NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
492900 |
2rn5   |
11016 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 19 TYR H 19 TYR HA 3.20 (#peak 2)
&rst
ixpk= 2, nxpk= 0, iat= 268, 270, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 127 THR H 127 THR HB 4.14 (#peak 5)
&rst
ixpk= 5, nxpk= 0, iat= 723, 727, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 118 VAL H 118 VAL HA 2.87 (#peak 18)
&rst
ixpk= 18, nxpk= 0, iat= 583, 585, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 113 GLU H 113 GLU HB2 2.98 (#peak 28)
&rst
ixpk= 28, nxpk= 0, iat= 499, 503, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 112 VAL HB 113 GLU H 2.69 (#peak 29)
&rst
ixpk= 29, nxpk= 0, iat= 487, 499, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 119 CYSS H 119 CYSS HB2 3.05 (#peak 35)
&rst
ixpk= 35, nxpk= 0, iat= 599, 603, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 103 ASN H 103 ASN HB3 3.82 (#peak 1351)
&rst
ixpk= 1351, nxpk= 0, iat= 352, 357, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 6 CYSS H 6 CYSS HB2 3.26 (#peak 42)
&rst
ixpk= 42, nxpk= 0, iat= 78, 82, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 110 HIS H 110 HIS HB2 3.08 (#peak 43)
&rst
ixpk= 43, nxpk= 0, iat= 447, 451, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 21 ASN H 21 ASN HB2 4.20 (#peak 722)
&rst
ixpk= 722, nxpk= 0, iat= 299, 303, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 117 LEU H 117 LEU HB2 3.30 (#peak 47)
&rst
ixpk= 47, nxpk= 0, iat= 564, 568, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 126 TYR H 126 TYR HB3 3.92 (#peak 718)
&rst
ixpk= 718, nxpk= 0, iat= 702, 707, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 126 TYR H 126 TYR HB2 3.52 (#peak 49)
&rst
ixpk= 49, nxpk= 0, iat= 702, 706, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 14 TYR H 14 TYR HB2 2.90 (#peak 51)
&rst
ixpk= 51, nxpk= 0, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 15 GLN H 15 GLN HB2 3.19 (#peak 53)
&rst
ixpk= 53, nxpk= 0, iat= 203, 207, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 18 ASN H 18 ASN HB3 3.55 (#peak 372)
&rst
ixpk= 372, nxpk= 0, iat= 254, 259, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 18 ASN H 18 ASN HB2 3.05 (#peak 55)
&rst
ixpk= 55, nxpk= 0, iat= 254, 258, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 104 GLN H 104 GLN HB3 3.94 (#peak 57)
&rst
ixpk= 57, nxpk= 0, iat= 366, 371, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 104 GLN H 104 GLN HB2 3.44 (#peak 58)
&rst
ixpk= 58, nxpk= 0, iat= 366, 370, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 12 SER H 12 SER HB3 3.62 (#peak 60)
&rst
ixpk= 60, nxpk= 0, iat= 152, 157, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 119 CYSS HB2 120 GLY H 4.66 (#peak 65)
&rst
ixpk= 65, nxpk= 0, iat= 603, 609, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 12 SER H 12 SER HB2 3.92 (#peak 68)
&rst
ixpk= 68, nxpk= 0, iat= 152, 156, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 129 LYS H 129 LYS HB2 3.93 (#peak 73)
&rst
ixpk= 73, nxpk= 0, iat= 751, 755, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 129 LYS H 129 LYS HB3 4.13 (#peak 74)
&rst
ixpk= 74, nxpk= 0, iat= 751, 756, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 18 ASN HA 18 ASN HB2 2.98 (#peak 87)
&rst
ixpk= 87, nxpk= 0, iat= 256, 258, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 18 ASN HA 18 ASN HB3 2.98 (#peak 88)
&rst
ixpk= 88, nxpk= 0, iat= 256, 259, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 107 CYSS HA 107 CYSS HB3 3.24 (#peak 91)
&rst
ixpk= 91, nxpk= 0, iat= 421, 424, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 107 CYSS HA 107 CYSS HB2 3.34 (#peak 93)
&rst
ixpk= 93, nxpk= 0, iat= 421, 423, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 119 CYSS H 120 GLY H 2.69 (#peak 111)
&rst
ixpk= 111, nxpk= 0, iat= 599, 609, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 2 ILE HA 3 VAL H 3.77 (#peak 123)
&rst
ixpk= 123, nxpk= 0, iat= 13, 30, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 6 CYSS HA 7 CYSS H 3.71 (#peak 124)
&rst
ixpk= 124, nxpk= 0, iat= 80, 88, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 11 CYSS HB2 12 SER H 3.81 (#peak 125)
&rst
ixpk= 125, nxpk= 0, iat= 146, 152, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 11 CYSS HB3 12 SER H 3.99 (#peak 126)
&rst
ixpk= 126, nxpk= 0, iat= 147, 152, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 13 LEU HB3 14 TYR H 3.99 (#peak 130)
&rst
ixpk= 130, nxpk= 0, iat= 168, 182, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 13 LEU HB2 14 TYR H 3.44 (#peak 128)
&rst
ixpk= 128, nxpk= 0, iat= 167, 182, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 14 TYR HA 15 GLN H 3.52 (#peak 133)
&rst
ixpk= 133, nxpk= 0, iat= 184, 203, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 14 TYR HB2 15 GLN H 4.27 (#peak 134)
&rst
ixpk= 134, nxpk= 0, iat= 186, 203, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 6 CYSS HB3 7 CYSS H 4.23 (#peak 140)
&rst
ixpk= 140, nxpk= 0, iat= 83, 88, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 9 SER HB3 10 ILE H 4.25 (#peak 142)
&rst
ixpk= 142, nxpk= 0, iat= 117, 123, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 16 LEU H 16 LEU HB2 3.19 (#peak 149)
&rst
ixpk= 149, nxpk= 0, iat= 220, 224, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 16 LEU H 16 LEU HB3 3.69 (#peak 151)
&rst
ixpk= 151, nxpk= 0, iat= 220, 225, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 105 HIS HB3 106 LEU H 4.16 (#peak 155)
&rst
ixpk= 155, nxpk= 0, iat= 388, 400, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 105 HIS HB2 106 LEU H 4.96 (#peak 156)
&rst
ixpk= 156, nxpk= 0, iat= 387, 400, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 106 LEU H 106 LEU HB2 4.66 (#peak 160)
&rst
ixpk= 160, nxpk= 0, iat= 400, 404, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 107 CYSS H 107 CYSS HB2 3.05 (#peak 162)
&rst
ixpk= 162, nxpk= 0, iat= 419, 423, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 107 CYSS H 107 CYSS HB3 3.55 (#peak 39)
&rst
ixpk= 39, nxpk= 0, iat= 419, 424, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 108 GLY HA2 109 SER H 3.44 (#peak 164)
&rst
ixpk= 164, nxpk= 0, iat= 431, 436, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 108 GLY HA3 109 SER H 2.94 (#peak 165)
&rst
ixpk= 165, nxpk= 0, iat= 432, 436, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 109 SER QB 110 HIS H 4.76 (#peak 166)
&rst
ixpk= 166, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 440, 441,
&end
#
# 110 HIS H 110 HIS HB3 3.50 (#peak 169)
&rst
ixpk= 169, nxpk= 0, iat= 447, 452, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 HIS HB2 111 LEU H 4.20 (#peak 170)
&rst
ixpk= 170, nxpk= 0, iat= 451, 464, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 110 HIS HB3 111 LEU H 3.80 (#peak 171)
&rst
ixpk= 171, nxpk= 0, iat= 452, 464, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 111 LEU H 111 LEU HB2 3.23 (#peak 177)
&rst
ixpk= 177, nxpk= 0, iat= 464, 468, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 111 LEU H 111 LEU HB3 3.23 (#peak 181)
&rst
ixpk= 181, nxpk= 0, iat= 464, 469, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 111 LEU HB2 112 VAL H 4.19 (#peak 194)
&rst
ixpk= 194, nxpk= 0, iat= 468, 483, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 111 LEU HB3 112 VAL H 3.59 (#peak 185)
&rst
ixpk= 185, nxpk= 0, iat= 469, 483, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 112 VAL H 112 VAL HB 2.83 (#peak 197)
&rst
ixpk= 197, nxpk= 0, iat= 483, 487, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 115 LEU H 115 LEU HB3 3.81 (#peak 202)
&rst
ixpk= 202, nxpk= 0, iat= 524, 529, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 117 LEU H 117 LEU HB3 3.70 (#peak 213)
&rst
ixpk= 213, nxpk= 0, iat= 564, 569, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 117 LEU HB2 118 VAL H 3.34 (#peak 212)
&rst
ixpk= 212, nxpk= 0, iat= 568, 583, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 118 VAL H 118 VAL HB 2.98 (#peak 216)
&rst
ixpk= 216, nxpk= 0, iat= 583, 587, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 118 VAL HB 119 CYSS H 2.87 (#peak 897)
&rst
ixpk= 897, nxpk= 0, iat= 587, 599, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 121 GLU H 121 GLU HB2 3.84 (#peak 226)
&rst
ixpk= 226, nxpk= 0, iat= 616, 620, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 121 GLU H 121 GLU HB3 3.44 (#peak 227)
&rst
ixpk= 227, nxpk= 0, iat= 616, 621, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 121 GLU HB2 122 ARG H 4.80 (#peak 229)
&rst
ixpk= 229, nxpk= 0, iat= 620, 631, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 124 PHE H 124 PHE HB3 3.08 (#peak 258)
&rst
ixpk= 258, nxpk= 0, iat= 662, 667, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 110 HIS H 111 LEU H 3.34 (#peak 309)
&rst
ixpk= 309, nxpk= 0, iat= 447, 464, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 109 SER H 110 HIS H 3.01 (#peak 311)
&rst
ixpk= 311, nxpk= 0, iat= 436, 447, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 113 GLU HB3 114 ALA H 3.73 (#peak 324)
&rst
ixpk= 324, nxpk= 0, iat= 504, 514, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 121 GLU H 121 GLU HA 3.20 (#peak 341)
&rst
ixpk= 341, nxpk= 0, iat= 616, 618, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 20 CYSS H 20 CYSS HB3 3.91 (#peak 56)
&rst
ixpk= 56, nxpk= 0, iat= 289, 294, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 8 THR H 8 THR HB 3.92 (#peak 397)
&rst
ixpk= 397, nxpk= 0, iat= 98, 102, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 3 VAL H 3 VAL HB 3.22 (#peak 405)
&rst
ixpk= 405, nxpk= 0, iat= 30, 34, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 5 GLN H 5 GLN HB3 3.84 (#peak 418)
&rst
ixpk= 418, nxpk= 0, iat= 61, 66, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 128 PRO HA 129 LYS H 2.76 (#peak 420)
&rst
ixpk= 420, nxpk= 0, iat= 747, 751, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 103 ASN HA 104 GLN H 2.92 (#peak 422)
&rst
ixpk= 422, nxpk= 0, iat= 354, 366, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 103 ASN HB2 104 GLN H 4.78 (#peak 424)
&rst
ixpk= 424, nxpk= 0, iat= 356, 366, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 102 VAL H 102 VAL HB 3.96 (#peak 426)
&rst
ixpk= 426, nxpk= 0, iat= 336, 340, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 101 PHE HA 102 VAL H 3.71 (#peak 429)
&rst
ixpk= 429, nxpk= 0, iat= 318, 336, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 101 PHE HB2 102 VAL H 4.38 (#peak 1356)
&rst
ixpk= 1356, nxpk= 0, iat= 320, 336, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 101 PHE HB3 102 VAL H 4.38 (#peak 1357)
&rst
ixpk= 1357, nxpk= 0, iat= 321, 336, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 19 TYR HB3 20 CYSS H 4.65 (#peak 434)
&rst
ixpk= 434, nxpk= 0, iat= 273, 289, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 19 TYR HB2 20 CYSS H 4.35 (#peak 436)
&rst
ixpk= 436, nxpk= 0, iat= 272, 289, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 7 CYSS H 9 SER H 4.42 (#peak 438)
&rst
ixpk= 438, nxpk= 0, iat= 88, 112, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 12 SER H 14 TYR H 6.00 (#peak 440)
&rst
ixpk= 440, nxpk= 0, iat= 152, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 CYSS H 7 CYSS H 3.08 (#peak 441)
&rst
ixpk= 441, nxpk= 0, iat= 78, 88, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 8 THR H 9 SER H 3.91 (#peak 442)
&rst
ixpk= 442, nxpk= 0, iat= 98, 112, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 118 VAL H 119 CYSS H 2.83 (#peak 903)
&rst
ixpk= 903, nxpk= 0, iat= 583, 599, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 13 LEU H 14 TYR H 2.98 (#peak 112)
&rst
ixpk= 112, nxpk= 0, iat= 163, 182, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 14 TYR H 15 GLN H 2.72 (#peak 445)
&rst
ixpk= 445, nxpk= 0, iat= 182, 203, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 19 TYR H 20 CYSS H 2.62 (#peak 448)
&rst
ixpk= 448, nxpk= 0, iat= 268, 289, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 104 GLN H 105 HIS H 5.35 (#peak 450)
&rst
ixpk= 450, nxpk= 0, iat= 366, 383, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 105 HIS H 106 LEU H 4.55 (#peak 453)
&rst
ixpk= 453, nxpk= 0, iat= 383, 400, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 106 LEU H 107 CYSS H 4.34 (#peak 455)
&rst
ixpk= 455, nxpk= 0, iat= 400, 419, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 107 CYSS H 108 GLY H 5.03 (#peak 457)
&rst
ixpk= 457, nxpk= 0, iat= 419, 429, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 111 LEU H 112 VAL H 3.66 (#peak 459)
&rst
ixpk= 459, nxpk= 0, iat= 464, 483, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 112 VAL H 113 GLU H 3.48 (#peak 461)
&rst
ixpk= 461, nxpk= 0, iat= 483, 499, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 113 GLU H 114 ALA H 3.48 (#peak 462)
&rst
ixpk= 462, nxpk= 0, iat= 499, 514, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 115 LEU H 116 TYR H 3.77 (#peak 465)
&rst
ixpk= 465, nxpk= 0, iat= 524, 543, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 116 TYR H 117 LEU H 3.16 (#peak 466)
&rst
ixpk= 466, nxpk= 0, iat= 543, 564, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 117 LEU H 118 VAL H 2.87 (#peak 467)
&rst
ixpk= 467, nxpk= 0, iat= 564, 583, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 123 GLY H 124 PHE H 4.88 (#peak 470)
&rst
ixpk= 470, nxpk= 0, iat= 655, 662, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 124 PHE H 125 PHE H 4.90 (#peak 472 )
&rst
ixpk= 472, nxpk= 0, iat= 662, 682, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 126 TYR H 127 THR H 4.70 (#peak 473)
&rst
ixpk= 473, nxpk= 0, iat= 702, 723, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 129 LYS H 130 THR H 3.52 (#peak 475)
&rst
