 51 TRP HE3 5.50 (#peak 621 )
&rst
ixpk= 621, nxpk= 0, iat= 752, 769, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 ASP HN 51 TRP HE3 3.42 (#peak 622 )
&rst
ixpk= 622, nxpk= 0, iat= 383, 769, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 26 CYZ HN 51 TRP HE3 4.79 (#peak 623 )
&rst
ixpk= 623, nxpk= 0, iat= 372, 769, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 26 CYZ HA 51 TRP HE3 3.45 (#peak 626 )
&rst
ixpk= 626, nxpk= 0, iat= 374, 769, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 51 TRP HB3 51 TRP HE3 2.96 (#peak 629 )
&rst
ixpk= 629, nxpk= 0, iat= 755, 769, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 24 ILE HG13 51 TRP HE3 4.14 (#peak 631 )
&rst
ixpk= 631, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 357, 356,
&end
#
# 24 ILE HG12 51 TRP HE3 4.88 (#peak 633 )
&rst
ixpk= 633, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 356, 357,
&end
#
# 26 CYZ HB2 51 TRP HE3 4.48 (#peak 636 )
&rst
ixpk= 636, nxpk= 0, iat= 376, 769, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 18 VAL HN 35 TRP HZ2 4.79 (#peak 638 )
&rst
ixpk= 638, nxpk= 0, iat= 259, 502, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 13 CYZ HB3 20 TYR HH 5.50 (#peak 643 )
&rst
ixpk= 643, nxpk= 0, iat= 189, 299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 GLN HG2 20 TYR HH 5.22 (#peak 644 )
&rst
ixpk= 644, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 249, 250,
&end
#
# 17 GLN HG3 20 TYR HH 3.64 (#peak 645 )
&rst
ixpk= 645, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 250, 249,
&end
#
# 17 GLN QB 20 TYR HH 5.35 (#peak 646 )
&rst
ixpk= 646, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 246, 247,
&end
#
# 20 TYR HH 37 HIE HN 5.50 (#peak 650 )
&rst
ixpk= 650, nxpk= 0, iat= 299, 533, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 TYR HH 37 HIE HB2 5.50 (#peak 654 )
&rst
ixpk= 654, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 537, 538,
&end
#
# 41 VAL HN 43 LEU HG 5.50 (#peak 669 )
&rst
ixpk= 669, nxpk= 0, iat= 591, 621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 TYR HN 37 HIE HD2 5.50 (#peak 680 )
&rst
ixpk= 680, nxpk= 0, iat= 286, 546, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 TYR HN 23 MET HG3 5.00 (#peak 685 )
&rst
ixpk= 685, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 337, 336,
&end
#
# 20 TYR HN 23 MET HG2 5.50 (#peak 686 )
&rst
ixpk= 686, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 336, 337,
&end
#
# 14 LEU HB2 36 PHE QE 7.62 (#peak 699 )
&rst
ixpk= 699, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 199, 200,
igr2= 523, 527,
&end
#
# 36 PHE QE 53 CYSS HB3 6.51 (#peak 703 )
&rst
ixpk= 703, nxpk= 0, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 523, 527,
&end
#
# 36 PHE QE 53 CYSS HB2 6.66 (#peak 704 )
&rst
ixpk= 704, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr1= 523, 527,
&end
#
# 36 PHE HN 36 PHE QE 7.62 (#peak 707 )
&rst
ixpk= 707, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 523, 527,
&end
#
# 33 ILE HN 36 PHE QE 7.62 (#peak 709 )
&rst
ixpk= 709, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 523, 527,
&end
#
# 35 TRP HN 36 PHE QE 7.62 (#peak 710 )
&rst
ixpk= 710, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 523, 527,
&end
#
# 13 CYZ HA 36 PHE QE 7.62 (#peak 715 )
&rst
ixpk= 715, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 523, 527,
&end
#
# 36 PHE QE 53 CYSS HA 7.62 (#peak 716 )
&rst
ixpk= 716, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 523, 527,
&end
#
# 26 CYZ HB2 36 PHE QE 5.70 (#peak 719 )
&rst
ixpk= 719, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 523, 527,
&end
#
# 33 ILE HB 36 PHE QE 6.13 (#peak 723 )
&rst
ixpk= 723, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr2= 523, 527,
&end
#
# 14 LEU HA 36 PHE QE 7.62 (#peak 728 )
&rst
ixpk= 728, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 523, 527,
&end
#
# 16 HIS HA 16 HIS HD2 5.50 (#peak 729 )
&rst
ixpk= 729, nxpk= 0, iat= 227, 238, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 PRO HD2 51 TRP HD1 5.50 (#peak 734 )
&rst
ixpk= 734, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 684, 685,
&end
#
# 51 TRP HB2 51 TRP HD1 3.39 (#peak 735 )
&rst
ixpk= 735, nxpk= 0, iat= 754, 758, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 47 PRO HB3 51 TRP HD1 4.57 (#peak 736 )
&rst
ixpk= 736, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 691, 690,
&end
#
# 51 TRP HA 51 TRP HD1 3.55 (#peak 738 )
&rst
ixpk= 738, nxpk= 0, iat= 752, 758, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 13 CYZ HN 35 TRP HB2 6.00 (#peak 741 )
&rst
ixpk= 741, nxpk= 0, iat= 184, 493, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 PRO HB2 51 TRP HD1 4.88 (#peak 742 )
&rst
ixpk= 742, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 690, 691,
&end
#
# 43 LEU HG 51 TRP HD1 5.50 (#peak 744 )
&rst
ixpk= 744, nxpk= 0, iat= 621, 758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ASP HA 50 LYS HZ2 5.50 (#peak 761 )
&rst
ixpk= 761, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 744, 745, 746,
&end
#
# 27 ASP HB2 50 LYS HZ2 5.07 (#peak 762 )
&rst
ixpk= 762, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 387, 388,
igr2= 744, 745, 746,
&end
#
# 50 LYS QB 50 LYS HZ2 4.61 (#peak 763 )
&rst
ixpk= 763, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 732, 733,
igr2= 744, 745, 746,
&end
#
# 12 TYR QD 34 GLU HG3 7.61 (#peak 767 )
&rst
ixpk= 767, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.59, r4=10.09,
igr1= 171, 180,
igr2= 482, 481,
&end
#
# 10 PRO HB3 12 TYR QD 7.64 (#peak 768 )
&rst
ixpk= 768, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
igr1= 143, 142,
igr2= 171, 180,
&end
#
# 12 TYR QD 19 SER HN 7.64 (#peak 769 )
&rst
ixpk= 769, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 171, 180,
&end
#
# 12 TYR QD 35 TRP HN 7.64 (#peak 771 )
&rst
ixpk= 771, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 171, 180,
&end
#
# 12 TYR HA 12 TYR QD 5.44 (#peak 772 )
&rst
ixpk= 772, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 171, 180,
&end
#
# 12 TYR QD 33 ILE HA 7.58 (#peak 774 )
&rst
ixpk= 774, nxpk= 0, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 8.51, r4= 9.01,
igr1= 171, 180,
&end
#
# 12 TYR QD 35 TRP HB3 6.55 (#peak 777 )
&rst
ixpk= 777, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 171, 180,
&end
#
# 12 TYR QD 18 VAL HB 7.64 (#peak 778 )
&rst
ixpk= 778, nxpk= 0, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 171, 180,
&end
#
# 27 ASP HB3 50 LYS HZ1 5.47 (#peak 779 )
&rst
ixpk= 779, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1= 388, 387,
igr2= 744, 745, 746,
&end
#
# 10 PRO HB2 12 TYR QD 7.64 (#peak 781 )
&rst
ixpk= 781, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
igr1= 142, 143,
igr2= 171, 180,
&end
#
# 23 MET HA 35 TRP HE3 5.50 (#peak 789 )
&rst
ixpk= 789, nxpk= 0, iat= 331, 508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 CYZ HN 52 PHE QD 7.62 (#peak 790 )
&rst
ixpk= 790, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 782, 790,
&end
#
# 24 ILE HA 35 TRP HE3 5.50 (#peak 793 )
&rst
ixpk= 793, nxpk= 0, iat= 348, 508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 MET HB3 35 TRP HE3 3.45 (#peak 795 )
&rst
ixpk= 795, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 334, 333,
&end
#
# 23 MET HB2 35 TRP HE3 4.38 (#peak 796 )
&rst
ixpk= 796, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 333, 334,
&end
#
# 28 ASP HN 52 PHE QD 6.85 (#peak 797 )
&rst
ixpk= 797, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr2= 782, 790,
&end
#
# 27 ASP HN 52 PHE QD 6.94 (#peak 798 )
&rst
ixpk= 798, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr2= 782, 790,
&end
#
# 52 PHE HA 52 PHE QD 6.75 (#peak 799 )
&rst
ixpk= 799, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr2= 782, 790,
&end
#
# 52 PHE QD 56 CYSS HB3 7.53 (#peak 801 )
&rst
ixpk= 801, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95,
igr1= 782, 790,
&end
#
# 28 ASP HA 52 PHE QD 7.62 (#peak 805 )
&rst
ixpk= 805, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 782, 790,
&end
#
# 27 ASP HA 52 PHE QD 7.62 (#peak 806 )
&rst
ixpk= 806, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 782, 790,
&end
#
# 51 TRP HA 52 PHE QD 7.50 (#peak 807 )
&rst
ixpk= 807, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2= 782, 790,
&end
#
# 52 PHE QD 57 SER HA 7.62 (#peak 808 )
&rst
ixpk= 808, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 782, 790,
&end
#
# 27 ASP HB2 52 PHE QD 7.62 (#peak 809 )
&rst
ixpk= 809, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 387, 388,
igr2= 782, 790,
&end
#
# 50 LYS QG 52 PHE QD 8.50 (#peak 810 )
&rst
ixpk= 810, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.71, r4=11.21,
igr1= 735, 736,
igr2= 782, 790,
&end
#
# 27 ASP HA 50 LYS HZ1 5.50 (#peak 813 )
&rst
ixpk= 813, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 744, 745, 746,
&end
#
# 50 LYS HA 50 LYS HZ1 5.50 (#peak 817 )
&rst
ixpk= 817, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 744, 745, 746,
&end
#
# 35 TRP HB2 35 TRP HD1 3.79 (#peak 821 )
&rst
ixpk= 821, nxpk= 0, iat= 493, 497, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 35 TRP HA 35 TRP HD1 4.69 (#peak 826 )
&rst
ixpk= 826, nxpk= 0, iat= 491, 497, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 35 TRP HB3 35 TRP HD1 3.92 (#peak 828 )
&rst
ixpk= 828, nxpk= 0, iat= 494, 497, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 34 GLU HG3 35 TRP HD1 3.33 (#peak 829 )
&rst
ixpk= 829, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 482, 481,
&end
#
# 34 GLU HB3 35 TRP HD1 5.00 (#peak 831 )
&rst
ixpk= 831, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 479, 478,
&end
#
# 41 VAL HA 51 TRP HZ2 4.48 (#peak 836 )
&rst
ixpk= 836, nxpk= 0, iat= 593, 763, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 51 TRP HZ2 53 CYSS HB3 5.50 (#peak 839 )
&rst
ixpk= 839, nxpk= 0, iat= 763, 799, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 TYR QD 22 GLU HN 7.64 (#peak 841 )
&rst
ixpk= 841, nxpk= 0, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 294, 303,
&end
#
# 18 VAL HN 20 TYR QD 7.64 (#peak 842 )
&rst
ixpk= 842, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr2= 294, 303,
&end
#
# 36 PHE QD 51 TRP HZ2 7.62 (#peak 843 )
&rst
ixpk= 843, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 521, 529,
&end
#
# 20 TYR HN 20 TYR QD 7.05 (#peak 845 )
&rst
ixpk= 845, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr2= 294, 303,
&end
#
# 20 TYR HA 20 TYR QD 6.65 (#peak 851 )
&rst
ixpk= 851, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr2= 294, 303,
&end
#
# 20 TYR QD 21 GLY HA2 7.64 (#peak 852 )
&rst
ixpk= 852, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
igr1= 294, 303,
igr2= 309, 310,
&end
#
# 20 TYR QD 21 GLY HA1 7.64 (#peak 853 )
&rst
