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 |
|
|
475095 |
2kwq   |
16872 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 48 PHE H 48 PHE QD 3.93 (#peak 2 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr2= 763, 771,
&end
#
# 47 ARG HA 48 PHE H 3.45 (#peak 4 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 4, nxpk= 0, iat= 733, 755, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 48 PHE H 48 PHE QB 3.72 (#peak 5 #SUP 1.00;)
&rst
ixpk= 5, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 759, 760,
&end
#
# 47 ARG HB3 48 PHE H 4.11 (#peak 7 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 7, nxpk= 0, iat= 736, 755, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 23 TYR H 24 THR H 4.92 (#peak 9 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 9, nxpk= 0, iat= 339, 360, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 22 LYS H 23 TYR H 3.44 (#peak 10 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 10, nxpk= 0, iat= 317, 339, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 18 CYZN H 23 TYR H 4.10 (#peak 11 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 11, nxpk= 0, iat= 261, 339, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 17 THR HA 23 TYR H 5.00 (#peak 14 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 14, nxpk= 0, iat= 249, 339, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 LYS HA 23 TYR H 3.30 (#peak 17 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 17, nxpk= 0, iat= 319, 339, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 18 CYZN HB2 23 TYR H 5.69 (#peak 20 #SUP 1.00;)
&rst
ixpk= 20, nxpk= 0, iat= 266, 339, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 18 CYZN HB3 23 TYR H 4.31 (#peak 21 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 21, nxpk= 0, iat= 265, 339, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 17 THR QG2 23 TYR H 4.19 (#peak 24 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 24, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 253, 254, 255,
&end
#
# 16 VAL H 25 HIS H 4.08 (#peak 26 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 26, nxpk= 0, iat= 231, 374, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 18 CYZN H 25 HIS H 5.96 (#peak 27 #SUP 1.00;)
&rst
ixpk= 27, nxpk= 0, iat= 261, 374, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 24 THR HA 25 HIS H 3.36 (#peak 30 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 30, nxpk= 0, iat= 362, 374, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 15 VAL HA 25 HIS H 6.00 (#peak 32 #SUP 1.00;)
&rst
ixpk= 32, nxpk= 0, iat= 217, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 VAL HA 25 HIS H 6.16 (#peak 33 #SUP 0.95 #QF 0.85;)
&rst
ixpk= 33, nxpk= 0, iat= 233, 374, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 25 HIS H 26 PHE HA 6.16 (#peak 33 #SUP 0.95 #QF 0.85;)
&rst
ixpk= 33, nxpk= 0, iat= 374, 393, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 25 HIS H 25 HIS HB3 4.46 (#peak 34 #SUP 0.72 #QF 0.72;)
&rst
ixpk= 34, nxpk= 0, iat= 374, 379, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 25 HIS H 25 HIS HB2 4.18 (#peak 35 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 35, nxpk= 0, iat= 374, 378, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 15 VAL HB 25 HIS H 4.64 (#peak 36 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 36, nxpk= 0, iat= 219, 374, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 24 THR QG2 25 HIS H 3.65 (#peak 37 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 37, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 366, 367, 368,
&end
#
# 16 VAL QG1 25 HIS H 3.99 (#peak 40 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 40, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 237, 238, 239,
&end
#
# 29 LYS HA 30 GLU H 3.14 (#peak 45 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 45, nxpk= 0, iat= 449, 469, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 30 GLU H 30 GLU QG 3.60 (#peak 47 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 47, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 476, 477,
&end
#
# 29 LYS QD 30 GLU H 5.85 (#peak 49 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 49, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 457, 458,
&end
#
# 29 LYS HG3 30 GLU H 4.80 (#peak 50 #SUP 1.00;)
&rst
ixpk= 50, nxpk= 0, iat= 455, 469, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 30 GLU H 31 THR H 4.00 (#peak 53 #SUP 1.00;)
&rst