ixpk= 475, nxpk= 0, iat= 751, 773, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 130 THR H 131 LYS H 3.91 (#peak 476)
&rst
ixpk= 476, nxpk= 0, iat= 773, 787, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 16 LEU H 18 ASN H 4.27 (#peak 478)
&rst
ixpk= 478, nxpk= 0, iat= 220, 254, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 112 VAL H 114 ALA H 4.27 (#peak 480)
&rst
ixpk= 480, nxpk= 0, iat= 483, 514, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 114 ALA H 116 TYR H 4.31 (#peak 481)
&rst
ixpk= 481, nxpk= 0, iat= 514, 543, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 116 TYR H 118 VAL H 4.38 (#peak 483)
&rst
ixpk= 483, nxpk= 0, iat= 543, 583, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 117 LEU H 119 CYSS H 4.59 (#peak 485)
&rst
ixpk= 485, nxpk= 0, iat= 564, 599, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 118 VAL H 120 GLY H 5.28 (#peak 486)
&rst
ixpk= 486, nxpk= 0, iat= 583, 609, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 5 GLN HA 7 CYSS H 4.72 (#peak 487)
&rst
ixpk= 487, nxpk= 0, iat= 63, 88, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 12 SER HA 14 TYR H 4.57 (#peak 488)
&rst
ixpk= 488, nxpk= 0, iat= 154, 182, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 116 TYR HA 124 PHE H 6.00 (#peak 490)
&rst
ixpk= 490, nxpk= 0, iat= 545, 662, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 2 ILE HA 5 GLN H 4.02 (#peak 491)
&rst
ixpk= 491, nxpk= 0, iat= 13, 61, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 12 SER HA 15 GLN H 4.99 (#peak 492)
&rst
ixpk= 492, nxpk= 0, iat= 154, 203, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 15 GLN HA 18 ASN H 5.46 (#peak 493)
&rst
ixpk= 493, nxpk= 0, iat= 205, 254, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 109 SER HA 112 VAL H 4.09 (#peak 495)
&rst
ixpk= 495, nxpk= 0, iat= 438, 483, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 116 TYR HA 119 CYSS H 4.24 (#peak 497)
&rst
ixpk= 497, nxpk= 0, iat= 545, 599, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 117 LEU HA 120 GLY H 4.53 (#peak 498)
&rst
ixpk= 498, nxpk= 0, iat= 566, 609, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 119 CYSS HA 120 GLY H 3.67 (#peak 499)
&rst
ixpk= 499, nxpk= 0, iat= 601, 609, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 110 HIS HA 114 ALA H 4.16 (#peak 501)
&rst
ixpk= 501, nxpk= 0, iat= 449, 514, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 115 LEU HA 119 CYSS H 4.20 (#peak 502)
&rst
ixpk= 502, nxpk= 0, iat= 526, 599, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 9 SER HA 10 ILE H 3.08 (#peak 506)
&rst
ixpk= 506, nxpk= 0, iat= 114, 123, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 20 CYSS HA 21 ASN H 3.47 (#peak 507)
&rst
ixpk= 507, nxpk= 0, iat= 291, 299, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 13 LEU HA 16 LEU HB2 3.26 (#peak 514)
&rst
ixpk= 514, nxpk= 0, iat= 165, 224, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 13 LEU HA 16 LEU HB3 4.26 (#peak 516)
&rst
ixpk= 516, nxpk= 0, iat= 165, 225, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 15 GLN HA 18 ASN HB2 3.70 (#peak 517)
&rst
ixpk= 517, nxpk= 0, iat= 205, 258, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 15 GLN HA 18 ASN HB3 3.70 (#peak 518)
&rst
ixpk= 518, nxpk= 0, iat= 205, 259, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 17 GLU HA 20 CYSS HB3 4.45 (#peak 519)
&rst
ixpk= 519, nxpk= 0, iat= 241, 294, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 113 GLU HA 116 TYR QB 4.04 (#peak 523)
&rst
ixpk= 523, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 547, 548,
&end
#
# 115 LEU HA 118 VAL HB 3.48 (#peak 524)
&rst
ixpk= 524, nxpk= 0, iat= 526, 587, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 112 VAL HA 115 LEU H 3.84 (#peak 543)
&rst
ixpk= 543, nxpk= 0, iat= 485, 524, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 14 TYR HB3 15 GLN H 3.37 (#peak 547)
&rst
ixpk= 547, nxpk= 0, iat= 187, 203, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 14 TYR H 14 TYR HB3 2.90 (#peak 550)
&rst
ixpk= 550, nxpk= 0, iat= 182, 187, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 15 GLN H 15 GLN HB3 3.69 (#peak 552)
&rst
ixpk= 552, nxpk= 0, iat= 203, 208, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 10 ILE H 10 ILE HB 2.72 (#peak 67)
&rst
ixpk= 67, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 115 LEU HB3 116 TYR H 4.06 (#peak 804)
&rst
ixpk= 804, nxpk= 0, iat= 529, 543, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 117 LEU HA 119 CYSS H 4.93 (#peak 583)
&rst
ixpk= 583, nxpk= 0, iat= 566, 599, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 119 CYSS H 120 GLY QA 5.66 (#peak 584)
&rst
ixpk= 584, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 611, 612,
&end
#
# 112 VAL HA 114 ALA H 4.67 (#peak 627)
&rst
ixpk= 627, nxpk= 0, iat= 485, 514, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 4 GLU HA 5 GLN H 3.55 (#peak 640)
&rst
ixpk= 640, nxpk= 0, iat= 48, 61, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 104 GLN HA 105 HIS H 2.72 (#peak 641)
&rst
ixpk= 641, nxpk= 0, iat= 368, 383, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 128 PRO HB2 129 LYS H 4.20 (#peak 1348)
&rst
ixpk= 1348, nxpk= 0, iat= 744, 751, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 12 SER H 15 GLN H 3.95 (#peak 647)
&rst
ixpk= 647, nxpk= 0, iat= 152, 203, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 12 SER H 16 LEU H 4.73 (#peak 655)
&rst
ixpk= 655, nxpk= 0, iat= 152, 220, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 112 VAL HA 113 GLU H 3.88 (#peak 189)
&rst
ixpk= 189, nxpk= 0, iat= 485, 499, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 21 ASN H 21 ASN HB3 4.20 (#peak 46)
&rst
ixpk= 46, nxpk= 0, iat= 299, 304, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 113 GLU HB2 114 ALA H 3.93 (#peak 323)
&rst
ixpk= 323, nxpk= 0, iat= 503, 514, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 106 LEU HA 107 CYSS H 2.69 (#peak 733)
&rst
ixpk= 733, nxpk= 0, iat= 402, 419, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 20 CYSS H 21 ASN H 4.60 (#peak 744)
&rst
ixpk= 744, nxpk= 0, iat= 289, 299, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 103 ASN H 104 GLN HA 5.99 (#peak 810)
&rst
ixpk= 810, nxpk= 0, iat= 352, 368, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 13 LEU H 16 LEU H 5.17 (#peak 912)
&rst
ixpk= 912, nxpk= 0, iat= 163, 220, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 124 PHE H 124 PHE HB2 4.08 (#peak 259)
&rst
ixpk= 259, nxpk= 0, iat= 662, 666, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 113 GLU H 113 GLU HB3 3.98 (#peak 841)
&rst
ixpk= 841, nxpk= 0, iat= 499, 504, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 121 GLU HB3 122 ARG H 4.34 (#peak 228)
&rst
ixpk= 228, nxpk= 0, iat= 621, 631, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 20 CYSS H 20 CYSS HB2 3.01 (#peak 52)
&rst
ixpk= 52, nxpk= 0, iat= 289, 293, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 104 GLN HB3 105 HIS H 3.66 (#peak 152)
&rst
ixpk= 152, nxpk= 0, iat= 371, 383, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 102 VAL HB 103 ASN H 4.46 (#peak 428)
&rst
ixpk= 428, nxpk= 0, iat= 340, 352, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 6 CYSS H 6 CYSS HB3 3.76 (#peak 868)
&rst
ixpk= 868, nxpk= 0, iat= 78, 83, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 116 TYR H 116 TYR QB 3.64 (#peak 40)
&rst
ixpk= 40, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 547, 548,
&end
#
# 17 GLU H 18 ASN H 3.62 (#peak 875)
&rst
ixpk= 875, nxpk= 0, iat= 239, 254, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 6 CYSS HA 11 CYSS H 5.57 (#peak 876)
&rst
ixpk= 876, nxpk= 0, iat= 80, 142, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 10 ILE HA 11 CYSS H 2.98 (#peak 877)
&rst
ixpk= 877, nxpk= 0, iat= 125, 142, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 109 SER H 109 SER QB 4.04 (#peak 879)
&rst
ixpk= 879, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 440, 441,
&end
#
# 107 CYSS HA 108 GLY H 2.62 (#peak 886)
&rst
ixpk= 886, nxpk= 0, iat= 421, 429, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 106 LEU H 106 LEU HB3 4.16 (#peak 888)
&rst
ixpk= 888, nxpk= 0, iat= 400, 405, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 7 CYSS HA 106 LEU H 3.59 (#peak 890)
&rst
ixpk= 890, nxpk= 0, iat= 90, 400, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 119 CYSS H 119 CYSS HB3 3.65 (#peak 538)
&rst
ixpk= 538, nxpk= 0, iat= 599, 604, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 116 TYR QB 119 CYSS H 6.88 (#peak 899)
&rst
ixpk= 899, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1= 547, 548,
&end
#
# 119 CYSS H 121 GLU H 7.00 (#peak 902)
&rst
ixpk= 902, nxpk= 0, iat= 599, 616, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 13 LEU H 14 TYR HA 6.00 (#peak 908)
&rst
ixpk= 908, nxpk= 0, iat= 163, 184, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 SER HA 13 LEU H 2.72 (#peak 910)
&rst
ixpk= 910, nxpk= 0, iat= 154, 163, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 13 LEU H 15 GLN H 4.53 (#peak 911)
&rst
ixpk= 911, nxpk= 0, iat= 163, 203, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 12 SER H 15 GLN HB3 4.23 (#peak 914)
&rst
ixpk= 914, nxpk= 0, iat= 152, 208, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 12 SER H 15 GLN HB2 3.73 (#peak 916)
&rst
ixpk= 916, nxpk= 0, iat= 152, 207, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 11 CYSS HA 12 SER H 3.22 (#peak 917)
&rst
ixpk= 917, nxpk= 0, iat= 144, 152, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 11 CYSS H 12 SER H 4.67 (#peak 918)
&rst
ixpk= 918, nxpk= 0, iat= 142, 152, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 117 LEU HB3 118 VAL H 3.84 (#peak 925)
&rst
ixpk= 925, nxpk= 0, iat= 569, 583, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 116 TYR QB 118 VAL H 6.27 (#peak 928)
&rst
ixpk= 928, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 547, 548,
&end
#
# 116 TYR HA 118 VAL H 5.46 (#peak 929)
&rst
ixpk= 929, nxpk= 0, iat= 545, 583, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 118 VAL H 119 CYSS HA 6.00 (#peak 930)
&rst
ixpk= 930, nxpk= 0, iat= 583, 601, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 LEU H 118 VAL H 4.93 (#peak 931)
&rst
ixpk= 931, nxpk= 0, iat= 524, 583, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 2 ILE H 2 ILE HB 3.94 (#peak 934)
&rst
ixpk= 934, nxpk= 0, iat= 11, 15, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 2 ILE H 3 VAL HB 5.67 (#peak 935)
&rst
ixpk= 935, nxpk= 0, iat= 11, 34, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 2 ILE H 3 VAL HA 5.60 (#peak 936)
&rst
ixpk= 936, nxpk= 0, iat= 11, 32, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 104 GLN HB2 105 HIS H 4.36 (#peak 939)
&rst
ixpk= 939, nxpk= 0, iat= 370, 383, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 7 CYSS H 8 THR H 2.94 (#peak 944)
&rst
ixpk= 944, nxpk= 0, iat= 88, 98, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 107 CYSS H 110 HIS HA 5.75 (#peak 951)
&rst
ixpk= 951, nxpk= 0, iat= 419, 449, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 107 CYSS H 111 LEU H 4.85 (#peak 952)
&rst
ixpk= 952, nxpk= 0, iat= 419, 464, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 7 CYSS HA 107 CYSS H 5.51 (#peak 955)
&rst
ixpk= 955, nxpk= 0, iat= 90, 419, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 2 ILE HA 6 CYSS H 4.34 (#peak 961)
&rst
ixpk= 961, nxpk= 0, iat= 13, 78, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 3 VAL HA 6 CYSS H 4.24 (#peak 963)
&rst
ixpk= 963, nxpk= 0, iat= 32, 78, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 112 VAL HA 116 TYR H 4.38 (#peak 965)
&rst
ixpk= 965, nxpk= 0, iat= 485, 543, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 116 TYR H 119 CYSS H 5.24 (#peak 646)
&rst
ixpk= 646, nxpk= 0, iat= 543, 599, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 114 ALA H 115 LEU H 2.90 (#peak 972)
&rst
ixpk= 972, nxpk= 0, iat= 514, 524, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 112 VAL H 115 LEU H 4.67 (#peak 973)
&rst
ixpk= 973, nxpk= 0, iat= 483, 524, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 121 GLU H 122 ARG H 3.56 (#peak 976)
&rst
ixpk= 976, nxpk= 0, iat= 616, 631, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 17 GLU H 18 ASN HA 5.88 (#peak 981)
&rst
ixpk= 981, nxpk= 0, iat= 239, 256, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 16 LEU HB2 17 GLU H 3.55 (#peak 983)
&rst
ixpk= 983, nxpk= 0, iat= 224, 239, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 16 LEU HB3 17 GLU H 3.55 (#peak 984)
&rst
ixpk= 984, nxpk= 0, iat= 225, 239, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 15 GLN H 17 GLU H 4.23 (#peak 990)
&rst
ixpk= 990, nxpk= 0, iat= 203, 239, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 15 GLN H 16 LEU H 3.05 (#peak 447)
&rst
ixpk= 447, nxpk= 0, iat= 203, 220, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 2 ILE H 3 VAL H 3.23 (#peak 995)
&rst
ixpk= 995, nxpk= 0, iat= 11, 30, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 2 ILE HB 3 VAL H 4.92 (#peak 997)
&rst
ixpk= 997, nxpk= 0, iat= 15, 30, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 3 VAL H 5 GLN H 4.20 (#peak 437)
&rst
ixpk= 437, nxpk= 0, iat= 30, 61, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 124 PHE HB2 125 PHE H 3.95 (#peak 999)
&rst
ixpk= 999, nxpk= 0, iat= 666, 682, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 125 PHE H 126 TYR H 5.14 (#peak 1000)
&rst
ixpk= 1000, nxpk= 0, iat= 682, 702, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 124 PHE HB3 125 PHE H 3.95 (#peak 1001)
&rst
ixpk= 1001, nxpk= 0, iat= 667, 682, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 124 PHE HA 125 PHE H 3.12 (#peak 1004)