ixpk= 853, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
igr1= 294, 303,
igr2= 309, 310,
&end
#
# 17 GLN HG3 20 TYR QD 7.64 (#peak 856 )
&rst
ixpk= 856, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
igr1= 250, 249,
igr2= 294, 303,
&end
#
# 46 LYS HG2 46 LYS HZ1 3.89 (#peak 860 )
&rst
ixpk= 860, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 668, 669,
igr2= 677, 678, 679,
&end
#
# 38 PHE QE 47 PRO HD3 7.22 (#peak 861 )
&rst
ixpk= 861, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
igr1= 560, 564,
igr2= 685, 684,
&end
#
# 22 GLU HG3 38 PHE QE 7.62 (#peak 862 )
&rst
ixpk= 862, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 322, 321,
igr2= 560, 564,
&end
#
# 22 GLU HB2 38 PHE QE 7.62 (#peak 864 )
&rst
ixpk= 864, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 318, 319,
igr2= 560, 564,
&end
#
# 24 ILE HN 38 PHE QE 7.40 (#peak 865 )
&rst
ixpk= 865, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
igr2= 560, 564,
&end
#
# 38 PHE QE 45 THR HA 6.72 (#peak 867 )
&rst
ixpk= 867, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 560, 564,
&end
#
# 38 PHE QE 44 THR HA 7.62 (#peak 868 )
&rst
ixpk= 868, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 560, 564,
&end
#
# 24 ILE HG13 38 PHE QE 7.34 (#peak 873 )
&rst
ixpk= 873, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.25, r4= 9.75,
igr1= 357, 356,
igr2= 560, 564,
&end
#
# 38 PHE QE 43 LEU HB2 7.62 (#peak 874 )
&rst
ixpk= 874, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 560, 564,
igr2= 618, 619,
&end
#
# 23 MET HB3 35 TRP HZ3 5.31 (#peak 879 )
&rst
ixpk= 879, nxpk= 0, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 334, 333,
&end
#
# 24 ILE HB 38 PHE QE 5.14 (#peak 880 )
&rst
ixpk= 880, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 560, 564,
&end
#
# 25 GLY HN 38 PHE QE 7.62 (#peak 882 )
&rst
ixpk= 882, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 560, 564,
&end
#
# 24 ILE HA 38 PHE QE 7.62 (#peak 887 )
&rst
ixpk= 887, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 560, 564,
&end
#
# 23 MET HB2 37 HIE HD2 5.50 (#peak 888 )
&rst
ixpk= 888, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 333, 334,
&end
#
# 37 HIE HD2 39 ALA HN 5.50 (#peak 890 )
&rst
ixpk= 890, nxpk= 0, iat= 546, 570, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TRP HE3 52 PHE HN 5.50 (#peak 893 )
&rst
ixpk= 893, nxpk= 0, iat= 769, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 HIE HA 37 HIE HD2 5.10 (#peak 896 )
&rst
ixpk= 896, nxpk= 0, iat= 535, 546, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 37 HIE HB2 37 HIE HD2 3.33 (#peak 899 )
&rst
ixpk= 899, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 537, 538,
&end
#
# 23 MET HG3 37 HIE HD2 5.50 (#peak 901 )
&rst
ixpk= 901, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 337, 336,
&end
#
# 20 TYR QE 37 HIE HD2 7.63 (#peak 903 )
&rst
ixpk= 903, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr1= 296, 301,
&end
#
# 12 TYR QE 35 TRP HB3 7.63 (#peak 908 )
&rst
ixpk= 908, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr1= 173, 178,
&end
#
# 10 PRO HB2 12 TYR QE 6.36 (#peak 909 )
&rst
ixpk= 909, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1= 142, 143,
igr2= 173, 178,
&end
#
# 12 TYR QE 19 SER HN 7.63 (#peak 910 )
&rst
ixpk= 910, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr1= 173, 178,
&end
#
# 12 TYR QE 35 TRP HD1 6.58 (#peak 912 )
&rst
ixpk= 912, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 173, 178,
&end
#
# 12 TYR QE 19 SER QB 8.35 (#peak 915 )
&rst
ixpk= 915, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
igr1= 173, 178,
igr2= 279, 280,
&end
#
# 12 TYR QE 34 GLU HG3 7.63 (#peak 918 )
&rst
ixpk= 918, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 173, 178,
igr2= 482, 481,
&end
#
# 10 PRO HG3 12 TYR QE 7.63 (#peak 919 )
&rst
ixpk= 919, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 140, 139,
igr2= 173, 178,
&end
#
# 38 PHE QD 39 ALA HA 7.62 (#peak 922 )
&rst
ixpk= 922, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 558, 566,
&end
#
# 38 PHE QD 39 ALA HN 7.62 (#peak 925 )
&rst
ixpk= 925, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 558, 566,
&end
#
# 38 PHE HN 38 PHE QD 5.70 (#peak 926 )
&rst
ixpk= 926, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 558, 566,
&end
#
# 37 HIE HA 38 PHE QD 7.22 (#peak 930 )
&rst
ixpk= 930, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60,
igr2= 558, 566,
&end
#
# 38 PHE QD 45 THR HA 7.62 (#peak 931 )
&rst
ixpk= 931, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 558, 566,
&end
#
# 38 PHE QD 44 THR HA 7.62 (#peak 932 )
&rst
ixpk= 932, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 558, 566,
&end
#
# 38 PHE HA 38 PHE QD 5.36 (#peak 933 )
&rst
ixpk= 933, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 558, 566,
&end
#
# 22 GLU HG3 38 PHE QD 7.62 (#peak 936 )
&rst
ixpk= 936, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 322, 321,
igr2= 558, 566,
&end
#
# 23 MET HB2 38 PHE QD 7.62 (#peak 937 )
&rst
ixpk= 937, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 333, 334,
igr2= 558, 566,
&end
#
# 24 ILE HB 38 PHE QD 6.10 (#peak 938 )
&rst
ixpk= 938, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2= 558, 566,
&end
#
# 38 PHE QD 43 LEU HG 7.62 (#peak 939 )
&rst
ixpk= 939, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 558, 566,
&end
#
# 38 PHE QD 46 LYS HA 7.62 (#peak 948 )
&rst
ixpk= 948, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 558, 566,
&end
#
# 20 TYR QE 37 HIE HB2 7.63 (#peak 951 )
&rst
ixpk= 951, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 296, 301,
igr2= 537, 538,
&end
#
# 20 TYR HN 20 TYR QE 7.63 (#peak 954 )
&rst
ixpk= 954, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2= 296, 301,
&end
#
# 17 GLN HG2 20 TYR QE 7.48 (#peak 959 )
&rst
ixpk= 959, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 249, 250,
igr2= 296, 301,
&end
#
# 17 GLN HG3 20 TYR QE 7.32 (#peak 960 )
&rst
ixpk= 960, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.22, r4= 9.72,
igr1= 250, 249,
igr2= 296, 301,
&end
#
# 17 GLN QB 20 TYR QE 8.42 (#peak 961 )
&rst
ixpk= 961, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.61, r4=11.11,
igr1= 246, 247,
igr2= 296, 301,
&end
#
# 26 CYZ HN 51 TRP HZ3 4.23 (#peak 963 )
&rst
ixpk= 963, nxpk= 0, iat= 372, 767, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 36 PHE HZ 51 TRP HZ3 5.50 (#peak 964 )
&rst
ixpk= 964, nxpk= 0, iat= 525, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PHE QD 51 TRP HZ3 5.76 (#peak 965 )
&rst
ixpk= 965, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 521, 529,
&end
#
# 36 PHE QE 51 TRP HZ3 6.69 (#peak 966 )
&rst
ixpk= 966, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
igr1= 523, 527,
&end
#
# 51 TRP HZ3 53 CYSS HA 4.38 (#peak 969 )
&rst
ixpk= 969, nxpk= 0, iat= 767, 796, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 26 CYZ HB3 51 TRP HZ3 3.83 (#peak 970 )
&rst
ixpk= 970, nxpk= 0, iat= 377, 767, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 51 TRP HB3 51 TRP HZ3 5.50 (#peak 971 )
&rst
ixpk= 971, nxpk= 0, iat= 755, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 CYZ HB2 51 TRP HZ3 3.55 (#peak 972 )
&rst
ixpk= 972, nxpk= 0, iat= 376, 767, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 36 PHE HB2 51 TRP HZ3 5.50 (#peak 973 )
&rst
ixpk= 973, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 517, 518,
&end
#
# 51 TRP HZ3 53 CYSS HN 4.04 (#peak 980 )
&rst
ixpk= 980, nxpk= 0, iat= 767, 794, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 26 CYZ HA 51 TRP HZ3 3.42 (#peak 982 )
&rst
ixpk= 982, nxpk= 0, iat= 374, 767, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 25 GLY HA1 51 TRP HZ3 5.50 (#peak 983 )
&rst
ixpk= 983, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 367, 368,
&end
#
# 36 PHE QE 51 TRP HH2 7.62 (#peak 984 )
&rst
ixpk= 984, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 523, 527,
&end
#
# 51 TRP HH2 54 PRO HD3 4.35 (#peak 992 )
&rst
ixpk= 992, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 807, 806,
&end
#
# 51 TRP HH2 54 PRO HD2 4.42 (#peak 993 )
&rst
ixpk= 993, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 806, 807,
&end
#
# 41 VAL HB 51 TRP HH2 5.44 (#peak 994 )
&rst
ixpk= 994, nxpk= 0, iat= 595, 765, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 51 TRP HH2 53 CYSS HB3 4.69 (#peak 995 )
&rst
ixpk= 995, nxpk= 0, iat= 765, 799, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 36 PHE HB3 51 TRP HH2 4.85 (#peak 1000 )
&rst
ixpk= 1000, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 518, 517,
&end
#
# 26 CYZ HB2 51 TRP HH2 5.50 (#peak 1001 )
&rst
ixpk= 1001, nxpk= 0, iat= 376, 765, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 MET HA 38 PHE QE 7.62 (#peak 1007 )
&rst
ixpk= 1007, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 560, 564,
&end
#
# 23 MET HA 38 PHE QD 7.62 (#peak 1008 )
&rst
ixpk= 1008, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 558, 566,
&end
#
# 35 TRP HA 35 TRP HE3 5.50 (#peak 1013 )
&rst
ixpk= 1013, nxpk= 0, iat= 491, 508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE HA 33 ILE HG13 3.89 (#peak 1042 )
&rst
ixpk= 1042, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 466, 465,
&end
#
# 46 LYS HA 47 PRO HG2 5.50 (#peak 1088 )
&rst
ixpk= 1088, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 687, 688,
&end
#
# 28 ASP HB3 52 PHE QD 7.62 (#peak 1091 )
&rst
ixpk= 1091, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 400, 399,
igr2= 782, 790,
&end
#
# 38 PHE QE 46 LYS HA 7.62 (#peak 1092 )
&rst
ixpk= 1092, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 560, 564,
&end
#
# 46 LYS HA 47 PRO HD2 3.14 (#peak 1095 )
&rst
ixpk= 1095, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 684, 685,
&end
#
# 22 GLU HA 22 GLU HG2 3.73 (#peak 1103 )
&rst
ixpk= 1103, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 321, 322,
&end
#
# 38 PHE HA 43 LEU HG 5.50 (#peak 1119 )
&rst
ixpk= 1119, nxpk= 0, iat= 552, 621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 PHE HA 43 LEU HB2 3.48 (#peak 1120 )
&rst
ixpk= 1120, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 618, 619,
&end
#
# 38 PHE HA 43 LEU HB3 4.48 (#peak 1123 )
&rst
ixpk= 1123, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 619, 618,
&end
#
# 28 ASP HA 29 PRO HD2 2.86 (#peak 1141 )
&rst
ixpk= 1141, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 408, 409,
&end
#
# 52 PHE HB2 57 SER HA 3.89 (#peak 1143 )
&rst
ixpk= 1143, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 778, 779,
&end
#
# 9 GLU HA 10 PRO HD3 2.59 (#peak 1151 )
&rst
ixpk= 1151, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
igr2= 137, 136,
&end
#
# 26 CYZ HB3 34 GLU HA 5.50 (#peak 1155 )
&rst
ixpk= 1155, nxpk= 0, iat= 377, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 GLU HA 34 GLU HG3 3.48 (#peak 1157 )
&rst
ixpk= 1157, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 482, 481,
&end
#
# 51 TRP HZ2 53 CYSS HA 3.39 (#peak 1165 )
&rst
ixpk= 1165, nxpk= 0, iat= 763, 796, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 51 TRP HH2 53 CYSS HA 3.36 (#peak 1166 )
&rst
ixpk= 1166, nxpk= 0, iat= 765, 796, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 46 LYS HA 47 PRO HD3 2.40 (#peak 1174 )
&rst
ixpk= 1174, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr2= 685, 684,
&end
#
# 46 LYS HG2 47 PRO HD3 4.82 (#peak 1177 )
&rst
ixpk= 1177, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 668, 669,
igr2= 685, 684,
&end
#
# 28 ASP HB3 31 CYSS HB3 3.48 (#peak 1188 )
&rst
ixpk= 1188, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 400, 399,
&end
#
# 36 PHE QD 54 PRO HD2 7.62 (#peak 1197 )
&rst
ixpk= 1197, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 521, 529,
igr2= 806, 807,
&end
#
# 36 PHE QE 54 PRO HD2 7.62 (#peak 1198 )
&rst
ixpk= 1198, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 523, 527,
igr2= 806, 807,
&end
#
# 38 PHE HB3 43 LEU HN 5.50 (#peak 1204 )
&rst
ixpk= 1204, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 555, 554,
&end
#
# 53 CYSS HB3 54 PRO HD2 4.29 (#peak 1210 )
&rst
ixpk= 1210, nxpk= 0, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 806, 807,
&end
#
# 22 GLU HB3 38 PHE HB3 4.85 (#peak 1211 )
&rst
ixpk= 1211, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 319, 318,
igr2= 555, 554,
&end
#
# 24 ILE HG12 47 PRO HD2 5.50 (#peak 1213 )
&rst
ixpk= 1213, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 356, 357,
igr2= 684, 685,
&end
#
# 38 PHE QE 47 PRO HD2 7.62 (#peak 1214 )
&rst
ixpk= 1214, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 560, 564,
igr2= 684, 685,
&end
#
# 46 LYS HG3 47 PRO HD2 5.50 (#peak 1219 )
&rst
ixpk= 1219, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 669, 668,
igr2= 684, 685,
&end
#
# 24 ILE HG13 47 PRO HD2 5.50 (#peak 1220 )
&rst
ixpk= 1220, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 357, 356,
igr2= 684, 685,
&end
#
# 46 LYS HG2 47 PRO HD2 3.58 (#peak 1224 )
&rst
ixpk= 1224, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 668, 669,
igr2= 684, 685,
&end
#
# 37 HIE HB3 40 CYSS HB2 5.50 (#peak 1241 )
&rst
ixpk= 1241, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 538, 537,
&end
#
# 55 ARG HN 55 ARG QD 6.38 (#peak 1245 )
&rst
ixpk= 1245, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 829, 830,
&end
#
# 55 ARG HA 55 ARG QD 5.35 (#peak 1248 )
&rst
ixpk= 1248, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 829, 830,
&end
#
# 26 CYZ HB3 51 TRP HE3 5.50 (#peak 1255 )
&rst
ixpk= 1255, nxpk= 0, iat= 377, 769, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 CYZ HB3 53 CYSS HN 4.04 (#peak 1259 )
&rst
ixpk= 1259, nxpk= 0, iat= 377, 794, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 26 CYZ HB3 36 PHE HZ 5.50 (#peak 1260 )
&rst
ixpk= 1260, nxpk= 0, iat= 377, 525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 CYZ HB3 36 PHE QE 7.13 (#peak 1261 )
&rst
ixpk= 1261, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr2= 523, 527,
&end
#
# 26 CYZ HB3 53 CYSS HB3 5.50 (#peak 1264 )
&rst
ixpk= 1264, nxpk= 0, iat= 377, 799, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 ARG HA 48 ARG QD 6.16 (#peak 1273 )
&rst
ixpk= 1273, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2= 707, 708,
&end
#
# 15 CYSS HB2 17 GLN HG3 5.50 (#peak 1294 )
&rst
ixpk= 1294, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 250, 249,
&end
#
# 12 TYR HB3 34 GLU HG3 5.50 (#peak 1297 )
&rst
ixpk= 1297, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 168, 167,
igr2= 482, 481,
&end
#
# 26 CYZ HB2 53 CYSS HN 3.89 (#peak 1313 )
&rst
ixpk= 1313, nxpk= 0, iat= 376, 794, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 26 CYZ HB2 53 CYSS HB2 3.73 (#peak 1321 )
&rst
ixpk= 1321, nxpk= 0, iat= 376, 798, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 26 CYZ HB2 36 PHE HZ 5.38 (#peak 1322 )
&rst
ixpk= 1322, nxpk= 0, iat= 376, 525, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 26 CYZ HB2 53 CYSS HA 5.50 (#peak 1325 )
&rst
ixpk= 1325, nxpk= 0, iat= 376, 796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ASP HB3 56 CYSS HB3 5.50 (#peak 1331 )
&rst
ixpk= 1331, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 400, 399,
&end
#
# 52 PHE HB3 56 CYSS HB3 3.42 (#peak 1332 )
&rst
ixpk= 1332, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 779, 778,
&end
#
# 6 ASP HB3 7 PRO QD 6.38 (#peak 1355 )
&rst
ixpk= 1355, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.04, r4= 8.54,
igr1= 85, 84,
igr2= 93, 94,
&end
#
# 28 ASP HB3 31 CYSS HB2 4.45 (#peak 1357 )
&rst
ixpk= 1357, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 400, 399,
&end
#
# 36 PHE HB2 51 TRP HH2 4.82 (#peak 1375 )
&rst
ixpk= 1375, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 517, 518,
&end
#
# 41 VAL HB 43 LEU HG 5.50 (#peak 1385 )
&rst
ixpk= 1385, nxpk= 0, iat= 595, 621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 PRO HB2 51 TRP HB2 5.50 (#peak 1399 )
&rst
ixpk= 1399, nxpk= 0, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 690, 691,
&end
#
# 17 GLN HG2 17 GLN HE21 4.07 (#peak 1418 )
&rst
ixpk= 1418, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 249, 250,
igr2= 254, 255,
&end
#
# 15 CYSS HB3 17 GLN HG2 5.50 (#peak 1420 )
&rst
ixpk= 1420, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 249, 250,
&end
#
# 17 GLN HG2 18 VAL HN 5.50 (#peak 1422 )
&rst
ixpk= 1422, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 249, 250,
&end
#
# 27 ASP HB3 50 LYS HZ2 5.50 (#peak 1433 )
&rst
ixpk= 1433, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 388, 387,
igr2= 744, 745, 746,
&end
#
# 27 ASP HB3 51 TRP HN 5.04 (#peak 1437 )
&rst
ixpk= 1437, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 388, 387,
&end
#
# 17 GLN HN 17 GLN HG3 3.45 (#peak 1442 )
&rst
ixpk= 1442, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 250, 249,
&end
#
# 15 CYSS HB3 17 GLN HG3 4.29 (#peak 1448 )
&rst
ixpk= 1448, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 250, 249,
&end
#
# 12 TYR QE 35 TRP HB2 7.63 (#peak 1457 )
&rst
ixpk= 1457, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr1= 173, 178,
&end
#
# 52 PHE HB3 57 SER HN 4.51 (#peak 1470 )
&rst
ixpk= 1470, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 779, 778,
&end
#
# 58 GLN HN 58 GLN HG3 4.29 (#peak 1479 )
&rst
ixpk= 1479, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 873, 872,
&end
#
# 58 GLN HN 58 GLN HG2 4.29 (#peak 1484 )
&rst
ixpk= 1484, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 872, 873,
&end
#
# 34 GLU HG3 35 TRP HN 3.73 (#peak 1487 )
&rst
ixpk= 1487, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 482, 481,
&end
#
# 13 CYZ HB2 37 HIE HN 3.24 (#peak 1489 )
&rst
ixpk= 1489, nxpk= 0, iat= 188, 533, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 13 CYZ HB2 36 PHE HA 4.11 (#peak 1493 )
&rst
ixpk= 1493, nxpk= 0, iat= 188, 515, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 17 GLN QB 17 GLN HE22 6.38 (#peak 1501 )
&rst
ixpk= 1501, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.04, r4= 8.54,
igr1= 246, 247,
igr2= 255, 254,
&end
#
# 9 GLU QG 10 PRO HD3 6.38 (#peak 1510 )
&rst
ixpk= 1510, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.04, r4= 8.54,
igr1= 127, 128,
igr2= 137, 136,
&end
#
# 59 GLU HA 59 GLU HG3 4.01 (#peak 1519 )
&rst
ixpk= 1519, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 890, 889,
&end
#
# 51 TRP HZ3 53 CYSS HB3 5.50 (#peak 1530 )
&rst
ixpk= 1530, nxpk= 0, iat= 767, 799, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 PHE HB2 57 SER HB2 5.19 (#peak 1532 )
&rst
ixpk= 1532, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 778, 779,
igr2= 858, 859,
&end
#
# 52 PHE HB2 56 CYSS HB2 4.32 (#peak 1533 )
&rst
ixpk= 1533, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 778, 779,
&end
#
# 59 GLU HA 59 GLU HG2 4.01 (#peak 1536 )
&rst
ixpk= 1536, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 889, 890,
&end
#
# 23 MET HN 23 MET HG3 3.79 (#peak 1538 )
&rst
ixpk= 1538, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 337, 336,
&end
#
# 23 MET HA 23 MET HG3 3.70 (#peak 1540 )
&rst
ixpk= 1540, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 337, 336,
&end
#
# 23 MET HG3 37 HIE HA 5.50 (#peak 1541 )
&rst
ixpk= 1541, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 337, 336,
&end
#
# 14 LEU HA 14 LEU HG 3.70 (#peak 1542 )
&rst
ixpk= 1542, nxpk= 0, iat= 197, 202, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 14 LEU HG 15 CYSS HN 4.14 (#peak 1552 )
&rst
ixpk= 1552, nxpk= 0, iat= 202, 214, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 14 LEU HG 36 PHE QE 5.95 (#peak 1553 )
&rst
ixpk= 1553, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2= 523, 527,
&end
#
# 54 PRO HG2 55 ARG HN 5.50 (#peak 1554 )
&rst
ixpk= 1554, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 809, 810,
&end
#
# 53 CYSS HA 54 PRO HG2 4.54 (#peak 1555 )
&rst
ixpk= 1555, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 809, 810,
&end
#
# 23 MET HG2 37 HIE HA 5.50 (#peak 1566 )
&rst
ixpk= 1566, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 336, 337,
&end
#
# 12 TYR HB2 35 TRP HB2 5.50 (#peak 1591 )
&rst
ixpk= 1591, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 167, 168,
&end
#
# 10 PRO HG2 12 TYR QE 7.11 (#peak 1606 )
&rst
ixpk= 1606, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.96, r4= 9.46,
igr1= 139, 140,
igr2= 173, 178,
&end
#
# 28 ASP HA 29 PRO HG2 4.57 (#peak 1611 )
&rst
ixpk= 1611, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 411, 412,
&end
#
# 46 LYS HB3 46 LYS HZ1 3.42 (#peak 1626 )
&rst
ixpk= 1626, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 666, 665,
igr2= 677, 678, 679,
&end
#
# 51 TRP HZ3 53 CYSS HB2 4.11 (#peak 1627 )
&rst
ixpk= 1627, nxpk= 0, iat= 767, 798, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 53 CYSS HB2 54 PRO HD3 5.47 (#peak 1628 )
&rst
ixpk= 1628, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 807, 806,
&end
#
# 14 LEU HB3 36 PHE QE 7.62 (#peak 1640 )
&rst
ixpk= 1640, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 200, 199,
igr2= 523, 527,
&end
#
# 27 ASP HB2 50 LYS HZ1 3.98 (#peak 1653 )
&rst
ixpk= 1653, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 387, 388,
igr2= 744, 745, 746,
&end
#
# 61 LYS HB3 61 LYS HG3 3.05 (#peak 1656 )
&rst
ixpk= 1656, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 926, 925,
igr2= 929, 928,
&end
#
# 27 ASP HB2 50 LYS QG 6.38 (#peak 1657 )
&rst
ixpk= 1657, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.04, r4= 8.54,
igr1= 387, 388,
igr2= 735, 736,
&end
#
# 47 PRO HG2 51 TRP HD1 3.92 (#peak 1658 )
&rst