&rst
ixpk= 1004, nxpk= 0, iat= 664, 682, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 21 ASN H 124 PHE HA 5.54 (#peak 1006)
&rst
ixpk= 1006, nxpk= 0, iat= 299, 664, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 107 CYSS HA 111 LEU HB3 4.96 (#peak 1010)
&rst
ixpk= 1010, nxpk= 0, iat= 421, 469, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 107 CYSS HA 111 LEU HB2 4.96 (#peak 1011)
&rst
ixpk= 1011, nxpk= 0, iat= 421, 468, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 6 CYSS HA 12 SER H 6.00 (#peak 1013)
&rst
ixpk= 1013, nxpk= 0, iat= 80, 152, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 TYR H 20 CYSS HA 6.00 (#peak 1021)
&rst
ixpk= 1021, nxpk= 0, iat= 268, 291, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 118 VAL HB 119 CYSS HA 4.74 (#peak 1022)
&rst
ixpk= 1022, nxpk= 0, iat= 587, 601, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 9 SER HA 10 ILE HB 5.03 (#peak 1024)
&rst
ixpk= 1024, nxpk= 0, iat= 114, 127, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 8 THR H 9 SER HA 5.44 (#peak 1025)
&rst
ixpk= 1025, nxpk= 0, iat= 98, 114, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 126 TYR HA 127 THR H 3.08 (#peak 1041)
&rst
ixpk= 1041, nxpk= 0, iat= 704, 723, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 110 HIS HA 113 GLU H 3.66 (#peak 1046)
&rst
ixpk= 1046, nxpk= 0, iat= 449, 499, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 11 CYSS H 105 HIS HA 4.16 (#peak 1061)
&rst
ixpk= 1061, nxpk= 0, iat= 142, 385, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 106 LEU HA 107 CYSS HB2 5.89 (#peak 1064)
&rst
ixpk= 1064, nxpk= 0, iat= 402, 423, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 106 LEU HA 107 CYSS HB3 5.89 (#peak 1066)
&rst
ixpk= 1066, nxpk= 0, iat= 402, 424, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 9 SER H 10 ILE HA 5.60 (#peak 1067)
&rst
ixpk= 1067, nxpk= 0, iat= 112, 125, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 10 ILE HA 105 HIS H 5.60 (#peak 1069)
&rst
ixpk= 1069, nxpk= 0, iat= 125, 383, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 10 ILE HA 104 GLN H 5.86 (#peak 1070)
&rst
ixpk= 1070, nxpk= 0, iat= 125, 366, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 8 THR HB 9 SER H 4.55 (#peak 1074)
&rst
ixpk= 1074, nxpk= 0, iat= 102, 112, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 121 GLU HA 123 GLY H 4.06 (#peak 1091)
&rst
ixpk= 1091, nxpk= 0, iat= 618, 655, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 13 LEU HB3 14 TYR HA 4.99 (#peak 1097)
&rst
ixpk= 1097, nxpk= 0, iat= 168, 184, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 13 LEU HB2 14 TYR HA 4.90 (#peak 1098)
&rst
ixpk= 1098, nxpk= 0, iat= 167, 184, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 17 GLU HA 20 CYSS HB2 4.45 (#peak 1100)
&rst
ixpk= 1100, nxpk= 0, iat= 241, 293, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 109 SER HA 112 VAL HA 6.00 (#peak 1102)
&rst
ixpk= 1102, nxpk= 0, iat= 438, 485, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 SER HA 111 LEU H 4.85 (#peak 1103)
&rst
ixpk= 1103, nxpk= 0, iat= 438, 464, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 111 LEU HA 114 ALA H 3.52 (#peak 1115)
&rst
ixpk= 1115, nxpk= 0, iat= 466, 514, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 9 SER HB2 10 ILE H 3.55 (#peak 1116)
&rst
ixpk= 1116, nxpk= 0, iat= 116, 123, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 13 LEU HA 14 TYR HA 6.00 (#peak 1125)
&rst
ixpk= 1125, nxpk= 0, iat= 165, 184, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 LEU HA 117 LEU H 5.17 (#peak 1127)
&rst
ixpk= 1127, nxpk= 0, iat= 526, 564, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 109 SER QB 110 HIS HA 6.27 (#peak 1137)
&rst
ixpk= 1137, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 440, 441,
&end
#
# 109 SER QB 112 VAL H 6.23 (#peak 1138)
&rst
ixpk= 1138, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 440, 441,
&end
#
# 117 LEU HB3 118 VAL HA 4.63 (#peak 1144)
&rst
ixpk= 1144, nxpk= 0, iat= 569, 585, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 117 LEU HB2 118 VAL HA 4.83 (#peak 1145)
&rst
ixpk= 1145, nxpk= 0, iat= 568, 585, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 3 VAL HA 5 GLN H 4.42 (#peak 1150)
&rst
ixpk= 1150, nxpk= 0, iat= 32, 61, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 115 LEU H 116 TYR QB 5.26 (#peak 1186)
&rst
ixpk= 1186, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 547, 548,
&end
#
# 116 TYR QB 117 LEU HA 6.27 (#peak 1189)
&rst
ixpk= 1189, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 547, 548,
&end
#
# 119 CYSS HB3 120 GLY H 4.92 (#peak 1211)
&rst
ixpk= 1211, nxpk= 0, iat= 604, 609, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 122 ARG HB2 123 GLY H 3.84 (#peak 1278)
&rst
ixpk= 1278, nxpk= 0, iat= 635, 655, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 128 PRO HB3 129 LYS H 4.20 (#peak 1283)
&rst
ixpk= 1283, nxpk= 0, iat= 745, 751, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 122 ARG HB3 123 GLY H 4.34 (#peak 1294)
&rst
ixpk= 1294, nxpk= 0, iat= 636, 655, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 129 LYS HB2 130 THR H 4.50 (#peak 1302)
&rst
ixpk= 1302, nxpk= 0, iat= 755, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 129 LYS HB3 130 THR H 4.80 (#peak 1312)
&rst
ixpk= 1312, nxpk= 0, iat= 756, 773, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 10 ILE HB 11 CYSS H 6.00 (#peak 1336)
&rst
ixpk= 1336, nxpk= 0, iat= 127, 142, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 5 GLN H 5 GLN HB2 3.34 (#peak 417)
&rst
ixpk= 417, nxpk= 0, iat= 61, 65, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 103 ASN H 103 ASN HB2 4.29 (#peak 1352)
&rst
ixpk= 1352, nxpk= 0, iat= 352, 356, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 103 ASN HB3 104 GLN H 4.88 (#peak 1353)
&rst
ixpk= 1353, nxpk= 0, iat= 357, 366, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 6 CYSS HB2 7 CYSS H 3.93 (#peak 1355)
&rst
ixpk= 1355, nxpk= 0, iat= 82, 88, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 18 ASN HB2 19 TYR H 4.37 (#peak 1368)
&rst
ixpk= 1368, nxpk= 0, iat= 258, 268, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 18 ASN HB3 19 TYR H 3.77 (#peak 137)
&rst
ixpk= 137, nxpk= 0, iat= 259, 268, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 116 TYR QB 117 LEU H 4.18 (#peak 1370)
&rst
ixpk= 1370, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 547, 548,
&end
#
# 115 LEU H 115 LEU HB2 3.41 (#peak 1372)
&rst
ixpk= 1372, nxpk= 0, iat= 524, 528, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 115 LEU HB2 116 TYR H 4.06 (#peak 1373)
&rst
ixpk= 1373, nxpk= 0, iat= 528, 543, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 102 VAL HA 103 ASN H 3.82 (#peak 425)
&rst
ixpk= 425, nxpk= 0, iat= 338, 352, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 4 GLU HA 7 CYSS H 4.38 (#peak 1461)
&rst
ixpk= 1461, nxpk= 0, iat= 48, 88, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 4 GLU H 129 LYS H 5.14 (#peak 1464)
&rst
ixpk= 1464, nxpk= 0, iat= 46, 751, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 5 GLN H 5 GLN HG2 5.06 (#peak 59)
&rst
ixpk= 59, nxpk= 0, iat= 61, 68, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 105 HIS HA 105 HIS HE1 6.00 (#peak 70)
&rst
ixpk= 70, nxpk= 0, iat= 385, 393, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 122 ARG HA 122 ARG QD 6.88 (#peak 121)
&rst
ixpk= 121, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr2= 641, 642,
&end
#
# 15 GLN H 15 GLN HG2 4.28 (#peak 148)
&rst
ixpk= 148, nxpk= 0, iat= 203, 210, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 16 LEU H 16 LEU HG 4.49 (#peak 987)
&rst
ixpk= 987, nxpk= 0, iat= 220, 227, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 111 LEU H 111 LEU HG 5.21 (#peak 178)
&rst
ixpk= 178, nxpk= 0, iat= 464, 471, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 111 LEU HG 112 VAL H 5.71 (#peak 184)
&rst
ixpk= 184, nxpk= 0, iat= 471, 483, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 116 TYR H 116 TYR QD 8.02 (#peak 206)
&rst
ixpk= 206, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr2= 551, 560,
&end
#
# 116 TYR HA 116 TYR QD 6.58 (#peak 208)
&rst
ixpk= 208, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 551, 560,
&end
#
# 122 ARG H 122 ARG QG 4.76 (#peak 557)
&rst
ixpk= 557, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 638, 639,
&end
#
# 122 ARG H 122 ARG QD 6.63 (#peak 233)
&rst
ixpk= 233, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
igr2= 641, 642,
&end
#
# 104 GLN QG 105 HIS H 6.70 (#peak 242)
&rst
ixpk= 242, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1= 373, 374,
&end
#
# 124 PHE H 124 PHE QD 7.66 (#peak 262)
&rst
ixpk= 262, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10,
igr2= 670, 678,
&end
#
# 125 PHE H 125 PHE QD 7.30 (#peak 266)
&rst
ixpk= 266, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr2= 690, 698,
&end
#
# 126 TYR H 126 TYR QD 8.13 (#peak 271)
&rst
ixpk= 271, nxpk= 0, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 710, 719,
&end
#
# 101 PHE HA 101 PHE QD 8.13 (#peak 280)
&rst
ixpk= 280, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 324, 332,
&end
#
# 105 HIS H 105 HIS HD2 3.80 (#peak 287)
&rst
ixpk= 287, nxpk= 0, iat= 383, 396, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 117 LEU H 117 LEU HG 4.16 (#peak 329)
&rst
ixpk= 329, nxpk= 0, iat= 564, 571, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 117 LEU HA 117 LEU HG 4.02 (#peak 330)
&rst
ixpk= 330, nxpk= 0, iat= 566, 571, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 19 TYR H 19 TYR QE 8.13 (#peak 354)
&rst
ixpk= 354, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 278, 283,
&end
#
# 19 TYR H 19 TYR QD 6.26 (#peak 356)
&rst
ixpk= 356, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2= 276, 285,
&end
#
# 19 TYR HA 19 TYR QD 6.40 (#peak 365)
&rst
ixpk= 365, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2= 276, 285,
&end
#
# 14 TYR H 14 TYR QD 7.84 (#peak 383)
&rst
ixpk= 383, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 190, 199,
&end
#
# 17 GLU H 17 GLU HG2 4.31 (#peak 393)
&rst
ixpk= 393, nxpk= 0, iat= 239, 246, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 17 GLU H 17 GLU HG3 4.31 (#peak 394)
&rst
ixpk= 394, nxpk= 0, iat= 239, 247, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 124 PHE HA 124 PHE QD 8.13 (#peak 503)
&rst
ixpk= 503, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 670, 678,
&end
#
# 119 CYSS HB2 124 PHE QD 8.13 (#peak 504)
&rst
ixpk= 504, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 670, 678,
&end
#
# 116 TYR QD 117 LEU HA 7.55 (#peak 505)
&rst
ixpk= 505, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 551, 560,
&end
#
# 9 SER HA 105 HIS HE1 3.55 (#peak 509)
&rst
ixpk= 509, nxpk= 0, iat= 114, 393, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 13 LEU HA 16 LEU HG 4.81 (#peak 515)
&rst
ixpk= 515, nxpk= 0, iat= 165, 227, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 18 ASN H 18 ASN HD22 5.86 (#peak 574)
&rst
ixpk= 574, nxpk= 0, iat= 254, 264, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 8 THR HA 105 HIS HE1 6.00 (#peak 585)
&rst
ixpk= 585, nxpk= 0, iat= 100, 393, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 SER HB3 105 HIS HE1 6.00 (#peak 586)
&rst
ixpk= 586, nxpk= 0, iat= 117, 393, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 SER HB2 105 HIS HE1 6.00 (#peak 587)
&rst
ixpk= 587, nxpk= 0, iat= 116, 393, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 125 PHE HA 125 PHE QD 7.70 (#peak 588)
&rst
ixpk= 588, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr2= 690, 698,
&end
#
# 126 TYR HA 126 TYR QD 6.40 (#peak 589)
&rst
ixpk= 589, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2= 710, 719,
&end
#
# 124 PHE HA 125 PHE QD 8.13 (#peak 590)
&rst
ixpk= 590, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 690, 698,
&end
#
# 9 SER HA 105 HIS HD2 6.80 (#peak 591)
&rst
ixpk= 591, nxpk= 0, iat= 114, 396, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 126 TYR QE 128 PRO HA 8.13 (#peak 593)
&rst
ixpk= 593, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 712, 717,
&end
#
# 16 LEU HA 19 TYR QD 5.68 (#peak 595)
&rst
ixpk= 595, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 276, 285,
&end
#
# 116 TYR HA 124 PHE QE 7.52 (#peak 596)
&rst
ixpk= 596, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 8.44, r4= 8.94,
igr2= 672, 676,
&end
#
# 14 TYR HA 14 TYR QD 6.44 (#peak 597)
&rst
ixpk= 597, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr2= 190, 199,
&end
#
# 116 TYR HA 124 PHE QD 8.13 (#peak 598)
&rst
ixpk= 598, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 670, 678,
&end
#
# 115 LEU HB2 124 PHE QD 8.13 (#peak 600)
&rst
ixpk= 600, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 670, 678,
&end
#
# 115 LEU HB3 124 PHE QD 8.13 (#peak 601)
&rst
ixpk= 601, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 670, 678,
&end
#
# 112 VAL HA 124 PHE QE 8.13 (#peak 607)
&rst
ixpk= 607, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 672, 676,
&end
#
# 15 GLN HA 19 TYR QD 8.13 (#peak 614)
&rst
ixpk= 614, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 276, 285,
&end
#
# 16 LEU HG 19 TYR QD 8.13 (#peak 617)
&rst
ixpk= 617, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 276, 285,
&end
#
# 104 GLN HA 105 HIS HD2 5.35 (#peak 625)
&rst
ixpk= 625, nxpk= 0, iat= 368, 396, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 127 THR H 128 PRO QD 6.89 (#peak 628)
&rst
ixpk= 628, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
igr2= 738, 739,
&end
#
# 10 ILE HG12 105 HIS HE1 6.00 (#peak 630)
&rst
ixpk= 630, nxpk= 0, iat= 133, 393, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 ILE HB 105 HIS HE1 7.00 (#peak 631)
&rst
ixpk= 631, nxpk= 0, iat= 127, 393, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 7 CYSS HB2 108 GLY H 6.00 (#peak 633)
&rst
ixpk= 633, nxpk= 0, iat= 92, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 CYSS HB3 108 GLY H 6.00 (#peak 634)
&rst
ixpk= 634, nxpk= 0, iat= 93, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 ILE H 105 HIS HE1 5.64 (#peak 645)
&rst
ixpk= 645, nxpk= 0, iat= 123, 393, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 124 PHE QD 125 PHE H 8.13 (#peak 649)
&rst
ixpk= 649, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 670, 678,
&end
#
# 124 PHE QD 126 TYR H 8.13 (#peak 650)
&rst
ixpk= 650, nxpk= 0, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 670, 678,
&end
#
# 125 PHE QD 126 TYR H 8.13 (#peak 651)
&rst
ixpk= 651, nxpk= 0, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 690, 698,
&end
#
# 126 TYR QD 127 THR H 8.13 (#peak 652)
&rst
ixpk= 652, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 710, 719,
&end
#
# 125 PHE QD 127 THR H 8.13 (#peak 653)
&rst
ixpk= 653, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 690, 698,
&end
#
# 14 TYR QD 15 GLN H 8.13 (#peak 654)
&rst
ixpk= 654, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 190, 199,
&end
#
# 122 ARG HB3 122 ARG HE 4.63 (#peak 847)
&rst
ixpk= 847, nxpk= 0, iat= 636, 644, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 122 ARG HA 122 ARG HE 5.50 (#peak 667)
&rst
ixpk= 667, nxpk= 0, iat= 633, 644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ARG H 122 ARG HE 6.00 (#peak 668)
&rst
ixpk= 668, nxpk= 0, iat= 631, 644, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 129 LYS H 129 LYS QZ 6.98 (#peak 670)
&rst
ixpk= 670, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
igr2= 767, 768, 769,
&end
#
# 127 THR HB 128 PRO QD 6.89 (#peak 707)
&rst
ixpk= 707, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
igr2= 738, 739,
&end
#
# 16 LEU H 19 TYR QE 8.13 (#peak 738)
&rst
ixpk= 738, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 278, 283,
&end
#
# 104 GLN H 105 HIS HD2 7.00 (#peak 741)
&rst
ixpk= 741, nxpk= 0, iat= 366, 396, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 116 TYR H 124 PHE QE 8.13 (#peak 743)
&rst
ixpk= 743, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 672, 676,
&end
#
# 18 ASN H 18 ASN HD21 5.86 (#peak 751)
&rst
ixpk= 751, nxpk= 0, iat= 254, 263, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 125 PHE QD 126 TYR QD 9.54 (#peak 753)
&rst
ixpk= 753, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.02, r4=12.52,
igr1= 690, 698,
igr2= 710, 719,
&end
#
# 2 ILE H 19 TYR QE 7.59 (#peak 737)
&rst
ixpk= 737, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02,
igr2= 278, 283,
&end
#
# 2 ILE H 19 TYR QD 8.13 (#peak 755)
&rst
ixpk= 755, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 276, 285,
&end
#
# 2 ILE HA 19 TYR QE 7.85 (#peak 756)
&rst
ixpk= 756, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr2= 278, 283,
&end
#
# 16 LEU HA 19 TYR QE 8.06 (#peak 757)
&rst
ixpk= 757, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 9.05, r4= 9.55,
igr2= 278, 283,
&end
#
# 116 TYR QE 117 LEU HA 8.13 (#peak 758)
&rst
ixpk= 758, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 553, 558,
&end
#
# 15 GLN HA 19 TYR QE 7.31 (#peak 762)
&rst
ixpk= 762, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
igr2= 278, 283,
&end
#
# 18 ASN HB2 19 TYR QE 8.13 (#peak 763)
&rst
ixpk= 763, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 278, 283,
&end
#
# 116 TYR QD 120 GLY QA 9.01 (#peak 798)
&rst
ixpk= 798, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.35, r4=11.85,
igr1= 551, 560,
igr2= 611, 612,
&end
#
# 122 ARG HB2 122 ARG HE 4.63 (#peak 664)
&rst
ixpk= 664, nxpk= 0, iat= 635, 644, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 5 GLN H 5 GLN HG3 5.06 (#peak 865)
&rst
ixpk= 865, nxpk= 0, iat= 61, 69, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 106 LEU H 106 LEU HG 4.74 (#peak 159)
&rst
ixpk= 159, nxpk= 0, iat= 400, 407, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 12 SER H 15 GLN HE21 6.00 (#peak 919)
&rst
ixpk= 919, nxpk= 0, iat= 152, 215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 SER H 15 GLN HE22 6.00 (#peak 920)
&rst
ixpk= 920, nxpk= 0, iat= 152, 216, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 ILE HG13 105 HIS HE1 6.00 (#peak 921)
&rst
ixpk= 921, nxpk= 0, iat= 134, 393, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 117 LEU HG 118 VAL H 6.00 (#peak 926)
&rst
ixpk= 926, nxpk= 0, iat= 571, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 105 HIS H 106 LEU HG 5.86 (#peak 938)
&rst
ixpk= 938, nxpk= 0, iat= 383, 407, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 107 CYSS H 110 HIS HD2 6.00 (#peak 954)
&rst
ixpk= 954, nxpk= 0, iat= 419, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 116 TYR H 124 PHE QD 8.13 (#peak 967)
&rst
ixpk= 967, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 670, 678,
&end
#
# 115 LEU H 116 TYR QE 8.13 (#peak 971)
&rst
ixpk= 971, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 553, 558,
&end
#
# 121 GLU H 122 ARG QG 6.88 (#peak 977)
&rst
ixpk= 977, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr2= 638, 639,
&end
#
# 16 LEU HG 17 GLU H 5.50 (#peak 986)
&rst
ixpk= 986, nxpk= 0, iat= 227, 239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 CYSS HA 122 ARG QG 6.88 (#peak 1018)
&rst
ixpk= 1018, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr2= 638, 639,
&end
#
# 119 CYSS HA 122 ARG HE 6.00 (#peak 1020)
&rst
ixpk= 1020, nxpk= 0, iat= 601, 644, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 103 ASN HA 104 GLN QG 6.88 (#peak 1029)
&rst
ixpk= 1029, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr2= 373, 374,
&end
#
# 103 ASN HA 103 ASN HD22 6.00 (#peak 1030)
&rst
ixpk= 1030, nxpk= 0, iat= 354, 362, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 103 ASN HA 103 ASN HD21 6.00 (#peak 1031)
&rst
ixpk= 1031, nxpk= 0, iat= 354, 361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 124 PHE HA 125 PHE QE 8.13 (#peak 1034)
&rst
ixpk= 1034, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 692, 696,
&end
#
# 19 TYR QD 126 TYR HA 8.13 (#peak 1037)
&rst
ixpk= 1037, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 276, 285,
&end
#
# 110 HIS HA 113 GLU HG2 6.00 (#peak 1047)
&rst
ixpk= 1047, nxpk= 0, iat= 449, 506, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 110 HIS HA 113 GLU HG3 6.00 (#peak 1048)
&rst
ixpk= 1048, nxpk= 0, iat= 449, 507, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 ILE HB 105 HIS HA 5.86 (#peak 1055)
&rst
ixpk= 1055, nxpk= 0, iat= 127, 385, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 105 HIS HA 106 LEU HG 6.00 (#peak 1056)
&rst
ixpk= 1056, nxpk= 0, iat= 385, 407, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 126 TYR QD 128 PRO HA 8.13 (#peak 1078)
&rst
ixpk= 1078, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 710, 719,
&end
#
# 129 LYS HA 129 LYS QD 6.88 (#peak 1082)
&rst
ixpk= 1082, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr2= 761, 762,
&end
#
# 129 LYS HA 129 LYS QE 6.88 (#peak 1083)
&rst
ixpk= 1083, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr2= 764, 765,
&end
#
# 121 GLU HG3 122 ARG HA 5.68 (#peak 1092)
&rst
ixpk= 1092, nxpk= 0, iat= 624, 633, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 121 GLU HG2 122 ARG HA 5.28 (#peak 1093)
&rst
ixpk= 1093, nxpk= 0, iat= 623, 633, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 14 TYR QD 15 GLN HA 8.13 (#peak 1124)
&rst
ixpk= 1124, nxpk= 0, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 190, 199,
&end
#
# 115 LEU HA 116 TYR QE 8.13 (#peak 1128)
&rst
ixpk= 1128, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 553, 558,
&end
#
# 109 SER QB 110 HIS HD2 6.88 (#peak 1139)
&rst
ixpk= 1139, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1= 440, 441,
&end
#
# 126 TYR QE 128 PRO QD 9.02 (#peak 1148)
&rst
ixpk= 1148, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.36, r4=11.86,
igr1= 712, 717,
igr2= 738, 739,
&end
#
# 126 TYR QD 128 PRO QD 9.02 (#peak 1149)
&rst
ixpk= 1149, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.36, r4=11.86,
igr1= 710, 719,
igr2= 738, 739,
&end
#
# 116 TYR QB 124 PHE QD 9.01 (#peak 1185)
&rst
ixpk= 1185, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.35, r4=11.85,
igr1= 547, 548,
igr2= 670, 678,
&end
#
# 116 TYR QB 124 PHE QE 9.01 (#peak 1187)
&rst
ixpk= 1187, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.35, r4=11.85,
igr1= 547, 548,
igr2= 672, 676,
&end
#
# 119 CYSS HB3 124 PHE QD 8.13 (#peak 1214)
&rst
ixpk= 1214, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 670, 678,
&end
#
# 18 ASN HB3 19 TYR QE 8.13 (#peak 1231)
&rst
ixpk= 1231, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 278, 283,
&end
#
# 15 GLN H 15 GLN HG3 3.88 (#peak 1234)
&rst
ixpk= 1234, nxpk= 0, iat= 203, 211, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 126 TYR QE 128 PRO HB2 8.13 (#peak 1235)
&rst
ixpk= 1235, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 712, 717,
&end
#
# 126 TYR QE 128 PRO HB3 8.13 (#peak 1284)
&rst
ixpk= 1284, nxpk= 0, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 712, 717,
&end
#
# 116 TYR QD 117 LEU HG 6.98 (#peak 1303)
&rst
ixpk= 1303, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 551, 560,
&end
#
# 15 GLN H 16 LEU HG 6.00 (#peak 1311)
&rst
ixpk= 1311, nxpk= 0, iat= 203, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 LEU HB2 124 PHE QE 8.13 (#peak 1338)
&rst
ixpk= 1338, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 672, 676,
&end
#
# 104 GLN H 104 GLN QG 5.62 (#peak 582)
&rst
ixpk= 582, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2= 373, 374,
&end
#
# 115 LEU HG 116 TYR H 6.00 (#peak 1374)
&rst
ixpk= 1374, nxpk= 0, iat= 531, 543, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 111 LEU HG 112 VAL HA 6.00 (#peak 1387)
&rst
ixpk= 1387, nxpk= 0, iat= 471, 485, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 111 LEU HG 115 LEU H 5.42 (#peak 1388)
&rst
ixpk= 1388, nxpk= 0, iat= 471, 524, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 111 LEU HG 116 TYR H 7.00 (#peak 1390)
&rst
ixpk= 1390, nxpk= 0, iat= 471, 543, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 2 ILE HB 19 TYR QE 8.13 (#peak 1401)
&rst
ixpk= 1401, nxpk= 0, iat= 15, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 278, 283,
&end
#
# 2 ILE HB 19 TYR QD 8.13 (#peak 1402)
&rst
ixpk= 1402, nxpk= 0, iat= 15, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 276, 285,
&end
#
# 115 LEU HB3 124 PHE QE 8.13 (#peak 1409)
&rst
ixpk= 1409, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 672, 676,
&end
#
# 10 ILE H 10 ILE QD1 5.18 (#peak 144)
&rst
ixpk= 144, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 136, 137, 138,
&end
#
# 10 ILE H 10 ILE QG2 5.36 (#peak 143)
&rst
ixpk= 143, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 129, 130, 131,
&end
#
# 10 ILE QG2 11 CYSS H 5.76 (#peak 878)
&rst
ixpk= 878, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 129, 130, 131,
&end
#
# 112 VAL H 112 VAL QG1 4.82 (#peak 187)
&rst
ixpk= 187, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 489, 490, 491,
&end
#
# 112 VAL H 112 VAL QG2 4.82 (#peak 188)
&rst
ixpk= 188, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 493, 494, 495,
&end
#
# 114 ALA H 114 ALA QB 3.60 (#peak 198)
&rst
ixpk= 198, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 518, 519, 520,
&end
#
# 114 ALA QB 115 LEU H 4.35 (#peak 970)
&rst
ixpk= 970, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 518, 519, 520,
&end
#
# 118 VAL H 118 VAL QG1 4.14 (#peak 924)
&rst
ixpk= 924, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 589, 590, 591,
&end
#
# 118 VAL H 118 VAL QG2 4.14 (#peak 218)
&rst
ixpk= 218, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 593, 594, 595,
&end
#
# 118 VAL QG1 119 CYSS H 5.18 (#peak 221)
&rst
ixpk= 221, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 589, 590, 591,
&end
#
# 118 VAL QG2 119 CYSS H 5.18 (#peak 222)
&rst
ixpk= 222, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 593, 594, 595,
&end
#
# 127 THR H 127 THR QG2 6.41 (#peak 235)
&rst
ixpk= 235, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 729, 730, 731,
&end
#
# 130 THR H 130 THR QG2 6.77 (#peak 236)
&rst
ixpk= 236, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
igr2= 779, 780, 781,
&end
#
# 112 VAL HA 112 VAL QG1 4.17 (#peak 318)
&rst
ixpk= 318, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 489, 490, 491,
&end
#
# 118 VAL HA 118 VAL QG1 4.07 (#peak 254)
&rst
ixpk= 254, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 589, 590, 591,
&end
#
# 112 VAL HA 112 VAL QG2 4.17 (#peak 319)
&rst
ixpk= 319, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 493, 494, 495,
&end
#
# 118 VAL HA 118 VAL QG2 4.07 (#peak 255)
&rst
ixpk= 255, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 593, 594, 595,
&end
#
# 118 VAL QG2 119 CYSS HA 7.02 (#peak 337)
&rst
ixpk= 337, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 593, 594, 595,
&end
#
# 16 LEU HA 16 LEU QD1 4.75 (#peak 376)
&rst
ixpk= 376, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 229, 230, 231,
&end
#
# 16 LEU HA 16 LEU QD2 4.75 (#peak 377)
&rst
ixpk= 377, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 233, 234, 235,
&end
#
# 13 LEU H 13 LEU QD2 5.51 (#peak 132)
&rst
ixpk= 132, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 176, 177, 178,
&end
#
# 8 THR H 8 THR QG2 5.18 (#peak 396)
&rst
ixpk= 396, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 104, 105, 106,
&end
#
# 8 THR HA 8 THR QG2 4.10 (#peak 399)
&rst
ixpk= 399, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 104, 105, 106,
&end