ixpk= 1658, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 687, 688,
&end
#
# 47 PRO HG2 51 TRP HB3 4.42 (#peak 1662 )
&rst
ixpk= 1662, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 687, 688,
&end
#
# 47 PRO HG2 51 TRP HB2 4.04 (#peak 1663 )
&rst
ixpk= 1663, nxpk= 0, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 687, 688,
&end
#
# 47 PRO HG3 51 TRP HB2 4.23 (#peak 1686 )
&rst
ixpk= 1686, nxpk= 0, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 688, 687,
&end
#
# 47 PRO HG3 51 TRP HD1 3.89 (#peak 1689 )
&rst
ixpk= 1689, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 688, 687,
&end
#
# 33 ILE HG12 36 PHE HZ 5.50 (#peak 1714 )
&rst
ixpk= 1714, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 465, 466,
&end
#
# 33 ILE HG12 36 PHE QE 7.62 (#peak 1715 )
&rst
ixpk= 1715, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 465, 466,
igr2= 523, 527,
&end
#
# 50 LYS QB 50 LYS QE 7.25 (#peak 1717 )
&rst
ixpk= 1717, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 732, 733,
igr2= 741, 742,
&end
#
# 50 LYS QB 50 LYS HZ1 5.26 (#peak 1723 )
&rst
ixpk= 1723, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 732, 733,
igr2= 744, 745, 746,
&end
#
# 23 MET HB2 23 MET HG3 3.05 (#peak 1736 )
&rst
ixpk= 1736, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 333, 334,
igr2= 337, 336,
&end
#
# 50 LYS QD 51 TRP HN 6.38 (#peak 1762 )
&rst
ixpk= 1762, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 738, 739,
&end
#
# 59 GLU HB3 60 ARG QG 6.38 (#peak 1768 )
&rst
ixpk= 1768, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.04, r4= 8.54,
igr1= 887, 886,
igr2= 904, 905,
&end
#
# 60 ARG HA 60 ARG QG 4.24 (#peak 1771 )
&rst
ixpk= 1771, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 904, 905,
&end
#
# 46 LYS HA 46 LYS HG2 3.52 (#peak 1776 )
&rst
ixpk= 1776, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 668, 669,
&end
#
# 61 LYS HA 61 LYS HG3 4.11 (#peak 1781 )
&rst
ixpk= 1781, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 929, 928,
&end
#
# 61 LYS HA 61 LYS HG2 3.76 (#peak 1785 )
&rst
ixpk= 1785, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 928, 929,
&end
#
# 50 LYS QG 50 LYS HZ2 6.16 (#peak 1803 )
&rst
ixpk= 1803, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 735, 736,
igr2= 744, 745, 746,
&end
#
# 50 LYS QG 50 LYS HZ1 6.13 (#peak 1804 )
&rst
ixpk= 1804, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76,
igr1= 735, 736,
igr2= 744, 745, 746,
&end
#
# 38 PHE QD 43 LEU HB2 6.54 (#peak 1899 )
&rst
ixpk= 1899, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
igr1= 558, 566,
igr2= 618, 619,
&end
#
# 24 ILE HG12 25 GLY HN 3.45 (#peak 1939 )
&rst
ixpk= 1939, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 356, 357,
&end
#
# 38 PHE QD 43 LEU HB3 7.62 (#peak 1943 )
&rst
ixpk= 1943, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 558, 566,
igr2= 619, 618,
&end
#
# 22 GLU HB2 38 PHE QD 7.62 (#peak 1952 )
&rst
ixpk= 1952, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 318, 319,
igr2= 558, 566,
&end
#
# 18 VAL HB 19 SER QB 6.38 (#peak 2040 )
&rst
ixpk= 2040, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 279, 280,
&end
#
# 46 LYS HB2 46 LYS HZ1 3.70 (#peak 2042 )
&rst
ixpk= 2042, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 665, 666,
igr2= 677, 678, 679,
&end
#
# 32 SER HN 33 ILE HG12 5.50 (#peak 2059 )
&rst
ixpk= 2059, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 465, 466,
&end
#
# 29 PRO HG3 30 ASP HN 5.50 (#peak 2062 )
&rst
ixpk= 2062, nxpk= 0, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 412, 411,
&end
#
# 58 GLN HG2 59 GLU HN 5.50 (#peak 2065 )
&rst
ixpk= 2065, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 872, 873,
&end
#
# 26 CYZ HB2 36 PHE QD 7.44 (#peak 2074 )
&rst
ixpk= 2074, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,
igr2= 521, 529,
&end
#
# 51 TRP HE3 52 PHE HA 5.50 (#peak 2080 )
&rst
ixpk= 2080, nxpk= 0, iat= 769, 776, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 CYZ HA 20 TYR HH 5.50 (#peak 2081 )
&rst
ixpk= 2081, nxpk= 0, iat= 186, 299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TYR QD 19 SER QB 8.52 (#peak 2089 )
&rst
ixpk= 2089, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.73, r4=11.23,
igr1= 171, 180,
igr2= 279, 280,
&end
#
# 25 GLY HA1 35 TRP HE3 5.50 (#peak 2092 )
&rst
ixpk= 2092, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 367, 368,
&end
#
# 28 ASP HN 50 LYS HZ1 5.25 (#peak 2093 )
&rst
ixpk= 2093, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 744, 745, 746,
&end
#
# 27 ASP HN 50 LYS HZ1 5.50 (#peak 2094 )
&rst
ixpk= 2094, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 744, 745, 746,
&end
#
# 50 LYS HZ2 52 PHE QD 7.53 (#peak 2097 )
&rst
ixpk= 2097, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.15, r4=10.65,
igr1= 744, 745, 746,
igr2= 782, 790,
&end
#
# 34 GLU HG2 35 TRP HD1 4.72 (#peak 2100 )
&rst
ixpk= 2100, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 481, 482,
&end
#
# 9 GLU QG 10 PRO HD2 6.38 (#peak 2103 )
&rst
ixpk= 2103, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.04, r4= 8.54,
igr1= 127, 128,
igr2= 136, 137,
&end
#
# 51 TRP HD1 52 PHE HN 5.50 (#peak 2110 )
&rst
ixpk= 2110, nxpk= 0, iat= 758, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 PHE QE 43 LEU HB3 7.62 (#peak 2113 )
&rst
ixpk= 2113, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 560, 564,
igr2= 619, 618,
&end
#
# 24 ILE HN 38 PHE QD 7.25 (#peak 2129 )
&rst
ixpk= 2129, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
igr2= 558, 566,
&end
#
# 27 ASP HN 50 LYS QB 6.38 (#peak 2130 )
&rst
ixpk= 2130, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 732, 733,
&end
#
# 27 ASP HN 50 LYS QG 6.38 (#peak 2131 )
&rst
ixpk= 2131, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 735, 736,
&end
#
# 34 GLU HN 34 GLU HG3 5.50 (#peak 2134 )
&rst
ixpk= 2134, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 482, 481,
&end
#
# 33 ILE HG12 34 GLU HN 5.50 (#peak 2135 )
&rst
ixpk= 2135, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 465, 466,
&end
#
# 23 MET HB3 36 PHE HN 5.50 (#peak 2137 )
&rst
ixpk= 2137, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 334, 333,
&end
#
# 22 GLU HB2 38 PHE HN 5.50 (#peak 2139 )
&rst
ixpk= 2139, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 318, 319,
&end
#
# 38 PHE QD 46 LYS HN 7.62 (#peak 2155 )
&rst
ixpk= 2155, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 558, 566,
&end
#
# 52 PHE QD 53 CYSS HN 7.62 (#peak 2168 )
&rst
ixpk= 2168, nxpk= 0, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 782, 790,
&end
#
# 55 ARG HN 55 ARG HG2 5.50 (#peak 2170 )
&rst
ixpk= 2170, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 826, 827,
&end
#
# 62 LYS HN 62 LYS QD 6.38 (#peak 2175 )
&rst
ixpk= 2175, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 953, 954,
&end
#
# 41 VAL HB 51 TRP HZ2 3.48 (#peak 2177 )
&rst
ixpk= 2177, nxpk= 0, iat= 595, 763, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 6 ASP HN 7 PRO QD 6.28 (#peak 2182 )
&rst
ixpk= 2182, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2= 93, 94,
&end
#
# 22 GLU HA 22 GLU HG3 4.23 (#peak 2206 )
&rst
ixpk= 2206, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 322, 321,
&end
#
# 23 MET HA 23 MET HG2 3.92 (#peak 2208 )
&rst
ixpk= 2208, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 336, 337,
&end
#
# 34 GLU HN 34 GLU HG2 5.50 (#peak 2229 )
&rst
ixpk= 2229, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 481, 482,
&end
#
# 48 ARG HG2 49 GLY HN 5.50 (#peak 2244 )
&rst
ixpk= 2244, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 704, 705,
&end
#
# 48 ARG HN 48 ARG QD 6.38 (#peak 2245 )
&rst
ixpk= 2245, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 707, 708,
&end
#
# 48 ARG HN 48 ARG HG2 5.50 (#peak 2246 )
&rst
ixpk= 2246, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 704, 705,
&end
#
# 48 ARG HA 48 ARG HG2 3.55 (#peak 2251 )
&rst
ixpk= 2251, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 704, 705,
&end
#
# 50 LYS HA 50 LYS QD 6.38 (#peak 2255 )
&rst
ixpk= 2255, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 738, 739,
&end
#
# 51 TRP HN 51 TRP HD1 5.50 (#peak 2256 )
&rst
ixpk= 2256, nxpk= 0, iat= 750, 758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLU HB2 59 GLU HG3 2.40 (#peak 2275 )
&rst
ixpk= 2275, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1= 886, 887,
igr2= 890, 889,
&end
#
# 61 LYS HN 61 LYS HG2 5.50 (#peak 2292 )
&rst
ixpk= 2292, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 928, 929,
&end
#
# 62 LYS HN 62 LYS QG 6.38 (#peak 2303 )
&rst
ixpk= 2303, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 950, 951,
&end
#
# 31 CYSS HB2 34 GLU HB2 5.50 (#peak 2339 )
&rst
ixpk= 2339, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 478, 479,
&end
#
# 47 PRO HG2 51 TRP HE1 5.50 (#peak 2348 )
&rst
ixpk= 2348, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 687, 688,
&end
#
# 33 ILE HG13 36 PHE HZ 5.22 (#peak 2383 )
&rst
ixpk= 2383, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 466, 465,
&end
#
# 36 PHE QE 55 ARG HN 7.62 (#peak 2391 )
&rst
ixpk= 2391, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 523, 527,
&end
#
# 26 CYZ HA 36 PHE QE 7.62 (#peak 2392 )
&rst
ixpk= 2392, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 523, 527,
&end
#
# 50 LYS QB 52 PHE QD 8.50 (#peak 2396 )
&rst
ixpk= 2396, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.71, r4=11.21,
igr1= 732, 733,
igr2= 782, 790,
&end
#
# 38 PHE QE 46 LYS HN 7.62 (#peak 2398 )
&rst
ixpk= 2398, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 560, 564,
&end
#
# 19 SER HA 20 TYR QD 7.64 (#peak 2400 )
&rst
ixpk= 2400, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr2= 294, 303,
&end
#
# 22 GLU HG2 38 PHE QE 7.62 (#peak 2407 )
&rst
ixpk= 2407, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 321, 322,
igr2= 560, 564,
&end
#
# 46 LYS HG3 46 LYS HZ1 5.50 (#peak 2410 )
&rst
ixpk= 2410, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 669, 668,
igr2= 677, 678, 679,
&end
#
# 10 PRO HD2 12 TYR QE 7.63 (#peak 2413 )
&rst
ixpk= 2413, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 136, 137,
igr2= 173, 178,
&end
#
# 24 ILE HG12 51 TRP HZ3 5.50 (#peak 2419 )
&rst
ixpk= 2419, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 356, 357,
&end
#
# 24 ILE HG12 38 PHE QD 7.62 (#peak 2422 )
&rst
ixpk= 2422, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 356, 357,
igr2= 558, 566,
&end
#
# 38 PHE HB3 43 LEU HB3 5.50 (#peak 2430 )
&rst
ixpk= 2430, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 555, 554,
igr2= 619, 618,
&end
#
# 37 HIE HB3 40 CYSS HB3 5.50 (#peak 2432 )
&rst
ixpk= 2432, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 538, 537,
&end
#
# 38 PHE HB2 43 LEU HB2 5.50 (#peak 2447 )
&rst
ixpk= 2447, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 554, 555,
igr2= 618, 619,
&end
#
# 52 PHE QD 56 CYSS HB2 7.62 (#peak 2468 )
&rst
ixpk= 2468, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 782, 790,
&end
#
# 13 CYZ HB2 36 PHE HB3 5.50 (#peak 2470 )
&rst
ixpk= 2470, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 518, 517,
&end
#
# 12 TYR HB3 13 CYZ HB2 5.50 (#peak 2471 )
&rst
ixpk= 2471, nxpk= 0, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 168, 167,
&end
#
# 51 TRP HH2 53 CYSS HB2 4.17 (#peak 2484 )
&rst
ixpk= 2484, nxpk= 0, iat= 765, 798, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 24 ILE HG12 38 PHE HA 5.50 (#peak 2490 )
&rst
ixpk= 2490, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 356, 357,
&end
#
# 27 ASP HB3 50 LYS QG 6.38 (#peak 2494 )
&rst
ixpk= 2494, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.04, r4= 8.54,
igr1= 388, 387,
igr2= 735, 736,
&end
#
# 27 ASP HB3 50 LYS QB 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= 388, 387,
igr2= 732, 733,
&end
#
# 12 TYR QD 35 TRP HB2 7.33 (#peak 2501 )
&rst
ixpk= 2501, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1= 171, 180,
&end
#
# 36 PHE HZ 54 PRO HD3 5.50 (#peak 2509 )
&rst
ixpk= 2509, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 807, 806,
&end
#
# 36 PHE HZ 54 PRO HD2 5.50 (#peak 2510 )
&rst
ixpk= 2510, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 806, 807,
&end
#
# 13 CYZ HA 36 PHE HZ 5.50 (#peak 2511 )
&rst
ixpk= 2511, nxpk= 0, iat= 186, 525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TRP HZ2 54 PRO HD2 5.50 (#peak 2512 )
&rst
ixpk= 2512, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 806, 807,
&end
#
# 34 GLU HA 36 PHE QE 7.62 (#peak 2517 )
&rst
ixpk= 2517, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 523, 527,
&end
#
# 16 HIS HN 16 HIS HD2 4.38 (#peak 2519 )
&rst
ixpk= 2519, nxpk= 0, iat= 225, 238, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 23 MET HB3 38 PHE QD 7.62 (#peak 2520 )
&rst
ixpk= 2520, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 334, 333,
igr2= 558, 566,
&end
#
# 16 HIS HN 17 GLN HG2 5.50 (#peak 2533 )
&rst
ixpk= 2533, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 249, 250,
&end
#
# 12 TYR QD 35 TRP HE1 7.64 (#peak 2534 )
&rst
ixpk= 2534, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 171, 180,
&end
#
# 35 TRP HN 35 TRP HE1 5.50 (#peak 2535 )
&rst
ixpk= 2535, nxpk= 0, iat= 489, 499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TYR HB2 35 TRP HE1 5.50 (#peak 2536 )
&rst
ixpk= 2536, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 167, 168,
&end
#
# 15 CYSS HB2 17 GLN HE22 5.50 (#peak 2539 )
&rst
ixpk= 2539, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 255, 254,
&end
#
# 46 LYS HG3 47 PRO HD3 5.50 (#peak 2541 )
&rst
ixpk= 2541, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 669, 668,
igr2= 685, 684,
&end
#
# 28 ASP HB2 31 CYSS HB3 5.00 (#peak 2548 )
&rst
ixpk= 2548, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 399, 400,
&end
#
# 26 CYZ HB2 34 GLU HA 5.50 (#peak 2564 )
&rst
ixpk= 2564, nxpk= 0, iat= 376, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 CYZ HB3 53 CYSS HB2 5.50 (#peak 2566 )
&rst
ixpk= 2566, nxpk= 0, iat= 377, 798, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 TYR HH 36 PHE HA 5.50 (#peak 2569 )
&rst
ixpk= 2569, nxpk= 0, iat= 299, 515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 GLU HB3 38 PHE QD 7.62 (#peak 2571 )
&rst
ixpk= 2571, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 319, 318,
igr2= 558, 566,
&end
#
# 43 LEU QD2 51 TRP HE1 4.39 (#peak 13 )
&rst
ixpk= 13, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 627, 628, 629, 623, 624, 625,
&end
#
# 24 ILE QG2 51 TRP HE1 6.53 (#peak 14 )
&rst
ixpk= 14, 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 HE1 4.42 (#peak 15 )
&rst
ixpk= 15, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 623, 624, 625, 627, 628, 629,
&end
#
# 14 LEU HN 33 ILE QG2 4.79 (#peak 19 )
&rst
ixpk= 19, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 461, 462, 463,
&end
#
# 14 LEU HN 14 LEU QD1 5.63 (#peak 32 )
&rst
ixpk= 32, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 14 LEU HN 33 ILE QD1 6.06 (#peak 33 )
&rst
ixpk= 33, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2= 468, 469, 470,
&end
#
# 18 VAL QG1 24 ILE HN 5.29 (#peak 50 )
&rst
ixpk= 50, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 265, 266, 267, 269, 270, 271,
&end
#
# 24 ILE HN 41 VAL QG2 6.53 (#peak 51 )
&rst
ixpk= 51, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 601, 602, 603, 597, 598, 599,
&end
#
# 24 ILE HN 24 ILE QD1 5.75 (#peak 53 )
&rst
ixpk= 53, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2= 359, 360, 361,
&end
#
# 24 ILE HN 24 ILE QG2 3.58 (#peak 54 )
&rst
ixpk= 54, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 352, 353, 354,
&end
#
# 24 ILE HN 43 LEU QD1 6.53 (#peak 55 )
&rst
ixpk= 55, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 623, 624, 625, 627, 628, 629,
&end
#
# 24 ILE QD1 51 TRP HN 6.53 (#peak 68 )
&rst
ixpk= 68, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 359, 360, 361,
&end
#
# 37 HIE HN 41 VAL QG1 6.53 (#peak 84 )
&rst
ixpk= 84, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 597, 598, 599, 601, 602, 603,
&end
#
# 37 HIE HN 41 VAL QG2 6.09 (#peak 85 )
&rst
ixpk= 85, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
igr2= 601, 602, 603, 597, 598, 599,
&end
#
# 24 ILE QG2 37 HIE HN 6.12 (#peak 86 )
&rst
ixpk= 86, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 352, 353, 354,
&end
#
# 33 ILE QG2 34 GLU HN 4.70 (#peak 98 )
&rst
ixpk= 98, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 461, 462, 463,
&end
#
# 33 ILE QD1 34 GLU HN 5.81 (#peak 99 )
&rst
ixpk= 99, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 468, 469, 470,
&end
#
# 24 ILE QG2 36 PHE HN 4.61 (#peak 111 )
&rst
ixpk= 111, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 352, 353, 354,
&end
#
# 39 ALA HN 39 ALA QB 3.46 (#peak 137 )
&rst
ixpk= 137, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 574, 575, 576,
&end
#
# 39 ALA HN 41 VAL QG2 6.53 (#peak 138 )
&rst
ixpk= 138, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 601, 602, 603, 597, 598, 599,
&end
#
# 18 VAL QG2 19 SER HN 4.42 (#peak 197 )
&rst
ixpk= 197, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 269, 270, 271, 265, 266, 267,
&end
#
# 18 VAL QG1 19 SER HN 4.30 (#peak 198 )
&rst
ixpk= 198, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 265, 266, 267, 269, 270, 271,
&end
#
# 45 THR QG2 46 LYS HN 4.88 (#peak 216 )
&rst
ixpk= 216, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 653, 654, 655,
&end
#
# 5 VAL QG1 6 ASP HN 6.53 (#peak 252 )
&rst
ixpk= 252, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 70, 71, 72, 74, 75, 76,
&end
#
# 5 VAL QG2 6 ASP HN 6.53 (#peak 253 )
&rst
ixpk= 253, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 74, 75, 76, 70, 71, 72,
&end
#
# 33 ILE HN 33 ILE QD1 5.07 (#peak 292 )
&rst
ixpk= 292, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 468, 469, 470,
&end
#
# 33 ILE HN 33 ILE QG2 4.79 (#peak 293 )
&rst
ixpk= 293, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 461, 462, 463,
&end
#
# 24 ILE QG2 38 PHE HN 6.19 (#peak 299 )
&rst
ixpk= 299, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1= 352, 353, 354,
&end
#
# 38 PHE HN 41 VAL QG2 6.37 (#peak 310 )
&rst
ixpk= 310, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 8.59, r4= 9.09,
igr2= 601, 602, 603, 597, 598, 599,
&end
#
# 38 PHE HN 43 LEU QD1 6.53 (#peak 311 )
&rst
ixpk= 311, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 623, 624, 625, 627, 628, 629,
&end
#
# 24 ILE QG2 25 GLY HN 5.10 (#peak 326 )
&rst
ixpk= 326, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 352, 353, 354,
&end
#
# 12 TYR HN 18 VAL QG2 6.43 (#peak 353 )
&rst
ixpk= 353, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 8.67, r4= 9.17,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 11 THR QG2 12 TYR HN 6.25 (#peak 354 )
&rst
ixpk= 354, nxpk= 0, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
igr1= 155, 156, 157,
&end
#
# 18 VAL HN 18 VAL QG2 3.58 (#peak 378 )
&rst
ixpk= 378, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 18 VAL HN 18 VAL QG1 4.85 (#peak 379 )
&rst
ixpk= 379, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2= 265, 266, 267, 269, 270, 271,
&end
#
# 14 LEU QD2 55 ARG HN 6.53 (#peak 400 )
&rst
ixpk= 400, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 208, 209, 210, 204, 205, 206,
&end
#
# 11 THR QG2 17 GLN HN 5.32 (#peak 425 )
&rst
ixpk= 425, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 155, 156, 157,
&end
#
# 33 ILE QG2 35 TRP HN 4.76 (#peak 441 )
&rst
ixpk= 441, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 461, 462, 463,
&end
#
# 33 ILE QD1 36 PHE HZ 4.20 (#peak 465 )
&rst
ixpk= 465, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 468, 469, 470,
&end
#
# 33 ILE QG2 36 PHE HZ 4.14 (#peak 466 )
&rst
ixpk= 466, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 461, 462, 463,
&end
#
# 14 LEU QD2 36 PHE HZ 6.53 (#peak 472 )
&rst
ixpk= 472, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 208, 209, 210, 204, 205, 206,
&end
#
# 41 VAL QG2 43 LEU HN 4.39 (#peak 491 )
&rst
ixpk= 491, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 601, 602, 603, 597, 598, 599,
&end
#
# 43 LEU HN 43 LEU QD2 4.95 (#peak 492 )
&rst
ixpk= 492, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2= 627, 628, 629, 623, 624, 625,
&end
#
# 36 PHE QD 41 VAL QG1 6.45 (#peak 555 )
&rst
ixpk= 555, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
igr1= 521, 529,
igr2= 597, 598, 599, 601, 602, 603,
&end
#
# 33 ILE QG2 36 PHE QD 7.63 (#peak 556 )
&rst
ixpk= 556, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.29, r4=10.79,
igr1= 461, 462, 463,
igr2= 521, 529,
&end
#
# 24 ILE QG2 36 PHE QD 7.32 (#peak 557 )
&rst
ixpk= 557, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.87, r4=10.37,
igr1= 352, 353, 354,
igr2= 521, 529,
&end
#
# 36 PHE QD 41 VAL QG2 8.34 (#peak 571 )
&rst
ixpk= 571, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.62, r4=13.12,
igr1= 521, 529,
igr2= 601, 602, 603, 597, 598, 599,
&end
#
# 39 ALA QB 42 GLY HN 5.94 (#peak 596 )
&rst
ixpk= 596, nxpk= 0, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 574, 575, 576,
&end
#
# 41 VAL QG2 42 GLY HN 4.76 (#peak 598 )
&rst
ixpk= 598, nxpk= 0, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 601, 602, 603, 597, 598, 599,
&end
#
# 44 THR QG2 45 THR HN 6.53 (#peak 619 )
&rst
ixpk= 619, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 639, 640, 641,
&end
#
# 45 THR HN 45 THR QG2 5.29 (#peak 620 )
&rst
ixpk= 620, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 653, 654, 655,
&end