#
# 3 VAL H 3 VAL QG2 4.86 (#peak 407)
&rst
ixpk= 407, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 40, 41, 42,
&end
#
# 3 VAL HA 3 VAL QG1 4.25 (#peak 256)
&rst
ixpk= 256, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 36, 37, 38,
&end
#
# 3 VAL HA 3 VAL QG2 4.25 (#peak 410)
&rst
ixpk= 410, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 40, 41, 42,
&end
#
# 2 ILE H 2 ILE QG2 4.28 (#peak 933)
&rst
ixpk= 933, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 17, 18, 19,
&end
#
# 13 LEU H 13 LEU QD1 5.51 (#peak 906)
&rst
ixpk= 906, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 172, 173, 174,
&end
#
# 115 LEU HA 115 LEU QD1 5.18 (#peak 531)
&rst
ixpk= 531, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 533, 534, 535,
&end
#
# 115 LEU HA 115 LEU QD2 5.18 (#peak 532)
&rst
ixpk= 532, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 537, 538, 539,
&end
#
# 8 THR QG2 9 SER H 6.08 (#peak 554)
&rst
ixpk= 554, nxpk= 0, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 104, 105, 106,
&end
#
# 115 LEU H 115 LEU QD1 5.69 (#peak 563)
&rst
ixpk= 563, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2= 533, 534, 535,
&end
#
# 115 LEU QD1 116 TYR H 7.02 (#peak 564)
&rst
ixpk= 564, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 533, 534, 535,
&end
#
# 117 LEU HA 117 LEU QD1 4.79 (#peak 566)
&rst
ixpk= 566, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 573, 574, 575,
&end
#
# 112 VAL QG1 124 PHE QE 9.15 (#peak 609)
&rst
ixpk= 609, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.33, r4=12.83,
igr1= 489, 490, 491,
igr2= 672, 676,
&end
#
# 16 LEU QD2 19 TYR QD 9.15 (#peak 620)
&rst
ixpk= 620, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.33, r4=12.83,
igr1= 233, 234, 235,
igr2= 276, 285,
&end
#
# 19 TYR QD 115 LEU QD1 9.15 (#peak 621)
&rst
ixpk= 621, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.33, r4=12.83,
igr1= 276, 285,
igr2= 533, 534, 535,
&end
#
# 10 ILE QG2 105 HIS HD2 7.02 (#peak 623)
&rst
ixpk= 623, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 129, 130, 131,
&end
#
# 113 GLU H 114 ALA QB 5.90 (#peak 636)
&rst
ixpk= 636, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 518, 519, 520,
&end
#
# 114 ALA QB 116 TYR H 5.36 (#peak 637)
&rst
ixpk= 637, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 518, 519, 520,
&end
#
# 4 GLU HA 8 THR QG2 5.83 (#peak 658)
&rst
ixpk= 658, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 104, 105, 106,
&end
#
# 8 THR QG2 9 SER HA 7.02 (#peak 660)
&rst
ixpk= 660, nxpk= 0, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 104, 105, 106,
&end
#
# 10 ILE HA 10 ILE QD1 4.86 (#peak 671)
&rst
ixpk= 671, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 136, 137, 138,
&end
#
# 10 ILE QG2 103 ASN HA 6.19 (#peak 673)
&rst
ixpk= 673, nxpk= 0, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1= 129, 130, 131,
&end
#
# 10 ILE QD1 105 HIS HA 5.51 (#peak 674)
&rst
ixpk= 674, nxpk= 0, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 136, 137, 138,
&end
#
# 10 ILE QG2 105 HIS HA 6.37 (#peak 675)
&rst
ixpk= 675, nxpk= 0, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,
igr1= 129, 130, 131,
&end
#
# 16 LEU HA 115 LEU QD1 6.98 (#peak 677)
&rst
ixpk= 677, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
igr2= 533, 534, 535,
&end
#
# 3 VAL HA 111 LEU QD2 5.33 (#peak 681)
&rst
ixpk= 681, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 477, 478, 479,
&end
#
# 4 GLU HB2 8 THR QG2 7.02 (#peak 691)
&rst
ixpk= 691, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 104, 105, 106,
&end
#
# 4 GLU HB3 8 THR QG2 7.02 (#peak 692)
&rst
ixpk= 692, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 104, 105, 106,
&end
#
# 111 LEU HG 115 LEU QD2 6.30 (#peak 696)
&rst
ixpk= 696, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2= 537, 538, 539,
&end
#
# 10 ILE QD1 105 HIS HD2 6.01 (#peak 622)
&rst
ixpk= 622, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1= 136, 137, 138,
&end
#
# 19 TYR QD 115 LEU QD2 9.15 (#peak 729)
&rst
ixpk= 729, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.33, r4=12.83,
igr1= 276, 285,
igr2= 537, 538, 539,
&end
#
# 2 ILE QD1 19 TYR QD 9.11 (#peak 730)
&rst
ixpk= 730, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.28, r4=12.78,
igr1= 24, 25, 26,
igr2= 276, 285,
&end
#
# 16 LEU QD1 19 TYR QD 9.15 (#peak 732)
&rst
ixpk= 732, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.33, r4=12.83,
igr1= 229, 230, 231,
igr2= 276, 285,
&end
#
# 2 ILE QD1 19 TYR QE 9.15 (#peak 760)
&rst
ixpk= 760, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.33, r4=12.83,
igr1= 24, 25, 26,
igr2= 278, 283,
&end
#
# 112 VAL QG2 124 PHE QE 9.15 (#peak 608)
&rst
ixpk= 608, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.33, r4=12.83,
igr1= 493, 494, 495,
igr2= 672, 676,
&end
#
# 111 LEU H 111 LEU QD2 7.02 (#peak 775)
&rst
ixpk= 775, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 477, 478, 479,
&end
#
# 111 LEU H 111 LEU QD1 7.02 (#peak 774)
&rst
ixpk= 774, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 473, 474, 475,
&end
#
# 10 ILE QG2 104 GLN H 6.44 (#peak 780)
&rst
ixpk= 780, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
igr1= 129, 130, 131,
&end
#
# 10 ILE QD1 104 GLN H 7.02 (#peak 782)
&rst
ixpk= 782, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 136, 137, 138,
&end
#
# 115 LEU QD2 116 TYR H 7.02 (#peak 783)
&rst
ixpk= 783, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 537, 538, 539,
&end
#
# 10 ILE QD1 105 HIS H 6.80 (#peak 785)
&rst
ixpk= 785, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1= 136, 137, 138,
&end
#
# 3 VAL H 3 VAL QG1 4.86 (#peak 792)
&rst
ixpk= 792, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 36, 37, 38,
&end
#
# 19 TYR H 115 LEU QD2 7.02 (#peak 794)
&rst
ixpk= 794, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 537, 538, 539,
&end
#
# 2 ILE QD1 19 TYR H 7.02 (#peak 795)
&rst
ixpk= 795, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 24, 25, 26,
&end
#
# 19 TYR H 115 LEU QD1 7.52 (#peak 796)
&rst
ixpk= 796, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 9.03, r4= 9.53,
igr2= 533, 534, 535,
&end
#
# 2 ILE QD1 3 VAL H 7.02 (#peak 801)
&rst
ixpk= 801, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 24, 25, 26,
&end
#
# 7 CYSS H 8 THR QG2 6.37 (#peak 803)
&rst
ixpk= 803, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,
igr2= 104, 105, 106,
&end
#
# 10 ILE QD1 105 HIS HE1 7.02 (#peak 806)
&rst
ixpk= 806, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 136, 137, 138,
&end
#
# 10 ILE QG2 105 HIS HE1 7.02 (#peak 807)
&rst
ixpk= 807, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 129, 130, 131,
&end
#
# 10 ILE QG2 12 SER H 7.02 (#peak 808)
&rst
ixpk= 808, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 129, 130, 131,
&end
#
# 3 VAL HA 111 LEU QD1 5.33 (#peak 811)
&rst
ixpk= 811, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 473, 474, 475,
&end
#
# 127 THR QG2 128 PRO QD 7.37 (#peak 812)
&rst
ixpk= 812, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43,
igr1= 729, 730, 731,
igr2= 738, 739,
&end
#
# 111 LEU QD1 112 VAL HA 6.15 (#peak 819)
&rst
ixpk= 819, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 473, 474, 475,
&end
#
# 111 LEU QD2 112 VAL HA 6.15 (#peak 821)
&rst
ixpk= 821, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 477, 478, 479,
&end
#
# 114 ALA QB 115 LEU QD2 8.04 (#peak 829)
&rst
ixpk= 829, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.60, r4=12.10,
igr1= 518, 519, 520,
igr2= 537, 538, 539,
&end
#
# 114 ALA QB 118 VAL H 6.23 (#peak 860)
&rst
ixpk= 860, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr1= 518, 519, 520,
&end
#
# 108 GLY H 111 LEU QD2 6.33 (#peak 881)
&rst
ixpk= 881, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr2= 477, 478, 479,
&end
#
# 108 GLY H 111 LEU QD1 6.33 (#peak 635)
&rst
ixpk= 635, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr2= 473, 474, 475,
&end
#
# 115 LEU QD2 119 CYSS H 7.02 (#peak 894)
&rst
ixpk= 894, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 537, 538, 539,
&end
#
# 115 LEU QD1 119 CYSS H 7.02 (#peak 895)
&rst
ixpk= 895, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 533, 534, 535,
&end
#
# 2 ILE QD1 12 SER H 7.02 (#peak 913)
&rst
ixpk= 913, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 24, 25, 26,
&end
#
# 8 THR QG2 105 HIS HE1 7.02 (#peak 922)
&rst
ixpk= 922, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 104, 105, 106,
&end
#
# 2 ILE H 2 ILE QD1 5.87 (#peak 932)
&rst
ixpk= 932, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2= 24, 25, 26,
&end
#
# 10 ILE QD1 103 ASN H 7.02 (#peak 946)
&rst
ixpk= 946, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 136, 137, 138,
&end
#
# 3 VAL QG1 5 GLN H 7.02 (#peak 948)
&rst
ixpk= 948, nxpk= 0, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 36, 37, 38,
&end
#
# 3 VAL QG2 5 GLN H 7.02 (#peak 949)
&rst
ixpk= 949, nxpk= 0, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 40, 41, 42,
&end
#
# 2 ILE QD1 6 CYSS H 7.02 (#peak 959)
&rst
ixpk= 959, nxpk= 0, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 24, 25, 26,
&end
#
# 115 LEU H 115 LEU QD2 5.69 (#peak 969)
&rst
ixpk= 969, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2= 537, 538, 539,
&end
#
# 107 CYSS HA 111 LEU QD1 7.02 (#peak 1007)
&rst
ixpk= 1007, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 473, 474, 475,
&end
#
# 107 CYSS HA 111 LEU QD2 7.02 (#peak 1008)
&rst
ixpk= 1008, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 477, 478, 479,
&end
#
# 3 VAL QG2 107 CYSS HA 7.02 (#peak 1009)
&rst
ixpk= 1009, nxpk= 0, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 40, 41, 42,
&end
#
# 3 VAL QG1 107 CYSS HA 7.02 (#peak 1012)
&rst
ixpk= 1012, nxpk= 0, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 36, 37, 38,
&end
#
# 7 CYSS HA 8 THR QG2 7.02 (#peak 1014)
&rst
ixpk= 1014, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 104, 105, 106,
&end
#
# 118 VAL QG1 119 CYSS HA 7.02 (#peak 1017)
&rst
ixpk= 1017, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 589, 590, 591,
&end
#
# 9 SER HA 10 ILE QD1 7.02 (#peak 1026)
&rst
ixpk= 1026, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 136, 137, 138,
&end
#
# 9 SER HA 10 ILE QG2 6.59 (#peak 1027)
&rst
ixpk= 1027, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr2= 129, 130, 131,
&end
#
# 10 ILE QD1 103 ASN HA 7.02 (#peak 1028)
&rst
ixpk= 1028, nxpk= 0, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 136, 137, 138,
&end
#
# 10 ILE QG2 12 SER HA 7.02 (#peak 1035)
&rst
ixpk= 1035, nxpk= 0, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 129, 130, 131,
&end
#
# 110 HIS HA 114 ALA QB 7.02 (#peak 1049)
&rst
ixpk= 1049, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 518, 519, 520,
&end
#
# 105 HIS HA 106 LEU QD2 6.79 (#peak 1051)
&rst
ixpk= 1051, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,
igr2= 413, 414, 415,
&end
#
# 106 LEU HA 106 LEU QD2 6.41 (#peak 1052)
&rst
ixpk= 1052, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 413, 414, 415,
&end
#
# 105 HIS HA 106 LEU QD1 5.79 (#peak 1053)
&rst
ixpk= 1053, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr2= 409, 410, 411,
&end
#
# 106 LEU HA 106 LEU QD1 6.41 (#peak 1062)
&rst
ixpk= 1062, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 409, 410, 411,
&end
#
# 102 VAL QQG 104 GLN HA 9.10 (#peak 1075)
&rst
ixpk= 1075, nxpk= 0, iat= 339, 368, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60, &end
#
# 10 ILE QG2 104 GLN HA 7.02 (#peak 1077)
&rst
ixpk= 1077, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 129, 130, 131,
&end
#
# 127 THR QG2 128 PRO HA 7.02 (#peak 1079)
&rst
ixpk= 1079, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 729, 730, 731,
&end
#
# 101 PHE HA 102 VAL QQG 8.10 (#peak 1085)
&rst
ixpk= 1085, nxpk= 0, iat= 318, 339, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60, &end
#
# 16 LEU HA 115 LEU QD2 6.98 (#peak 1094)
&rst
ixpk= 1094, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
igr2= 537, 538, 539,
&end
#
# 2 ILE QD1 16 LEU HA 6.91 (#peak 1095)
&rst
ixpk= 1095, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 24, 25, 26,
&end
#
# 115 LEU HA 118 VAL QG2 5.47 (#peak 1129)
&rst
ixpk= 1129, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 593, 594, 595,
&end
#
# 2 ILE HA 2 ILE QD1 5.65 (#peak 1135)
&rst
ixpk= 1135, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 24, 25, 26,
&end
#
# 112 VAL HA 114 ALA QB 7.02 (#peak 1155)
&rst
ixpk= 1155, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 518, 519, 520,
&end
#
# 117 LEU HA 117 LEU QD2 4.79 (#peak 1192)
&rst
ixpk= 1192, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 577, 578, 579,
&end
#
# 17 GLU HG3 118 VAL QG2 6.37 (#peak 1250)
&rst
ixpk= 1250, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,
igr2= 593, 594, 595,
&end
#
# 102 VAL QQG 104 GLN QG 8.98 (#peak 1251)
&rst
ixpk= 1251, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2= 373, 374,
&end
#
# 114 ALA QB 118 VAL HB 6.19 (#peak 1262)
&rst
ixpk= 1262, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1= 518, 519, 520,
&end
#
# 16 LEU HG 114 ALA QB 5.18 (#peak 1313)
&rst
ixpk= 1313, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 518, 519, 520,
&end
#
# 102 VAL QQG 103 ASN H 7.06 (#peak 427)
&rst
ixpk= 427, nxpk= 0, iat= 339, 352, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, &end
#
# 10 ILE QG2 103 ASN H 7.02 (#peak 1341)
&rst
ixpk= 1341, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 129, 130, 131,
&end
#
# 114 ALA QB 115 LEU QD1 8.04 (#peak 1377)
&rst
ixpk= 1377, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.60, r4=12.10,
igr1= 518, 519, 520,
igr2= 533, 534, 535,
&end
#
# 111 LEU HA 114 ALA QB 5.36 (#peak 521)
&rst
ixpk= 521, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 518, 519, 520,
&end
#
# 114 ALA QB 117 LEU QD1 8.04 (#peak 1382)
&rst
ixpk= 1382, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.60, r4=12.10,
igr1= 518, 519, 520,
igr2= 573, 574, 575,
&end
#
# 114 ALA QB 117 LEU QD2 8.04 (#peak 1383)
&rst
ixpk= 1383, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.60, r4=12.10,
igr1= 518, 519, 520,
igr2= 577, 578, 579,
&end
#
# 111 LEU HG 112 VAL QG1 6.44 (#peak 1392)
&rst
ixpk= 1392, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
igr2= 489, 490, 491,
&end
#
# 111 LEU HG 112 VAL QG2 6.44 (#peak 1394)
&rst
ixpk= 1394, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
igr2= 493, 494, 495,
&end
#
# 111 LEU HG 115 LEU QD1 6.30 (#peak 1395)
&rst
ixpk= 1395, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2= 533, 534, 535,
&end
#
# 2 ILE QD1 111 LEU HG 5.65 (#peak 1396)
&rst
ixpk= 1396, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 24, 25, 26,
&end
#
# 130 THR QG2 131 LYS H 7.02 (#peak 1415)
&rst
ixpk= 1415, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 779, 780, 781,
&end
#
# 17 GLU HG3 118 VAL QG1 6.37 (#peak 1249)
&rst
ixpk= 1249, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,
igr2= 589, 590, 591,
&end
#
# 115 LEU HA 118 VAL QG1 5.47 (#peak 680)
&rst
ixpk= 680, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 589, 590, 591,
&end
#
# 10 ILE QG2 103 ASN HB3 6.12 (#peak 687)
&rst
ixpk= 687, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 129, 130, 131,
&end
#
# 10 ILE QG2 103 ASN HB2 6.12 (#peak 686)
&rst
ixpk= 686, nxpk= 0, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 129, 130, 131,
&end
#
# 10 ILE QD1 11 CYSS H 7.02 (#peak 1446)
&rst
ixpk= 1446, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 136, 137, 138,
&end
#
# 4 GLU HG2 8 THR QG2 7.02 (#peak 1452)
&rst
ixpk= 1452, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 104, 105, 106,
&end
#
# 4 GLU HG3 8 THR QG2 7.02 (#peak 688)
&rst
ixpk= 688, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 104, 105, 106,
&end
#
# 17 GLU HG2 118 VAL QG2 6.37 (#peak 1437)
&rst
ixpk= 1437, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,
igr2= 593, 594, 595,
&end
#
# 17 GLU HG2 118 VAL QG1 6.37 (#peak 1418)
&rst
ixpk= 1418, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,
igr2= 589, 590, 591,
&end
#
# 1 GLY QA 2 ILE H 3.00 (#peak 874)
&rst
ixpk= 874, nxpk= 0, iat= -1, 11, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 6, 7,
&end
#
# 2 ILE H 2 ILE QG1 4.87 (#peak 416)
&rst
ixpk= 416, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 21, 22,
&end
#
# 2 ILE HA 5 GLN QB 3.71 (#peak 1271)
&rst
ixpk= 1271, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 65, 66,
&end
#
# 2 ILE QG1 3 VAL H 5.37 (#peak 996)
&rst
ixpk= 996, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 21, 22,
&end
#
# 2 ILE QG1 6 CYSS H 5.21 (#peak 960)
&rst
ixpk= 960, nxpk= 0, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 21, 22,
&end
#
# 2 ILE QG1 11 CYSS QB 5.61 (#peak 1173)
&rst
ixpk= 1173, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 21, 22,
igr2= 146, 147,
&end
#
# 2 ILE QD1 5 GLN QB 6.75 (#peak 1265)
&rst
ixpk= 1265, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
igr1= 24, 25, 26,
igr2= 65, 66,
&end
#
# 2 ILE QD1 11 CYSS QB 6.75 (#peak 1172)
&rst
ixpk= 1172, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
igr1= 24, 25, 26,
igr2= 146, 147,
&end
#
# 2 ILE QD1 15 GLN QB 6.75 (#peak 1272)
&rst
ixpk= 1272, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
igr1= 24, 25, 26,
igr2= 207, 208,
&end
#
# 2 ILE QD1 19 TYR QB 4.98 (#peak 685)
&rst
ixpk= 685, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 24, 25, 26,
igr2= 272, 273,
&end
#
# 3 VAL H 3 VAL QQG 3.99 (#peak 792)
&rst
ixpk= 792, nxpk= 0, iat= 30, 33, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 3 VAL HA 111 LEU QQD 4.48 (#peak 811)
&rst
ixpk= 811, nxpk= 0, iat= 32, 470, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 3 VAL QQG 4 GLU H 6.14 (#peak 1463)
&rst
ixpk= 1463, nxpk= 0, iat= 33, 46, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 3 VAL QQG 4 GLU HA 5.11 (#peak 676)
&rst
ixpk= 676, nxpk= 0, iat= 33, 48, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 3 VAL QQG 4 GLU QG 6.62 (#peak 1456)
&rst
ixpk= 1456, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr2= 53, 54,
&end
#
# 3 VAL QQG 5 GLN H 6.19 (#peak 949)
&rst
ixpk= 949, nxpk= 0, iat= 33, 61, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, &end
#
# 3 VAL QQG 6 CYSS QB 6.28 (#peak 684)
&rst
ixpk= 684, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2= 82, 83,
&end
#
# 3 VAL QQG 7 CYSS H 6.90 (#peak 945)
&rst
ixpk= 945, nxpk= 0, iat= 33, 88, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end
#
# 3 VAL QQG 111 LEU HG 6.90 (#peak 1397)
&rst
ixpk= 1397, nxpk= 0, iat= 33, 471, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end
#
# 3 VAL QQG 128 PRO QB 5.90 (#peak 1285)
&rst
ixpk= 1285, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 744, 745,
&end
#
# 4 GLU H 6 CYSS QB 5.81 (#peak 980)
&rst
ixpk= 980, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 82, 83,
&end
#
# 4 GLU HA 7 CYSS QB 4.90 (#peak 1462)
&rst
ixpk= 1462, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 92, 93,
&end
#
# 4 GLU QG 8 THR QG2 6.19 (#peak 688)
&rst
ixpk= 688, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1= 53, 54,
igr2= 104, 105, 106,
&end
#
# 4 GLU QG 129 LYS H 7.21 (#peak 1455)
&rst
ixpk= 1455, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 53, 54,
&end
#
# 5 GLN H 5 GLN QG 4.37 (#peak 865)
&rst
ixpk= 865, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 68, 69,
&end
#
# 5 GLN QB 5 GLN QE2 4.39 (#peak 570)
&rst
ixpk= 570, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 65, 66,
igr2= 73, 74,
&end
#
# 5 GLN QB 6 CYSS H 3.33 (#peak 1269)
&rst
ixpk= 1269, nxpk= 0, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 65, 66,
&end
#
# 5 GLN QB 11 CYSS QB 6.75 (#peak 1267)
&rst
ixpk= 1267, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00,
igr1= 65, 66,
igr2= 146, 147,
&end
#
# 5 GLN QG 6 CYSS H 4.81 (#peak 1350)
&rst
ixpk= 1350, nxpk= 0, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 68, 69,
&end
#
# 5 GLN QG 11 CYSS QB 4.40 (#peak 1195)
&rst
ixpk= 1195, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 68, 69,
igr2= 146, 147,
&end
#
# 5 GLN QE2 11 CYSS QB 7.61 (#peak 1171)
&rst
ixpk= 1171, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.59, r4=10.09,
igr1= 73, 74,
igr2= 146, 147,
&end
#
# 6 CYSS H 7 CYSS QB 5.37 (#peak 962)
&rst
ixpk= 962, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 92, 93,
&end
#
# 6 CYSS H 111 LEU QQD 6.97 (#peak 964)
&rst
ixpk= 964, nxpk= 0, iat= 78, 470, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, &end
#
# 6 CYSS HA 11 CYSS QB 4.32 (#peak 705)
&rst
ixpk= 705, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 146, 147,
&end
#
# 6 CYSS QB 7 CYSS H 3.98 (#peak 1355)
&rst
ixpk= 1355, nxpk= 0, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 82, 83,
&end
#
# 6 CYSS QB 106 LEU QB 3.78 (#peak 1318)
&rst
ixpk= 1318, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 82, 83,
igr2= 404, 405,
&end
#
# 6 CYSS QB 106 LEU QQD 4.80 (#peak 1167)
&rst
ixpk= 1167, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 82, 83,
&end
#
# 6 CYSS QB 111 LEU QQD 4.14 (#peak 699)
&rst
ixpk= 699, nxpk= 0, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 82, 83,
&end
#
# 7 CYSS H 7 CYSS QB 2.92 (#peak 541)
&rst
ixpk= 541, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 92, 93,
&end
#
# 7 CYSS HA 105 HIS QB 4.27 (#peak 529)
&rst
ixpk= 529, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 387, 388,
&end
#
# 7 CYSS HA 107 CYSS QB 4.94 (#peak 1015)
&rst
ixpk= 1015, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 423, 424,
&end
#
# 7 CYSS QB 8 THR H 3.06 (#peak 107)
&rst
ixpk= 107, nxpk= 0, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1= 92, 93,
&end
#
# 7 CYSS QB 8 THR QG2 5.59 (#peak 663)
&rst
ixpk= 663, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 92, 93,
igr2= 104, 105, 106,
&end
#
# 7 CYSS QB 107 CYSS H 5.89 (#peak 957)
&rst
ixpk= 957, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 92, 93,
&end
#
# 7 CYSS QB 107 CYSS HA 4.60 (#peak 300)
&rst
ixpk= 300, nxpk= 0, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 92, 93,
&end
#
# 7 CYSS QB 107 CYSS QB 5.61 (#peak 1147)
&rst
ixpk= 1147, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 92, 93,
igr2= 423, 424,
&end
#
# 8 THR H 9 SER QB 5.46 (#peak 1141)
&rst
ixpk= 1141, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2= 116, 117,
&end
#
# 8 THR QG2 9 SER QB 6.75 (#peak 661)
&rst
ixpk= 661, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
igr1= 104, 105, 106,
igr2= 116, 117,
&end
#
# 9 SER HA 10 ILE QG1 5.81 (#peak 1023)
&rst
ixpk= 1023, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 133, 134,
&end
#
# 9 SER QB 10 ILE H 4.28 (#peak 142)
&rst
ixpk= 142, nxpk= 0, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 116, 117,
&end
#
# 9 SER QB 10 ILE QG2 6.75 (#peak 1143)
&rst
ixpk= 1143, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
igr1= 116, 117,
igr2= 129, 130, 131,
&end
#
# 9 SER QB 10 ILE QG1 5.61 (#peak 1142)
&rst
ixpk= 1142, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 116, 117,
igr2= 133, 134,
&end
#
# 10 ILE H 10 ILE QG1 4.83 (#peak 845)
&rst
ixpk= 845, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 133, 134,
&end
#
# 10 ILE QG2 103 ASN QB 5.29 (#peak 686)
&rst
ixpk= 686, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 129, 130, 131,
igr2= 356, 357,
&end
#
# 10 ILE QD1 103 ASN QB 6.75 (#peak 1229)
&rst
ixpk= 1229, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
igr1= 136, 137, 138,
igr2= 356, 357,
&end
#
# 11 CYSS HA 15 GLN QB 5.04 (#peak 1238)
&rst
ixpk= 1238, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 207, 208,
&end
#
# 11 CYSS HA 15 GLN QG 5.81 (#peak 1237)
&rst
ixpk= 1237, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 210, 211,
&end
#
# 11 CYSS QB 15 GLN QB 4.23 (#peak 1161)
&rst
ixpk= 1161, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 146, 147,
igr2= 207, 208,
&end
#
# 11 CYSS QB 15 GLN QG 5.61 (#peak 1241)
&rst
ixpk= 1241, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 146, 147,
igr2= 210, 211,
&end
#
# 11 CYSS QB 16 LEU HG 5.81 (#peak 1176)
&rst
ixpk= 1176, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 146, 147,
&end
#
# 11 CYSS QB 16 LEU QQD 6.62 (#peak 1200)
&rst
ixpk= 1200, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1= 146, 147,
&end
#
# 12 SER H 15 GLN QB 3.11 (#peak 916)
&rst
ixpk= 916, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 207, 208,
&end
#
# 12 SER H 15 GLN QG 4.14 (#peak 915)
&rst
ixpk= 915, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 210, 211,
&end
#
# 12 SER HA 13 LEU QB 4.63 (#peak 1036)
&rst
ixpk= 1036, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 167, 168,
&end
#
# 12 SER QB 13 LEU H 3.65 (#peak 909)
&rst
ixpk= 909, nxpk= 0, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 156, 157,
&end
#
# 12 SER QB 14 TYR H 3.26 (#peak 511)
&rst
ixpk= 511, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 156, 157,
&end
#
# 12 SER QB 14 TYR QD 7.77 (#peak 1086)
&rst
ixpk= 1086, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
igr1= 156, 157,
igr2= 190, 199,
&end
#
# 12 SER QB 14 TYR QE 7.78 (#peak 1087)
&rst
ixpk= 1087, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 156, 157,
igr2= 192, 197,
&end
#
# 12 SER QB 15 GLN H 4.26 (#peak 512)
&rst
ixpk= 512, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 156, 157,
&end
#
# 13 LEU H 13 LEU QB 2.79 (#peak 907)
&rst
ixpk= 907, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2= 167, 168,
&end
#
# 13 LEU H 13 LEU QQD 4.56 (#peak 132)
&rst
ixpk= 132, nxpk= 0, iat= 163, 169, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 13 LEU H 14 TYR QB 4.90 (#peak 1207)
&rst
ixpk= 1207, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 186, 187,
&end
#
# 13 LEU HA 13 LEU QQD 4.26 (#peak 824)
&rst
ixpk= 824, nxpk= 0, iat= 165, 169, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 13 LEU HA 16 LEU QB 4.22 (#peak 516)
&rst
ixpk= 516, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 224, 225,
&end
#
# 13 LEU QB 14 TYR H 2.92 (#peak 128)
&rst
ixpk= 128, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 167, 168,
&end
#
# 13 LEU QB 14 TYR HA 4.93 (#peak 1098)
&rst
ixpk= 1098, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 167, 168,
&end
#
# 13 LEU QB 14 TYR QD 7.77 (#peak 1375)
&rst
ixpk= 1375, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
igr1= 167, 168,
igr2= 190, 199,
&end
#
# 13 LEU QB 15 GLN H 5.60 (#peak 1380)
&rst
ixpk= 1380, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 167, 168,
&end
#
# 13 LEU QB 16 LEU H 5.81 (#peak 993)
&rst
ixpk= 993, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 167, 168,
&end
#
# 13 LEU QB 16 LEU QB 3.84 (#peak 1293)
&rst
ixpk= 1293, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 167, 168,
igr2= 224, 225,
&end
#
# 13 LEU QB 118 VAL QQG 4.86 (#peak 1378)
&rst
ixpk= 1378, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 167, 168,
&end
#
# 13 LEU QQD 16 LEU HG 5.54 (#peak 1315)
&rst
ixpk= 1315, nxpk= 0, iat= 169, 227, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 13 LEU QQD 103 ASN H 7.40 (#peak 1340)
&rst
ixpk= 1340, nxpk= 0, iat= 169, 352, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90, &end
#
# 13 LEU QQD 104 GLN QB 7.84 (#peak 1264)
&rst
ixpk= 1264, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr2= 370, 371,
&end
#
# 14 TYR QB 15 GLN H 4.22 (#peak 134)
&rst
ixpk= 134, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 186, 187,