#
# 41 VAL QG2 51 TRP HE3 6.53 (#peak 632 )
&rst
ixpk= 632, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 601, 602, 603, 597, 598, 599,
&end
#
# 24 ILE QD1 51 TRP HE3 4.76 (#peak 634 )
&rst
ixpk= 634, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 359, 360, 361,
&end
#
# 18 VAL QG1 20 TYR HH 5.38 (#peak 647 )
&rst
ixpk= 647, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 265, 266, 267, 269, 270, 271,
&end
#
# 39 ALA QB 40 CYSS HN 4.14 (#peak 665 )
&rst
ixpk= 665, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 574, 575, 576,
&end
#
# 14 LEU QD1 41 VAL HN 6.53 (#peak 666 )
&rst
ixpk= 666, nxpk= 0, iat= -1, 591, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 40 CYSS HN 41 VAL QG1 6.53 (#peak 670 )
&rst
ixpk= 670, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 597, 598, 599, 601, 602, 603,
&end
#
# 40 CYSS HN 41 VAL QG2 5.38 (#peak 675 )
&rst
ixpk= 675, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2= 601, 602, 603, 597, 598, 599,
&end
#
# 14 LEU QD2 36 PHE QE 7.97 (#peak 724 )
&rst
ixpk= 724, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.06, r4=12.56,
igr1= 208, 209, 210, 204, 205, 206,
igr2= 523, 527,
&end
#
# 36 PHE QE 41 VAL QG1 8.18 (#peak 725 )
&rst
ixpk= 725, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.38, r4=12.88,
igr1= 523, 527,
igr2= 597, 598, 599, 601, 602, 603,
&end
#
# 33 ILE QD1 36 PHE QE 7.13 (#peak 726 )
&rst
ixpk= 726, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 468, 469, 470,
igr2= 523, 527,
&end
#
# 33 ILE QG2 36 PHE QE 6.98 (#peak 727 )
&rst
ixpk= 727, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.41, r4= 9.91,
igr1= 461, 462, 463,
igr2= 523, 527,
&end
#
# 13 CYZ HN 33 ILE QD1 6.53 (#peak 745 )
&rst
ixpk= 745, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 468, 469, 470,
&end
#
# 43 LEU QD1 51 TRP HD1 5.04 (#peak 746 )
&rst
ixpk= 746, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 623, 624, 625, 627, 628, 629,
&end
#
# 12 TYR QD 18 VAL QG2 8.67 (#peak 782 )
&rst
ixpk= 782, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.12, r4=13.62,
igr1= 171, 180,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 12 TYR QD 18 VAL QG1 7.15 (#peak 783 )
&rst
ixpk= 783, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.82, r4=11.32,
igr1= 171, 180,
igr2= 265, 266, 267, 269, 270, 271,
&end
#
# 12 TYR QD 33 ILE QG2 8.51 (#peak 784 )
&rst
ixpk= 784, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.47, r4=11.97,
igr1= 171, 180,
igr2= 461, 462, 463,
&end
#
# 41 VAL QG1 51 TRP HZ2 4.57 (#peak 848 )
&rst
ixpk= 848, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 597, 598, 599, 601, 602, 603,
&end
#
# 43 LEU QD1 51 TRP HZ2 4.95 (#peak 850 )
&rst
ixpk= 850, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 623, 624, 625, 627, 628, 629,
&end
#
# 38 PHE QE 43 LEU QD2 8.65 (#peak 875 )
&rst
ixpk= 875, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
igr1= 560, 564,
igr2= 627, 628, 629, 623, 624, 625,
&end
#
# 38 PHE QE 43 LEU QD1 7.53 (#peak 877 )
&rst
ixpk= 877, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.39, r4=11.89,
igr1= 560, 564,
igr2= 623, 624, 625, 627, 628, 629,
&end
#
# 12 TYR QE 18 VAL QG1 8.57 (#peak 921 )
&rst
ixpk= 921, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.97, r4=13.47,
igr1= 173, 178,
igr2= 265, 266, 267, 269, 270, 271,
&end
#
# 38 PHE QD 41 VAL QG2 8.53 (#peak 941 )
&rst
ixpk= 941, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.91, r4=13.41,
igr1= 558, 566,
igr2= 601, 602, 603, 597, 598, 599,
&end
#
# 38 PHE QD 43 LEU QD2 8.65 (#peak 942 )
&rst
ixpk= 942, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
igr1= 558, 566,
igr2= 627, 628, 629, 623, 624, 625,
&end
#
# 24 ILE QD1 38 PHE QD 8.62 (#peak 945 )
&rst
ixpk= 945, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.62, r4=12.12,
igr1= 359, 360, 361,
igr2= 558, 566,
&end
#
# 24 ILE QG2 38 PHE QD 7.04 (#peak 946 )
&rst
ixpk= 946, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.49, r4= 9.99,
igr1= 352, 353, 354,
igr2= 558, 566,
&end
#
# 38 PHE QD 43 LEU QD1 7.29 (#peak 947 )
&rst
ixpk= 947, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.03, r4=11.53,
igr1= 558, 566,
igr2= 623, 624, 625, 627, 628, 629,
&end
#
# 18 VAL QG1 20 TYR QE 8.16 (#peak 962 )
&rst
ixpk= 962, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr1= 265, 266, 267, 269, 270, 271,
igr2= 296, 301,
&end
#
# 41 VAL QG1 51 TRP HZ3 5.41 (#peak 976 )
&rst
ixpk= 976, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1= 597, 598, 599, 601, 602, 603,
&end
#
# 41 VAL QG2 51 TRP HZ3 6.25 (#peak 977 )
&rst
ixpk= 977, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 601, 602, 603, 597, 598, 599,
&end
#
# 24 ILE QD1 51 TRP HZ3 6.25 (#peak 978 )
&rst
ixpk= 978, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
igr1= 359, 360, 361,
&end
#
# 24 ILE QG2 51 TRP HZ3 4.48 (#peak 979 )
&rst
ixpk= 979, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 352, 353, 354,
&end
#
# 41 VAL QG1 51 TRP HH2 4.14 (#peak 997 )
&rst
ixpk= 997, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 597, 598, 599, 601, 602, 603,
&end
#
# 24 ILE QG2 51 TRP HH2 5.04 (#peak 999 )
&rst
ixpk= 999, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 352, 353, 354,
&end
#
# 33 ILE HA 33 ILE QD1 6.09 (#peak 1043 )
&rst
ixpk= 1043, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr2= 468, 469, 470,
&end
#
# 43 LEU QD2 47 PRO HD3 4.64 (#peak 1178 )
&rst
ixpk= 1178, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 627, 628, 629, 623, 624, 625,
igr2= 685, 684,
&end
#
# 24 ILE QD1 47 PRO HD3 4.20 (#peak 1179 )
&rst
ixpk= 1179, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 359, 360, 361,
igr2= 685, 684,
&end
#
# 14 LEU QD1 54 PRO HD2 5.63 (#peak 1194 )
&rst
ixpk= 1194, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02,
igr1= 204, 205, 206, 208, 209, 210,
igr2= 806, 807,
&end
#
# 41 VAL QG1 54 PRO HD2 5.32 (#peak 1196 )
&rst
ixpk= 1196, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr1= 597, 598, 599, 601, 602, 603,
igr2= 806, 807,
&end
#
# 41 VAL QG2 54 PRO HD2 6.53 (#peak 1202 )
&rst
ixpk= 1202, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
igr1= 601, 602, 603, 597, 598, 599,
igr2= 806, 807,
&end
#
# 40 CYSS HB2 41 VAL QG2 5.91 (#peak 1236 )
&rst
ixpk= 1236, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
igr2= 601, 602, 603, 597, 598, 599,
&end
#
# 40 CYSS HB2 41 VAL QG1 5.54 (#peak 1244 )
&rst
ixpk= 1244, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr2= 597, 598, 599, 601, 602, 603,
&end
#
# 33 ILE QD1 55 ARG QD 7.40 (#peak 1253 )
&rst
ixpk= 1253, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.98, r4=10.48,
igr1= 468, 469, 470,
igr2= 829, 830,
&end
#
# 24 ILE QG2 36 PHE HB3 4.45 (#peak 1271 )
&rst
ixpk= 1271, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 352, 353, 354,
igr2= 518, 517,
&end
#
# 36 PHE HB3 41 VAL QG1 6.50 (#peak 1279 )
&rst
ixpk= 1279, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 518, 517,
igr2= 597, 598, 599, 601, 602, 603,
&end
#
# 24 ILE QD1 51 TRP HB3 5.19 (#peak 1290 )
&rst
ixpk= 1290, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 359, 360, 361,
&end
#
# 14 LEU QD1 15 CYSS HB2 6.19 (#peak 1295 )
&rst
ixpk= 1295, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 12 TYR HB3 18 VAL QG1 6.53 (#peak 1304 )
&rst
ixpk= 1304, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
igr1= 168, 167,
igr2= 265, 266, 267, 269, 270, 271,
&end
#
# 38 PHE HB2 39 ALA QB 6.53 (#peak 1307 )
&rst
ixpk= 1307, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 554, 555,
igr2= 574, 575, 576,
&end
#
# 24 ILE QD1 51 TRP HB2 4.79 (#peak 1404 )
&rst
ixpk= 1404, nxpk= 0, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 359, 360, 361,
&end
#
# 18 VAL QG2 35 TRP HB2 5.29 (#peak 1450 )
&rst
ixpk= 1450, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 269, 270, 271, 265, 266, 267,
&end
#
# 18 VAL QG1 35 TRP HB2 5.07 (#peak 1453 )
&rst
ixpk= 1453, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 265, 266, 267, 269, 270, 271,
&end
#
# 43 LEU QD2 47 PRO HB3 5.81 (#peak 1513 )
&rst
ixpk= 1513, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.79, r4= 9.29,
igr1= 627, 628, 629, 623, 624, 625,
igr2= 691, 690,
&end
#
# 18 VAL QG1 23 MET HG3 5.32 (#peak 1548 )
&rst
ixpk= 1548, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr1= 265, 266, 267, 269, 270, 271,
igr2= 337, 336,
&end
#
# 14 LEU HG 33 ILE QD1 6.53 (#peak 1549 )
&rst
ixpk= 1549, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 468, 469, 470,
&end
#
# 12 TYR HB2 18 VAL QG2 6.53 (#peak 1587 )
&rst
ixpk= 1587, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
igr1= 167, 168,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 12 TYR HB2 33 ILE QG2 5.38 (#peak 1593 )
&rst
ixpk= 1593, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 167, 168,
igr2= 461, 462, 463,
&end
#
# 43 LEU QD2 47 PRO HG2 6.09 (#peak 1664 )
&rst
ixpk= 1664, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
igr1= 627, 628, 629, 623, 624, 625,
igr2= 687, 688,
&end
#
# 43 LEU QD1 47 PRO HG3 4.64 (#peak 1692 )
&rst
ixpk= 1692, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 623, 624, 625, 627, 628, 629,
igr2= 688, 687,
&end
#
# 18 VAL QG1 23 MET HB3 5.10 (#peak 1698 )
&rst
ixpk= 1698, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1= 265, 266, 267, 269, 270, 271,
igr2= 334, 333,
&end
#
# 23 MET HB3 24 ILE QG2 6.53 (#peak 1699 )
&rst
ixpk= 1699, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 334, 333,
igr2= 352, 353, 354,
&end
#
# 33 ILE QG2 33 ILE HG12 3.92 (#peak 1721 )
&rst
ixpk= 1721, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 461, 462, 463,
igr2= 465, 466,
&end
#
# 38 PHE HN 39 ALA QB 5.85 (#peak 1743 )
&rst
ixpk= 1743, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2= 574, 575, 576,
&end
#
# 39 ALA QB 43 LEU HN 6.19 (#peak 1745 )
&rst
ixpk= 1745, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1= 574, 575, 576,
&end
#
# 37 HIE HB2 39 ALA QB 6.40 (#peak 1747 )
&rst
ixpk= 1747, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.63, r4= 9.13,
igr1= 537, 538,
igr2= 574, 575, 576,
&end
#
# 39 ALA QB 44 THR QG2 7.56 (#peak 1748 )
&rst
ixpk= 1748, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 574, 575, 576,
igr2= 639, 640, 641,
&end
#
# 24 ILE HB 24 ILE QD1 3.80 (#peak 1795 )
&rst
ixpk= 1795, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 359, 360, 361,
&end
#
# 24 ILE HB 43 LEU QD1 4.76 (#peak 1797 )
&rst
ixpk= 1797, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2= 623, 624, 625, 627, 628, 629,
&end
#
# 44 THR HA 44 THR QG2 3.80 (#peak 1821 )
&rst
ixpk= 1821, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 639, 640, 641,
&end
#
# 14 LEU QD2 33 ILE QD1 6.38 (#peak 1824 )
&rst
ixpk= 1824, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.33, r4=10.83,