&end
#
# 14 TYR QB 15 GLN QG 4.66 (#peak 1246)
&rst
ixpk= 1246, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 186, 187,
igr2= 210, 211,
&end
#
# 14 TYR QD 15 GLN QG 7.77 (#peak 638)
&rst
ixpk= 638, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
igr1= 190, 199,
igr2= 210, 211,
&end
#
# 14 TYR QE 18 ASN QD2 7.77 (#peak 735)
&rst
ixpk= 735, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
igr1= 192, 197,
igr2= 263, 264,
&end
#
# 15 GLN H 15 GLN QB 2.65 (#peak 53)
&rst
ixpk= 53, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 207, 208,
&end
#
# 15 GLN H 15 GLN QG 3.18 (#peak 1234)
&rst
ixpk= 1234, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 210, 211,
&end
#
# 15 GLN HA 15 GLN QE2 5.81 (#peak 1123)
&rst
ixpk= 1123, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 215, 216,
&end
#
# 15 GLN HA 18 ASN QD2 5.82 (#peak 1122)
&rst
ixpk= 1122, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 263, 264,
&end
#
# 15 GLN QB 16 LEU QB 5.49 (#peak 1247)
&rst
ixpk= 1247, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 207, 208,
igr2= 224, 225,
&end
#
# 15 GLN QB 16 LEU HG 5.81 (#peak 1248)
&rst
ixpk= 1248, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 207, 208,
&end
#
# 15 GLN QB 16 LEU QQD 6.62 (#peak 1275)
&rst
ixpk= 1275, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1= 207, 208,
&end
#
# 15 GLN QG 15 GLN QE2 3.16 (#peak 723)
&rst
ixpk= 723, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 210, 211,
igr2= 215, 216,
&end
#
# 15 GLN QG 16 LEU H 5.17 (#peak 839)
&rst
ixpk= 839, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 210, 211,
&end
#
# 16 LEU H 16 LEU QB 2.74 (#peak 151)
&rst
ixpk= 151, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2= 224, 225,
&end
#
# 16 LEU H 16 LEU QQD 4.09 (#peak 379)
&rst
ixpk= 379, nxpk= 0, iat= 220, 226, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 16 LEU H 118 VAL QQG 7.00 (#peak 1422)
&rst
ixpk= 1422, nxpk= 0, iat= 220, 586, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 16 LEU HA 16 LEU QQD 4.11 (#peak 377)
&rst
ixpk= 377, nxpk= 0, iat= 222, 226, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 16 LEU HA 19 TYR QB 3.85 (#peak 708)
&rst
ixpk= 708, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 272, 273,
&end
#
# 16 LEU HA 115 LEU QQD 5.84 (#peak 677)
&rst
ixpk= 677, nxpk= 0, iat= 222, 530, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 16 LEU QB 17 GLU H 3.02 (#peak 984)
&rst
ixpk= 984, nxpk= 0, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr1= 224, 225,
&end
#
# 16 LEU QB 118 VAL QQG 3.97 (#peak 1286)
&rst
ixpk= 1286, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 224, 225,
&end
#
# 16 LEU QQD 17 GLU H 4.59 (#peak 989)
&rst
ixpk= 989, nxpk= 0, iat= 226, 239, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 16 LEU QQD 19 TYR QD 7.76 (#peak 620)
&rst
ixpk= 620, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 8.71, r4= 9.21,
igr2= 276, 285,
&end
#
# 16 LEU QQD 111 LEU HA 6.72 (#peak 1117)
&rst
ixpk= 1117, nxpk= 0, iat= 226, 466, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22, &end
#
# 17 GLU H 17 GLU QB 2.82 (#peak 395)
&rst
ixpk= 395, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr2= 243, 244,
&end
#
# 17 GLU H 17 GLU QG 3.57 (#peak 393)
&rst
ixpk= 393, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 246, 247,
&end
#
# 17 GLU H 18 ASN QB 5.10 (#peak 982)
&rst
ixpk= 982, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 258, 259,
&end
#
# 17 GLU HA 20 CYSS QB 3.74 (#peak 1100)
&rst
ixpk= 1100, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 293, 294,
&end
#
# 17 GLU HA 118 VAL QQG 5.74 (#peak 1101)
&rst
ixpk= 1101, nxpk= 0, iat= 241, 586, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 17 GLU QB 18 ASN H 3.81 (#peak 375)
&rst
ixpk= 375, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 243, 244,
&end
#
# 17 GLU QG 118 VAL QQG 5.11 (#peak 1250)
&rst
ixpk= 1250, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 246, 247,
&end
#
# 18 ASN H 18 ASN QB 2.50 (#peak 55)
&rst
ixpk= 55, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 258, 259,
&end
#
# 18 ASN H 18 ASN QD2 5.00 (#peak 751)
&rst
ixpk= 751, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 263, 264,
&end
#
# 18 ASN HA 18 ASN QB 2.60 (#peak 88)
&rst
ixpk= 88, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 258, 259,
&end
#
# 18 ASN QB 19 TYR H 3.29 (#peak 137)
&rst
ixpk= 137, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 258, 259,
&end
#
# 18 ASN QB 19 TYR QD 7.09 (#peak 853)
&rst
ixpk= 853, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.93, r4= 9.43,
igr1= 258, 259,
igr2= 276, 285,
&end
#
# 19 TYR H 19 TYR QB 3.08 (#peak 106)
&rst
ixpk= 106, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 272, 273,
&end
#
# 19 TYR H 20 CYSS QB 4.71 (#peak 1182)
&rst
ixpk= 1182, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 293, 294,
&end
#
# 19 TYR H 115 LEU QQD 7.57 (#peak 796)
&rst
ixpk= 796, nxpk= 0, iat= 268, 530, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 19 TYR QB 20 CYSS H 4.39 (#peak 436)
&rst
ixpk= 436, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 272, 273,
&end
#
# 19 TYR QB 115 LEU QQD 5.12 (#peak 1159)
&rst
ixpk= 1159, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 272, 273,
&end
#
# 19 TYR QB 118 VAL QQG 8.62 (#peak 1156)
&rst
ixpk= 1156, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1= 272, 273,
&end
#
# 19 TYR QB 125 PHE H 5.81 (#peak 1165)
&rst
ixpk= 1165, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 272, 273,
&end
#
# 19 TYR QD 115 LEU QQD 8.08 (#peak 621)
&rst
ixpk= 621, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 9.07, r4= 9.57,
igr1= 276, 285,
&end
#
# 20 CYSS H 20 CYSS QB 3.91 (#peak 56)
&rst
ixpk= 56, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 293, 294,
&end
#
# 20 CYSS HA 124 PHE QB 4.53 (#peak 706)
&rst
ixpk= 706, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 666, 667,
&end
#
# 20 CYSS QB 21 ASN H 3.09 (#peak 720)
&rst
ixpk= 720, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr1= 293, 294,
&end
#
# 20 CYSS QB 119 CYSS QB 5.97 (#peak 1224)
&rst
ixpk= 1224, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1= 293, 294,
igr2= 603, 604,
&end
#
# 20 CYSS QB 122 ARG QG 6.63 (#peak 1317)
&rst
ixpk= 1317, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,
igr1= 293, 294,
igr2= 638, 639,
&end
#
# 20 CYSS QB 122 ARG HE 5.81 (#peak 1223)
&rst
ixpk= 1223, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 293, 294,
&end
#
# 21 ASN H 21 ASN QB 4.24 (#peak 46)
&rst
ixpk= 46, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 303, 304,
&end
#
# 21 ASN H 21 ASN QD2 5.81 (#peak 1002)
&rst
ixpk= 1002, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 308, 309,
&end
#
# 21 ASN H 119 CYSS QB 5.44 (#peak 1213)
&rst
ixpk= 1213, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 603, 604,
&end
#
# 21 ASN H 122 ARG QB 4.12 (#peak 1280)
&rst
ixpk= 1280, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 635, 636,
&end
#
# 21 ASN QD2 124 PHE HA 5.67 (#peak 1033)
&rst
ixpk= 1033, nxpk= 0, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 308, 309,
&end
#
# 21 ASN QD2 125 PHE HA 5.81 (#peak 1039)
&rst
ixpk= 1039, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 308, 309,
&end
#
# 101 PHE QB 102 VAL H 3.63 (#peak 1356)
&rst
ixpk= 1356, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 320, 321,
&end
#
# 102 VAL HA 103 ASN QB 5.81 (#peak 1230)
&rst
ixpk= 1230, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 356, 357,
&end
#
# 102 VAL QQG 103 ASN QB 7.17 (#peak 1226)
&rst
ixpk= 1226, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr2= 356, 357,
&end
#
# 103 ASN H 103 ASN QD2 5.81 (#peak 739)
&rst
ixpk= 739, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 361, 362,
&end
#
# 103 ASN QB 104 GLN H 4.78 (#peak 424)
&rst
ixpk= 424, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 356, 357,
&end
#
# 103 ASN QB 105 HIS H 7.41 (#peak 940)
&rst
ixpk= 940, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 356, 357,
&end
#
# 103 ASN QD2 105 HIS H 7.81 (#peak 941)
&rst
ixpk= 941, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
igr1= 361, 362,
&end
#
# 104 GLN H 104 GLN QB 3.92 (#peak 57)
&rst
ixpk= 57, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 370, 371,
&end
#
# 104 GLN HA 106 LEU QQD 6.90 (#peak 1076)
&rst
ixpk= 1076, nxpk= 0, iat= 368, 406, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end
#
# 104 GLN QB 105 HIS H 3.99 (#peak 939)
&rst
ixpk= 939, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 370, 371,
&end
#
# 104 GLN QB 105 HIS HD2 5.81 (#peak 624)
&rst
ixpk= 624, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 370, 371,
&end
#
# 104 GLN QB 106 LEU QQD 5.31 (#peak 690)
&rst
ixpk= 690, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 370, 371,
&end
#
# 104 GLN QG 106 LEU QQD 7.73 (#peak 1253)
&rst
ixpk= 1253, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 8.68, r4= 9.18,
igr1= 373, 374,
&end
#
# 105 HIS H 105 HIS QB 3.11 (#peak 26)
&rst
ixpk= 26, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 387, 388,
&end
#
# 105 HIS HA 106 LEU QB 4.76 (#peak 1054)
&rst
ixpk= 1054, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 404, 405,
&end
#
# 105 HIS HA 106 LEU QQD 6.75 (#peak 1051)
&rst
ixpk= 1051, nxpk= 0, iat= 385, 406, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 105 HIS QB 106 LEU H 4.97 (#peak 156)
&rst
ixpk= 156, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 387, 388,
&end
#
# 106 LEU H 106 LEU QB 4.29 (#peak 160)
&rst
ixpk= 160, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 404, 405,
&end
#
# 106 LEU H 106 LEU QQD 6.04 (#peak 787)
&rst
ixpk= 787, nxpk= 0, iat= 400, 406, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 106 LEU HA 107 CYSS QB 5.18 (#peak 1066)
&rst
ixpk= 1066, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 423, 424,
&end
#
# 106 LEU QB 107 CYSS H 3.95 (#peak 432)
&rst
ixpk= 432, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 404, 405,
&end
#
# 106 LEU QB 110 HIS QB 5.61 (#peak 1168)
&rst
ixpk= 1168, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 404, 405,
igr2= 451, 452,
&end
#
# 106 LEU QB 111 LEU HA 3.90 (#peak 1112)
&rst
ixpk= 1112, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 404, 405,
&end
#
# 106 LEU QB 111 LEU QB 5.58 (#peak 1320)
&rst
ixpk= 1320, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr1= 404, 405,
igr2= 468, 469,
&end
#
# 106 LEU QQD 107 CYSS H 4.78 (#peak 784)
&rst
ixpk= 784, nxpk= 0, iat= 406, 419, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 106 LEU QQD 110 HIS HA 6.66 (#peak 1050)
&rst
ixpk= 1050, nxpk= 0, iat= 406, 449, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, &end
#
# 106 LEU QQD 110 HIS QB 5.35 (#peak 682)
&rst
ixpk= 682, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 451, 452,
&end
#
# 106 LEU QQD 110 HIS HE1 9.90 (#peak 809)
&rst
ixpk= 809, nxpk= 0, iat= 406, 457, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40, &end
#
# 106 LEU QQD 111 LEU HA 6.31 (#peak 1111)
&rst
ixpk= 1111, nxpk= 0, iat= 406, 466, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, &end
#
# 106 LEU QQD 114 ALA H 5.91 (#peak 626)
&rst
ixpk= 626, nxpk= 0, iat= 406, 514, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 106 LEU QQD 114 ALA HA 6.69 (#peak 1104)
&rst
ixpk= 1104, nxpk= 0, iat= 406, 516, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, &end
#
# 106 LEU QQD 114 ALA QB 6.43 (#peak 830)
&rst
ixpk= 830, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr2= 518, 519, 520,
&end
#
# 107 CYSS H 110 HIS QB 3.12 (#peak 642)
&rst
ixpk= 642, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 451, 452,
&end
#
# 107 CYSS HA 111 LEU QB 4.08 (#peak 1010)
&rst
ixpk= 1010, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 468, 469,
&end
#
# 107 CYSS HA 111 LEU QQD 5.54 (#peak 1007)
&rst
ixpk= 1007, nxpk= 0, iat= 421, 470, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 107 CYSS QB 108 GLY H 3.99 (#peak 885)
&rst
ixpk= 885, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 423, 424,
&end
#
# 107 CYSS QB 108 GLY QA 4.55 (#peak 1466)
&rst
ixpk= 1466, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 423, 424,
igr2= 431, 432,
&end
#
# 108 GLY H 108 GLY QA 2.57 (#peak 17)
&rst
ixpk= 17, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2= 431, 432,
&end
#
# 108 GLY H 111 LEU QB 4.12 (#peak 884)
&rst
ixpk= 884, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 468, 469,
&end
#
# 108 GLY H 111 LEU QQD 5.85 (#peak 635)
&rst
ixpk= 635, nxpk= 0, iat= 429, 470, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 109 SER H 112 VAL QQG 6.62 (#peak 887)
&rst
ixpk= 887, nxpk= 0, iat= 436, 486, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, &end
#
# 109 SER HA 112 VAL QQG 4.96 (#peak 678)
&rst
ixpk= 678, nxpk= 0, iat= 438, 486, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 109 SER QB 112 VAL QQG 7.73 (#peak 1140)
&rst
ixpk= 1140, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 8.68, r4= 9.18,
igr1= 440, 441,
&end
#
# 110 HIS H 110 HIS QB 2.60 (#peak 43)
&rst
ixpk= 43, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 451, 452,
&end
#
# 110 HIS H 111 LEU QB 5.36 (#peak 1405)
&rst
ixpk= 1405, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 468, 469,
&end
#
# 110 HIS HA 113 GLU QB 3.43 (#peak 520)
&rst
ixpk= 520, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 503, 504,
&end
#
# 110 HIS QB 111 LEU H 4.28 (#peak 170)
&rst
ixpk= 170, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 451, 452,
&end
#
# 110 HIS QB 114 ALA QB 6.75 (#peak 1170)
&rst
ixpk= 1170, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
igr1= 451, 452,
igr2= 518, 519, 520,
&end
#
# 110 HIS HD2 113 GLU QB 7.51 (#peak 1257)
&rst