igr1= 208, 209, 210, 204, 205, 206,
igr2= 468, 469, 470,
&end
#
# 14 LEU QD1 36 PHE QD 8.65 (#peak 1827 )
&rst
ixpk= 1827, 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= 521, 529,
&end
#
# 14 LEU QD1 15 CYSS HN 6.40 (#peak 1828 )
&rst
ixpk= 1828, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 8.63, r4= 9.13,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 45 THR HA 45 THR QG2 4.14 (#peak 1832 )
&rst
ixpk= 1832, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 653, 654, 655,
&end
#
# 17 GLN HA 18 VAL QG2 5.04 (#peak 1836 )
&rst
ixpk= 1836, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 18 VAL HA 18 VAL QG2 3.68 (#peak 1837 )
&rst
ixpk= 1837, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 33 ILE QG2 33 ILE HG13 4.02 (#peak 1844 )
&rst
ixpk= 1844, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 461, 462, 463,
igr2= 466, 465,
&end
#
# 18 VAL QG1 36 PHE HN 5.19 (#peak 1845 )
&rst
ixpk= 1845, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 265, 266, 267, 269, 270, 271,
&end
#
# 18 VAL QG1 23 MET HA 6.53 (#peak 1849 )
&rst
ixpk= 1849, nxpk= 0, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 265, 266, 267, 269, 270, 271,
&end
#
# 18 VAL QG1 37 HIE HA 5.41 (#peak 1850 )
&rst
ixpk= 1850, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1= 265, 266, 267, 269, 270, 271,
&end
#
# 18 VAL QG1 24 ILE QG2 7.56 (#peak 1852 )
&rst
ixpk= 1852, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
igr1= 265, 266, 267, 269, 270, 271,
igr2= 352, 353, 354,
&end
#
# 18 VAL QG1 20 TYR HN 4.98 (#peak 1857 )
&rst
ixpk= 1857, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 265, 266, 267, 269, 270, 271,
&end
#
# 13 CYZ HN 18 VAL QG1 5.63 (#peak 1858 )
&rst
ixpk= 1858, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
igr2= 265, 266, 267, 269, 270, 271,
&end
#
# 18 VAL QG1 35 TRP HD1 6.53 (#peak 1861 )
&rst
ixpk= 1861, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 265, 266, 267, 269, 270, 271,
&end
#
# 18 VAL QG1 36 PHE HA 5.26 (#peak 1863 )
&rst
ixpk= 1863, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 265, 266, 267, 269, 270, 271,
&end
#
# 18 VAL QG1 19 SER HA 4.33 (#peak 1864 )
&rst
ixpk= 1864, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 265, 266, 267, 269, 270, 271,
&end
#
# 18 VAL QG1 35 TRP HB3 4.23 (#peak 1865 )
&rst
ixpk= 1865, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 265, 266, 267, 269, 270, 271,
&end
#
# 11 THR QG2 17 GLN QB 7.40 (#peak 1867 )
&rst
ixpk= 1867, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.98, r4=10.48,
igr1= 155, 156, 157,
igr2= 246, 247,
&end
#
# 11 THR QG2 17 GLN HA 4.08 (#peak 1869 )
&rst
ixpk= 1869, nxpk= 0, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 155, 156, 157,
&end
#
# 10 PRO HA 11 THR QG2 5.44 (#peak 1872 )
&rst
ixpk= 1872, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 155, 156, 157,
&end
#
# 41 VAL HA 41 VAL QG1 3.74 (#peak 1876 )
&rst
ixpk= 1876, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 597, 598, 599, 601, 602, 603,
&end
#
# 41 VAL QG1 54 PRO HG2 6.25 (#peak 1877 )
&rst
ixpk= 1877, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.46, r4= 9.96,
igr1= 597, 598, 599, 601, 602, 603,
igr2= 809, 810,
&end
#
# 41 VAL QG1 54 PRO HG3 5.54 (#peak 1878 )
&rst
ixpk= 1878, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
igr1= 597, 598, 599, 601, 602, 603,
igr2= 810, 809,
&end
#
# 41 VAL QG1 51 TRP HE1 5.78 (#peak 1881 )
&rst
ixpk= 1881, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 597, 598, 599, 601, 602, 603,
&end
#
# 14 LEU QD1 41 VAL QG1 6.44 (#peak 1883 )
&rst
ixpk= 1883, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.70, r4=12.20,
igr1= 204, 205, 206, 208, 209, 210,
igr2= 597, 598, 599, 601, 602, 603,
&end
#
# 5 VAL HN 5 VAL QG2 4.61 (#peak 1884 )
&rst
ixpk= 1884, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 74, 75, 76, 70, 71, 72,
&end
#
# 14 LEU HA 33 ILE QD1 5.44 (#peak 1888 )
&rst
ixpk= 1888, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 468, 469, 470,
&end
#
# 33 ILE QG2 33 ILE QD1 5.29 (#peak 1893 )
&rst
ixpk= 1893, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 461, 462, 463,
igr2= 468, 469, 470,
&end
#
# 43 LEU HB2 43 LEU QD1 3.77 (#peak 1905 )
&rst
ixpk= 1905, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 618, 619,
igr2= 623, 624, 625, 627, 628, 629,
&end
#
# 41 VAL QG2 51 TRP HE1 5.10 (#peak 1906 )
&rst
ixpk= 1906, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 601, 602, 603, 597, 598, 599,
&end
#
# 41 VAL HN 41 VAL QG2 3.64 (#peak 1910 )
&rst
ixpk= 1910, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 601, 602, 603, 597, 598, 599,
&end
#
# 41 VAL QG2 51 TRP HZ2 3.80 (#peak 1911 )
&rst
ixpk= 1911, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 601, 602, 603, 597, 598, 599,
&end
#
# 41 VAL QG2 51 TRP HH2 4.57 (#peak 1913 )
&rst
ixpk= 1913, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 601, 602, 603, 597, 598, 599,
&end
#
# 38 PHE HA 41 VAL QG2 4.02 (#peak 1915 )
&rst
ixpk= 1915, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 601, 602, 603, 597, 598, 599,
&end
#
# 41 VAL QG2 43 LEU HG 3.61 (#peak 1917 )
&rst
ixpk= 1917, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 601, 602, 603, 597, 598, 599,
&end
#
# 41 VAL QG2 43 LEU QD2 6.87 (#peak 1919 )
&rst
ixpk= 1919, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.48, r4=12.98,
igr1= 601, 602, 603, 597, 598, 599,
igr2= 627, 628, 629, 623, 624, 625,
&end
#
# 24 ILE QD1 41 VAL QG2 7.56 (#peak 1921 )
&rst
ixpk= 1921, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
igr1= 359, 360, 361,
igr2= 601, 602, 603, 597, 598, 599,
&end
#
# 41 VAL QG2 43 LEU QD1 5.51 (#peak 1923 )
&rst
ixpk= 1923, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.01, r4=10.51,
igr1= 601, 602, 603, 597, 598, 599,
igr2= 623, 624, 625, 627, 628, 629,
&end
#
# 43 LEU HA 43 LEU QD2 3.61 (#peak 1927 )
&rst
ixpk= 1927, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 627, 628, 629, 623, 624, 625,
&end
#
# 38 PHE HA 43 LEU QD2 6.31 (#peak 1928 )
&rst
ixpk= 1928, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 8.51, r4= 9.01,
igr2= 627, 628, 629, 623, 624, 625,
&end
#
# 43 LEU HB3 43 LEU QD2 4.08 (#peak 1947 )
&rst
ixpk= 1947, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 619, 618,
igr2= 627, 628, 629, 623, 624, 625,
&end
#
# 43 LEU HB3 43 LEU QD1 3.68 (#peak 1948 )
&rst
ixpk= 1948, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 619, 618,
igr2= 623, 624, 625, 627, 628, 629,
&end
#
# 13 CYZ HN 33 ILE QG2 3.99 (#peak 1964 )
&rst
ixpk= 1964, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 461, 462, 463,
&end
#
# 12 TYR HA 33 ILE QG2 4.92 (#peak 1965 )
&rst
ixpk= 1965, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 461, 462, 463,
&end
#
# 33 ILE QG2 36 PHE HA 6.40 (#peak 1966 )
&rst
ixpk= 1966, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1= 461, 462, 463,
&end
#
# 14 LEU HA 33 ILE QG2 5.88 (#peak 1967 )
&rst
ixpk= 1967, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2= 461, 462, 463,
&end
#
# 33 ILE HA 33 ILE QG2 3.89 (#peak 1968 )
&rst
ixpk= 1968, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 461, 462, 463,
&end
#
# 13 CYZ HA 33 ILE QG2 3.92 (#peak 1969 )
&rst
ixpk= 1969, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 461, 462, 463,
&end
#
# 13 CYZ HB2 33 ILE QG2 5.63 (#peak 1970 )
&rst
ixpk= 1970, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2= 461, 462, 463,
&end
#
# 24 ILE QD1 38 PHE QE 7.07 (#peak 1977 )
&rst
ixpk= 1977, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1= 359, 360, 361,
igr2= 560, 564,
&end
#
# 24 ILE QD1 46 LYS HA 4.39 (#peak 1978 )
&rst
ixpk= 1978, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 359, 360, 361,
&end
#
# 24 ILE QD1 47 PRO HD2 3.80 (#peak 1980 )
&rst
ixpk= 1980, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 359, 360, 361,
igr2= 684, 685,
&end
#
# 12 TYR HB3 33 ILE QG2 4.82 (#peak 1982 )
&rst
ixpk= 1982, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 168, 167,
igr2= 461, 462, 463,
&end
#
# 24 ILE QD1 47 PRO HB2 6.53 (#peak 1984 )
&rst
ixpk= 1984, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 359, 360, 361,
igr2= 690, 691,
&end
#
# 24 ILE QD1 47 PRO HG2 5.91 (#peak 1985 )
&rst
ixpk= 1985, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
igr1= 359, 360, 361,
igr2= 687, 688,
&end
#
# 24 ILE QD1 46 LYS HG2 4.73 (#peak 1986 )
&rst
ixpk= 1986, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 359, 360, 361,
igr2= 668, 669,
&end
#
# 24 ILE QD1 43 LEU QD2 7.56 (#peak 1988 )
&rst
ixpk= 1988, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
igr1= 359, 360, 361,
igr2= 627, 628, 629, 623, 624, 625,
&end
#
# 24 ILE QD1 25 GLY HN 4.70 (#peak 1991 )
&rst
ixpk= 1991, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 359, 360, 361,
&end
#
# 24 ILE HA 24 ILE QD1 6.12 (#peak 1993 )
&rst
ixpk= 1993, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr2= 359, 360, 361,
&end
#
# 24 ILE QG2 51 TRP HE3 5.23 (#peak 2000 )
&rst
ixpk= 2000, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 352, 353, 354,
&end
#
# 24 ILE QG2 51 TRP HZ2 5.16 (#peak 2001 )
&rst
ixpk= 2001, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 352, 353, 354,
&end
#
# 24 ILE QG2 38 PHE QE 7.56 (#peak 2002 )
&rst
ixpk= 2002, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 352, 353, 354,
igr2= 560, 564,
&end
#
# 24 ILE QG2 38 PHE HA 5.13 (#peak 2005 )
&rst
ixpk= 2005, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 352, 353, 354,
&end
#
# 24 ILE QG2 54 PRO HD2 6.28 (#peak 2006 )
&rst
ixpk= 2006, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 352, 353, 354,
igr2= 806, 807,
&end
#
# 24 ILE QG2 36 PHE HB2 3.89 (#peak 2008 )
&rst
ixpk= 2008, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 352, 353, 354,
igr2= 517, 518,
&end
#
# 24 ILE QG2 24 ILE HG13 4.14 (#peak 2010 )
&rst
ixpk= 2010, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 352, 353, 354,
igr2= 357, 356,
&end
#
# 24 ILE QG2 41 VAL QG1 7.40 (#peak 2011 )
&rst
ixpk= 2011, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.98, r4=12.48,
igr1= 352, 353, 354,
igr2= 597, 598, 599, 601, 602, 603,
&end
#
# 24 ILE QG2 41 VAL QG2 5.73 (#peak 2012 )
&rst
ixpk= 2012, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.28, r4= 9.78,
igr1= 352, 353, 354,
igr2= 601, 602, 603, 597, 598, 599,
&end
#
# 24 ILE QG2 43 LEU QD2 7.56 (#peak 2013 )
&rst
ixpk= 2013, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
igr1= 352, 353, 354,
igr2= 627, 628, 629, 623, 624, 625,
&end
#
# 24 ILE QG2 24 ILE HG12 3.74 (#peak 2014 )
&rst
ixpk= 2014, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 352, 353, 354,
igr2= 356, 357,
&end
#
# 24 ILE QG2 24 ILE QD1 5.51 (#peak 2015 )
&rst
ixpk= 2015, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr1= 352, 353, 354,