ixpk= 1257, nxpk= 0, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2= 503, 504,
&end
#
# 111 LEU H 111 LEU QB 2.82 (#peak 177)
&rst
ixpk= 177, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr2= 468, 469,
&end
#
# 111 LEU H 111 LEU QQD 5.64 (#peak 774)
&rst
ixpk= 774, nxpk= 0, iat= 464, 470, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 111 LEU H 112 VAL QQG 6.45 (#peak 773)
&rst
ixpk= 773, nxpk= 0, iat= 464, 486, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, &end
#
# 111 LEU HA 111 LEU QQD 3.90 (#peak 1110)
&rst
ixpk= 1110, nxpk= 0, iat= 466, 470, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 111 LEU HA 112 VAL QQG 6.90 (#peak 1428)
&rst
ixpk= 1428, nxpk= 0, iat= 466, 486, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end
#
# 111 LEU QB 112 VAL H 4.17 (#peak 194)
&rst
ixpk= 194, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 468, 469,
&end
#
# 111 LEU QB 112 VAL HA 4.83 (#peak 1153)
&rst
ixpk= 1153, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 468, 469,
&end
#
# 111 LEU QB 112 VAL QQG 5.03 (#peak 1429)
&rst
ixpk= 1429, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 468, 469,
&end
#
# 111 LEU QB 114 ALA QB 5.75 (#peak 1299)
&rst
ixpk= 1299, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1= 468, 469,
igr2= 518, 519, 520,
&end
#
# 111 LEU HG 112 VAL QQG 5.48 (#peak 1394)
&rst
ixpk= 1394, nxpk= 0, iat= 471, 486, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 111 LEU HG 115 LEU QQD 4.87 (#peak 696)
&rst
ixpk= 696, nxpk= 0, iat= 471, 530, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 112 VAL H 112 VAL QQG 3.73 (#peak 187)
&rst
ixpk= 187, nxpk= 0, iat= 483, 486, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 112 VAL H 113 GLU QB 4.97 (#peak 1256)
&rst
ixpk= 1256, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 503, 504,
&end
#
# 112 VAL HA 115 LEU QB 3.71 (#peak 818)
&rst
ixpk= 818, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 528, 529,
&end
#
# 112 VAL HA 115 LEU QQD 5.45 (#peak 817)
&rst
ixpk= 817, nxpk= 0, iat= 485, 530, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 112 VAL QQG 113 GLU H 4.47 (#peak 191)
&rst
ixpk= 191, nxpk= 0, iat= 486, 499, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 112 VAL QQG 113 GLU QB 6.02 (#peak 1435)
&rst
ixpk= 1435, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2= 503, 504,
&end
#
# 112 VAL QQG 114 ALA H 6.72 (#peak 778)
&rst
ixpk= 778, nxpk= 0, iat= 486, 514, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22, &end
#
# 112 VAL QQG 115 LEU H 6.90 (#peak 974)
&rst
ixpk= 974, nxpk= 0, iat= 486, 524, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end
#
# 112 VAL QQG 116 TYR H 5.86 (#peak 791)
&rst
ixpk= 791, nxpk= 0, iat= 486, 543, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 112 VAL QQG 116 TYR QD 7.17 (#peak 761)
&rst
ixpk= 761, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr2= 551, 560,
&end
#
# 112 VAL QQG 116 TYR QE 7.17 (#peak 759)
&rst
ixpk= 759, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr2= 553, 558,
&end
#
# 112 VAL QQG 124 PHE QE 7.81 (#peak 608)
&rst
ixpk= 608, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
igr2= 672, 676,
&end
#
# 113 GLU H 113 GLU QB 3.98 (#peak 841)
&rst
ixpk= 841, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 503, 504,
&end
#
# 113 GLU H 113 GLU QG 4.81 (#peak 322)
&rst
ixpk= 322, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 506, 507,
&end
#
# 113 GLU QB 114 ALA HA 5.81 (#peak 1258)
&rst
ixpk= 1258, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 503, 504,
&end
#
# 113 GLU QB 114 ALA QB 6.22 (#peak 1255)
&rst
ixpk= 1255, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
igr1= 503, 504,
igr2= 518, 519, 520,
&end
#
# 113 GLU QG 114 ALA H 5.81 (#peak 1232)
&rst
ixpk= 1232, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 506, 507,
&end
#
# 114 ALA QB 115 LEU QQD 7.04 (#peak 1377)
&rst
ixpk= 1377, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95,
igr1= 518, 519, 520,
&end
#
# 114 ALA QB 117 LEU QB 5.92 (#peak 1381)
&rst
ixpk= 1381, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1= 518, 519, 520,
igr2= 568, 569,
&end
#
# 115 LEU H 115 LEU QB 2.56 (#peak 1372)
&rst
ixpk= 1372, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,
igr2= 528, 529,
&end
#
# 115 LEU H 115 LEU QQD 4.96 (#peak 969)
&rst
ixpk= 969, nxpk= 0, iat= 524, 530, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 115 LEU H 118 VAL QQG 6.90 (#peak 789)
&rst
ixpk= 789, nxpk= 0, iat= 524, 586, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end
#
# 115 LEU HA 115 LEU QQD 4.19 (#peak 531)
&rst
ixpk= 531, nxpk= 0, iat= 526, 530, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 115 LEU HA 118 VAL QQG 4.17 (#peak 680)
&rst
ixpk= 680, nxpk= 0, iat= 526, 586, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 115 LEU QB 116 TYR H 3.45 (#peak 1373)
&rst
ixpk= 1373, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 528, 529,
&end
#
# 115 LEU QB 116 TYR QB 6.62 (#peak 1337)
&rst
ixpk= 1337, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1= 528, 529,
igr2= 547, 548,
&end
#
# 115 LEU QB 126 TYR QB 5.61 (#peak 1412)
&rst
ixpk= 1412, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 528, 529,
igr2= 706, 707,
&end
#
# 115 LEU QQD 116 TYR H 6.15 (#peak 564)
&rst
ixpk= 564, nxpk= 0, iat= 530, 543, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 115 LEU QQD 116 TYR QE 8.91 (#peak 613)
&rst
ixpk= 613, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50,
igr2= 553, 558,
&end
#
# 115 LEU QQD 118 VAL HB 5.76 (#peak 689)
&rst
ixpk= 689, nxpk= 0, iat= 530, 587, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 115 LEU QQD 118 VAL QQG 7.68 (#peak 1426)
&rst
ixpk= 1426, nxpk= 0, iat= 530, 586, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18, &end
#
# 115 LEU QQD 124 PHE QD 8.91 (#peak 768)
&rst
ixpk= 768, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50,
igr2= 670, 678,
&end
#
# 115 LEU QQD 124 PHE QE 8.91 (#peak 603)
&rst
ixpk= 603, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50,
igr2= 672, 676,
&end
#
# 115 LEU QQD 126 TYR QB 6.62 (#peak 1206)
&rst
ixpk= 1206, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr2= 706, 707,
&end
#
# 116 TYR H 117 LEU QB 5.05 (#peak 1290)
&rst
ixpk= 1290, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 568, 569,
&end
#
# 116 TYR QB 117 LEU QB 6.62 (#peak 1287)
&rst
ixpk= 1287, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1= 547, 548,
igr2= 568, 569,
&end
#
# 116 TYR QB 117 LEU QQD 6.71 (#peak 1439)
&rst
ixpk= 1439, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 547, 548,
&end
#
# 117 LEU H 117 LEU QB 2.81 (#peak 47)
&rst
ixpk= 47, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2= 568, 569,
&end
#
# 117 LEU H 118 VAL QQG 5.79 (#peak 793)
&rst
ixpk= 793, nxpk= 0, iat= 564, 586, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 117 LEU HA 117 LEU QB 2.63 (#peak 331)
&rst
ixpk= 331, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
igr2= 568, 569,
&end
#
# 117 LEU HA 117 LEU QQD 4.08 (#peak 1192)
&rst
ixpk= 1192, nxpk= 0, iat= 566, 570, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 117 LEU HA 118 VAL QQG 5.98 (#peak 679)
&rst
ixpk= 679, nxpk= 0, iat= 566, 586, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 117 LEU QB 118 VAL HA 4.80 (#peak 1145)
&rst
ixpk= 1145, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 568, 569,
&end
#
# 117 LEU QB 119 CYSS H 5.50 (#peak 896)
&rst
ixpk= 896, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 568, 569,
&end
#
# 118 VAL H 118 VAL QQG 3.60 (#peak 924)
&rst
ixpk= 924, nxpk= 0, iat= 583, 586, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 118 VAL H 119 CYSS QB 5.44 (#peak 1363)
&rst
ixpk= 1363, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 603, 604,
&end
#
# 118 VAL HA 119 CYSS QB 6.87 (#peak 1146)
&rst
ixpk= 1146, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr2= 603, 604,
&end
#
# 118 VAL QQG 119 CYSS H 4.51 (#peak 222)
&rst
ixpk= 222, nxpk= 0, iat= 586, 599, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 118 VAL QQG 119 CYSS HA 5.81 (#peak 337)
&rst
ixpk= 337, nxpk= 0, iat= 586, 601, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 118 VAL QQG 119 CYSS QB 6.62 (#peak 1212)
&rst
ixpk= 1212, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr2= 603, 604,
&end
#
# 118 VAL QQG 120 GLY H 6.90 (#peak 1425)
&rst
ixpk= 1425, nxpk= 0, iat= 586, 609, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end
#
# 119 CYSS H 119 CYSS QB 3.65 (#peak 538)
&rst
ixpk= 538, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 603, 604,
&end
#
# 119 CYSS H 124 PHE QB 5.81 (#peak 905)
&rst
ixpk= 905, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 666, 667,
&end
#
# 119 CYSS HA 122 ARG QB 5.34 (#peak 525)
&rst
ixpk= 525, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 635, 636,
&end
#
# 119 CYSS QB 120 GLY H 4.66 (#peak 65)
&rst
ixpk= 65, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 603, 604,
&end
#
# 119 CYSS QB 122 ARG HE 5.81 (#peak 1210)
&rst
ixpk= 1210, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 603, 604,
&end
#
# 119 CYSS QB 123 GLY H 4.05 (#peak 1181)
&rst
ixpk= 1181, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 603, 604,
&end
#
# 119 CYSS QB 123 GLY QA 5.21 (#peak 710)
&rst
ixpk= 710, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 603, 604,
igr2= 657, 658,
&end
#
# 119 CYSS QB 124 PHE H 5.81 (#peak 1183)
&rst
ixpk= 1183, nxpk= 0, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 603, 604,
&end
#
# 119 CYSS QB 124 PHE QE 7.78 (#peak 1184)
&rst
ixpk= 1184, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 603, 604,
igr2= 672, 676,
&end
#
# 121 GLU H 121 GLU QB 3.43 (#peak 227)
&rst
ixpk= 227, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 620, 621,
&end
#
# 121 GLU H 121 GLU QG 4.36 (#peak 558)
&rst
ixpk= 558, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 623, 624,
&end
#
# 121 GLU H 122 ARG QB 4.94 (#peak 978)
&rst
ixpk= 978, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 635, 636,
&end
#
# 121 GLU QB 122 ARG H 4.34 (#peak 228)
&rst
ixpk= 228, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 620, 621,
&end
#
# 121 GLU QG 122 ARG H 5.44 (#peak 1233)
&rst
ixpk= 1233, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 623, 624,
&end
#
# 122 ARG H 122 ARG QB 2.98 (#peak 556)
&rst
ixpk= 556, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 635, 636,
&end
#
# 122 ARG QB 123 GLY H 4.34 (#peak 1294)
&rst
ixpk= 1294, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 635, 636,
&end
#
# 123 GLY QA 124 PHE H 3.04 (#peak 348)
&rst
ixpk= 348, nxpk= 0, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1= 657, 658,
&end
#
# 123 GLY QA 124 PHE QD 7.77 (#peak 599)
&rst
ixpk= 599, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
igr1= 657, 658,
igr2= 670, 678,
&end
#
# 124 PHE QB 125 PHE H 3.99 (#peak 1001)
&rst
ixpk= 1001, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 666, 667,
&end
#
# 124 PHE QE 126 TYR QB 7.78 (#peak 606)
&rst
ixpk= 606, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 672, 676,
igr2= 706, 707,
&end
#
# 125 PHE H 125 PHE QB 3.32 (#peak 44)
&rst
ixpk= 44, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 686, 687,
&end
#
# 125 PHE QB 126 TYR H 5.50 (#peak 716 )
&rst
ixpk= 716, nxpk= 0, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 686, 687,
&end
#
# 126 TYR H 126 TYR QB 3.91 (#peak 718)
&rst
ixpk= 718, nxpk= 0, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 706, 707,
&end
#
# 126 TYR QB 127 THR H 4.05 (#peak 1215)
&rst
ixpk= 1215, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 706, 707,
&end
#
# 128 PRO HA 129 LYS QB 5.81 (#peak 1309)
&rst
ixpk= 1309, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 755, 756,
&end
#
# 128 PRO QB 129 LYS H 3.69 (#peak 1348)
&rst
ixpk= 1348, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 744, 745,
&end
#
# 128 PRO QD 132 ARG QB 6.63 (#peak 813)
&rst
ixpk= 813, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,
igr1= 738, 739,
igr2= 813, 814,
&end
#
# 129 LYS H 129 LYS QB 4.14 (#peak 74)
&rst
ixpk= 74, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 755, 756,
&end
#
# 129 LYS QB 130 THR H 4.56 (#peak 1302)
&rst
ixpk= 1302, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 755, 756,
&end
#
# 129 LYS QB 131 LYS H 5.59 (#peak 1300)
&rst
ixpk= 1300, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 755, 756,
&end
#
# 131 LYS H 131 LYS QB 3.40 (#peak 238)
&rst
ixpk= 238, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 791, 792,
&end
#
# 6 CYSS SG 11 CYSS SG 2.10
&rst
ixpk= 238, nxpk= 0, iat= 84, 148, r1= 1.30, r2= 1.80, r3= 2.10, r4= 2.60, &end
#
# 6 CYSS SG 11 CYSS CB 3.10
&rst
ixpk= 238, nxpk= 0, iat= 84, 145, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 6 CYSS CB 11 CYSS SG 3.10
&rst
ixpk= 238, nxpk= 0, iat= 81, 148, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 7 CYSS SG 107 CYSS SG 2.10
&rst
ixpk= 238, nxpk= 0, iat= 94, 425, r1= 1.30, r2= 1.80, r3= 2.10, r4= 2.60, &end
#
# 7 CYSS SG 107 CYSS CB 3.10
&rst
ixpk= 238, nxpk= 0, iat= 94, 422, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 7 CYSS CB 107 CYSS SG 3.10
&rst
ixpk= 238, nxpk= 0, iat= 91, 425, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 20 CYSS SG 119 CYSS SG 2.10
&rst
ixpk= 238, nxpk= 0, iat= 295, 605, r1= 1.30, r2= 1.80, r3= 2.10, r4= 2.60, &end
#
# 20 CYSS SG 119 CYSS CB 3.10
&rst
ixpk= 238, nxpk= 0, iat= 295, 602, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 20 CYSS CB 119 CYSS SG 3.10
&rst
ixpk= 238, nxpk= 0, iat= 292, 605, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
# 832 atoms read from pdb file StrIns_Amber.pdb.
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