igr2= 359, 360, 361,
&end
#
# 24 ILE QG2 43 LEU QD1 5.45 (#peak 2016 )
&rst
ixpk= 2016, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 352, 353, 354,
igr2= 623, 624, 625, 627, 628, 629,
&end
#
# 43 LEU HN 43 LEU QD1 5.29 (#peak 2018 )
&rst
ixpk= 2018, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2= 623, 624, 625, 627, 628, 629,
&end
#
# 43 LEU QD1 46 LYS HA 5.13 (#peak 2023 )
&rst
ixpk= 2023, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 623, 624, 625, 627, 628, 629,
&end
#
# 38 PHE HA 43 LEU QD1 4.48 (#peak 2024 )
&rst
ixpk= 2024, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 623, 624, 625, 627, 628, 629,
&end
#
# 43 LEU QD1 47 PRO HD3 4.20 (#peak 2025 )
&rst
ixpk= 2025, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 623, 624, 625, 627, 628, 629,
igr2= 685, 684,
&end
#
# 43 LEU QD1 47 PRO HD2 4.61 (#peak 2026 )
&rst
ixpk= 2026, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 623, 624, 625, 627, 628, 629,
igr2= 684, 685,
&end
#
# 43 LEU QD1 47 PRO HB2 6.50 (#peak 2027 )
&rst
ixpk= 2027, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 623, 624, 625, 627, 628, 629,
igr2= 690, 691,
&end
#
# 41 VAL QG1 43 LEU QD1 7.56 (#peak 2031 )
&rst
ixpk= 2031, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.74, r4=14.24,
igr1= 597, 598, 599, 601, 602, 603,
igr2= 623, 624, 625, 627, 628, 629,
&end
#
# 24 ILE QD1 43 LEU QD1 5.63 (#peak 2036 )
&rst
ixpk= 2036, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.11, r4= 9.61,
igr1= 359, 360, 361,
igr2= 623, 624, 625, 627, 628, 629,
&end
#
# 14 LEU HB3 33 ILE QD1 6.53 (#peak 2044 )
&rst
ixpk= 2044, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 200, 199,
igr2= 468, 469, 470,
&end
#
# 18 VAL QG1 37 HIE HN 6.53 (#peak 2052 )
&rst
ixpk= 2052, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 265, 266, 267, 269, 270, 271,
&end
#
# 41 VAL QG1 42 GLY HN 6.53 (#peak 2077 )
&rst
ixpk= 2077, nxpk= 0, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 597, 598, 599, 601, 602, 603,
&end
#
# 18 VAL QG1 20 TYR QD 8.67 (#peak 2114 )
&rst
ixpk= 2114, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.12, r4=13.62,
igr1= 265, 266, 267, 269, 270, 271,
igr2= 294, 303,
&end
#
# 43 LEU QD2 47 PRO HG3 6.34 (#peak 2115 )
&rst
ixpk= 2115, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.59, r4=10.09,
igr1= 627, 628, 629, 623, 624, 625,
igr2= 688, 687,
&end
#
# 43 LEU QD2 51 TRP HD1 4.82 (#peak 2124 )
&rst
ixpk= 2124, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 627, 628, 629, 623, 624, 625,
&end
#
# 15 CYSS HN 33 ILE QG2 6.53 (#peak 2126 )
&rst
ixpk= 2126, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 461, 462, 463,
&end
#
# 43 LEU QD2 45 THR HN 6.25 (#peak 2154 )
&rst
ixpk= 2154, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 627, 628, 629, 623, 624, 625,
&end
#
# 18 VAL QG1 37 HIE HD2 6.53 (#peak 2163 )
&rst
ixpk= 2163, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 265, 266, 267, 269, 270, 271,
&end
#
# 11 THR HN 11 THR QG2 4.36 (#peak 2193 )
&rst
ixpk= 2193, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 155, 156, 157,
&end
#
# 33 ILE HB 33 ILE QD1 3.74 (#peak 2228 )
&rst
ixpk= 2228, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 468, 469, 470,
&end
#
# 41 VAL HN 41 VAL QG1 6.34 (#peak 2236 )
&rst
ixpk= 2236, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2= 597, 598, 599, 601, 602, 603,
&end
#
# 14 LEU QD1 54 PRO HB2 6.53 (#peak 2342 )
&rst
ixpk= 2342, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
igr1= 204, 205, 206, 208, 209, 210,
igr2= 812, 813,
&end
#
# 5 VAL HN 5 VAL QG1 6.53 (#peak 2346 )
&rst
ixpk= 2346, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 70, 71, 72, 74, 75, 76,
&end
#
# 14 LEU QD2 36 PHE QD 8.65 (#peak 2352 )
&rst
ixpk= 2352, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
igr1= 208, 209, 210, 204, 205, 206,
igr2= 521, 529,
&end
#
# 14 LEU QD1 15 CYSS HA 6.34 (#peak 2354 )
&rst
ixpk= 2354, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 14 LEU QD1 41 VAL HA 6.53 (#peak 2355 )
&rst
ixpk= 2355, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 14 LEU HA 14 LEU QD2 4.26 (#peak 2356 )
&rst
ixpk= 2356, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 208, 209, 210, 204, 205, 206,
&end
#
# 14 LEU QD1 40 CYSS HB2 5.85 (#peak 2357 )
&rst
ixpk= 2357, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 14 LEU QD2 33 ILE QG2 7.56 (#peak 2360 )
&rst
ixpk= 2360, 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= 461, 462, 463,
&end
#
# 18 VAL QG1 23 MET HG2 6.53 (#peak 2365 )
&rst
ixpk= 2365, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
igr1= 265, 266, 267, 269, 270, 271,
igr2= 336, 337,
&end
#
# 14 LEU HN 14 LEU QD2 5.60 (#peak 2368 )
&rst
ixpk= 2368, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr2= 208, 209, 210, 204, 205, 206,
&end
#
# 14 LEU QD1 37 HIE HN 6.53 (#peak 2369 )
&rst
ixpk= 2369, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 14 LEU QD2 55 ARG QD 7.40 (#peak 2373 )
&rst
ixpk= 2373, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
igr1= 208, 209, 210, 204, 205, 206,
igr2= 829, 830,
&end
#
# 14 LEU QD2 55 ARG HG3 6.53 (#peak 2374 )
&rst
ixpk= 2374, 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= 827, 826,
&end
#
# 33 ILE QD1 36 PHE QD 8.65 (#peak 2381 )
&rst
ixpk= 2381, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
igr1= 468, 469, 470,
igr2= 521, 529,
&end
#
# 11 THR HN 18 VAL QG2 6.53 (#peak 2382 )
&rst
ixpk= 2382, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 18 VAL QG1 35 TRP HN 6.53 (#peak 2384 )
&rst
ixpk= 2384, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 265, 266, 267, 269, 270, 271,
&end
#
# 24 ILE QG2 41 VAL HN 6.53 (#peak 2387 )
&rst
ixpk= 2387, nxpk= 0, iat= -1, 591, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 352, 353, 354,
&end
#
# 41 VAL HN 43 LEU QD1 6.47 (#peak 2388 )
&rst
ixpk= 2388, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22,
igr2= 623, 624, 625, 627, 628, 629,
&end
#
# 24 ILE QG2 51 TRP HD1 6.53 (#peak 2389 )
&rst
ixpk= 2389, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 352, 353, 354,
&end
#
# 43 LEU QD1 51 TRP HE3 6.53 (#peak 2390 )
&rst
ixpk= 2390, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 623, 624, 625, 627, 628, 629,
&end
#
# 18 VAL QG1 35 TRP HE3 5.38 (#peak 2403 )
&rst
ixpk= 2403, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 265, 266, 267, 269, 270, 271,
&end
#
# 12 TYR QE 18 VAL QG2 8.66 (#peak 2404 )
&rst
ixpk= 2404, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.10, r4=13.60,
igr1= 173, 178,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 38 PHE QE 45 THR QG2 8.65 (#peak 2405 )
&rst
ixpk= 2405, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
igr1= 560, 564,
igr2= 653, 654, 655,
&end
#
# 12 TYR QE 33 ILE QG2 8.66 (#peak 2420 )
&rst
ixpk= 2420, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.67, r4=12.17,
igr1= 173, 178,
igr2= 461, 462, 463,
&end
#
# 43 LEU QD2 51 TRP HZ2 6.53 (#peak 2421 )
&rst
ixpk= 2421, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 627, 628, 629, 623, 624, 625,
&end
#
# 38 PHE HB3 43 LEU QD1 6.53 (#peak 2434 )
&rst
ixpk= 2434, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
igr1= 555, 554,
igr2= 623, 624, 625, 627, 628, 629,
&end
#
# 24 ILE QG2 41 VAL HB 6.34 (#peak 2456 )
&rst
ixpk= 2456, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 352, 353, 354,
&end
#
# 13 CYZ HB2 18 VAL QG1 6.19 (#peak 2473 )
&rst
ixpk= 2473, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr2= 265, 266, 267, 269, 270, 271,
&end
#
# 38 PHE HB3 39 ALA QB 6.53 (#peak 2488 )
&rst
ixpk= 2488, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 555, 554,
igr2= 574, 575, 576,
&end
#
# 43 LEU QD1 47 PRO HG2 6.12 (#peak 2493 )
&rst
ixpk= 2493, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.26, r4= 9.76,
igr1= 623, 624, 625, 627, 628, 629,
igr2= 687, 688,
&end
#
# 18 VAL QG1 38 PHE HN 6.53 (#peak 2496 )
&rst
ixpk= 2496, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 265, 266, 267, 269, 270, 271,
&end
#
# 24 ILE QG2 35 TRP HE3 6.53 (#peak 2500 )
&rst
ixpk= 2500, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 352, 353, 354,
&end
#
# 41 VAL HB 43 LEU QD1 5.97 (#peak 2507 )
&rst
ixpk= 2507, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr2= 623, 624, 625, 627, 628, 629,
&end
#
# 25 GLY HN 43 LEU QD1 6.53 (#peak 2513 )
&rst
ixpk= 2513, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 623, 624, 625, 627, 628, 629,
&end
#
# 24 ILE QG2 26 CYZ HN 6.53 (#peak 2514 )
&rst
ixpk= 2514, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 352, 353, 354,
&end
#
# 26 CYZ HN 33 ILE QG2 6.53 (#peak 2515 )
&rst
ixpk= 2515, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 461, 462, 463,
&end
#
# 41 VAL QG2 51 TRP HD1 6.53 (#peak 2518 )
&rst
ixpk= 2518, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 601, 602, 603, 597, 598, 599,
&end
#
# 43 LEU QD2 47 PRO HD2 5.63 (#peak 2545 )
&rst
ixpk= 2545, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02,
igr1= 627, 628, 629, 623, 624, 625,
igr2= 684, 685,
&end
#
# 18 VAL QG1 35 TRP HA 5.50 (#peak 2557 )
&rst
ixpk= 2557, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 265, 266, 267, 269, 270, 271,
&end
#
# 43 LEU QD1 51 TRP HH2 6.53 (#peak 2558 )
&rst
ixpk= 2558, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 623, 624, 625, 627, 628, 629,
&end
#
# 33 ILE QG2 51 TRP HH2 6.53 (#peak 2559 )
&rst
ixpk= 2559, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 461, 462, 463,
&end
#
# 38 PHE HB3 43 LEU QD2 6.53 (#peak 2565 )
&rst
ixpk= 2565, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
igr1= 555, 554,
igr2= 627, 628, 629, 623, 624, 625,
&end
#
# 43 LEU QD2 44 THR HN 6.53 (#peak 2572 )
&rst
ixpk= 2572, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 627, 628, 629, 623, 624, 625,
&end
#
# 44 THR HN 44 THR QG2 6.53 (#peak 2573 )
&rst
ixpk= 2573, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 639, 640, 641,
&end
#
# 15 CYSS SG 13 CYZ Zn 3.40
&rst
ixpk= 2573, nxpk= 0, iat= 220, 191, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 37 HIE ND1 13 CYZ Zn 3.40
&rst
ixpk= 2573, nxpk= 0, iat= 540, 191, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 40 CYSS SG 13 CYZ Zn 3.40
&rst
ixpk= 2573, nxpk= 0, iat= 586, 191, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 31 CYSS SG 26 CYZ Zn 3.40
&rst
ixpk= 2573, nxpk= 0, iat= 439, 379, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 53 CYSS SG 26 CYZ Zn 3.40
&rst
ixpk= 2573, nxpk= 0, iat= 800, 379, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 56 CYSS SG 26 CYZ Zn 3.40
&rst
ixpk= 2573, nxpk= 0, iat= 849, 379, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
Contact the webmaster for help, if required. Tuesday, April 30, 2024 12:10:20 PM GMT (wattos1)