ixpk= 53, nxpk= 0, iat= 469, 484, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 THR H 33 VAL H 5.21 (#peak 55 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 55, nxpk= 0, iat= 484, 508, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 31 THR H 32 CYZN HA 6.16 (#peak 59 #SUP 0.99 #QF 0.67;)
&rst
ixpk= 59, nxpk= 0, iat= 484, 500, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 29 LYS HB2 31 THR H 4.09 (#peak 60 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 60, nxpk= 0, iat= 451, 484, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 29 LYS HB3 31 THR H 4.09 (#peak 61 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 61, nxpk= 0, iat= 452, 484, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 29 LYS QD 31 THR H 5.57 (#peak 62 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 62, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 457, 458,
&end
#
# 30 GLU H 32 CYZN H 5.05 (#peak 66 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 66, nxpk= 0, iat= 469, 498, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 32 CYZN H 34 SER H 4.45 (#peak 67 #SUP 1.00;)
&rst
ixpk= 67, nxpk= 0, iat= 498, 524, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 31 THR H 32 CYZN H 3.82 (#peak 68 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 68, nxpk= 0, iat= 484, 498, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 32 CYZN H 33 VAL H 3.39 (#peak 70 #SUP 1.00;)
&rst
ixpk= 70, nxpk= 0, iat= 498, 508, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 28 PRO HA 32 CYZN H 6.16 (#peak 72 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 72, nxpk= 0, iat= 443, 498, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 30 GLU HA 32 CYZN H 4.41 (#peak 73 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 73, nxpk= 0, iat= 471, 498, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 32 CYZN H 32 CYZN HB3 4.20 (#peak 75 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 75, nxpk= 0, iat= 498, 502, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 29 LYS HB2 32 CYZN H 4.36 (#peak 77 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 77, nxpk= 0, iat= 451, 498, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 29 LYS QD 32 CYZN H 6.16 (#peak 79 #SUP 0.93 #QF 0.25;)
&rst
ixpk= 79, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 457, 458,
&end
#
# 32 CYZN H 35 GLU HB2 6.16 (#peak 79 #SUP 0.93 #QF 0.25;)
&rst
ixpk= 79, nxpk= 0, iat= 498, 539, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 31 THR QG2 32 CYZN H 5.08 (#peak 80 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 80, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 490, 491, 492,
&end
#
# 33 VAL H 35 GLU H 4.87 (#peak 84 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 84, nxpk= 0, iat= 508, 535, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 32 CYZN HB3 33 VAL H 4.00 (#peak 88 #SUP 1.00;)
&rst
ixpk= 88, nxpk= 0, iat= 502, 508, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 29 LYS HB2 33 VAL H 6.16 (#peak 90 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 90, nxpk= 0, iat= 451, 508, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 33 VAL H 33 VAL HB 3.40 (#peak 91 #SUP 1.00;)
&rst
ixpk= 91, nxpk= 0, iat= 508, 512, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 29 LYS HB3 33 VAL H 6.16 (#peak 92 #SUP 0.99 #QF 0.93;)
&rst
ixpk= 92, nxpk= 0, iat= 452, 508, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 30 GLU QB 33 VAL H 6.16 (#peak 92 #SUP 0.99 #QF 0.93;)
&rst
ixpk= 92, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 473, 474,
&end
#
# 28 PRO HB2 33 VAL H 5.07 (#peak 93 #SUP 1.00;)
&rst
ixpk= 93, nxpk= 0, iat= 440, 508, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 28 PRO HB3 33 VAL H 5.70 (#peak 94 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 94, nxpk= 0, iat= 441, 508, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 33 VAL H 34 SER H 3.39 (#peak 98 #SUP 1.00;)
&rst
ixpk= 98, nxpk= 0, iat= 508, 524, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 34 SER H 34 SER HB3 3.34 (#peak 101 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 101, nxpk= 0, iat= 524, 529, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 32 CYZN HB3 34 SER H 6.14 (#peak 102 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 102, nxpk= 0, iat= 502, 524, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 34 SER H 35 GLU HB2 5.51 (#peak 105 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 105, nxpk= 0, iat= 524, 539, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 31 THR QG2 34 SER H 5.91 (#peak 106 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 106, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 490, 491, 492,
&end
#
# 33 VAL QG2 34 SER H 4.41 (#peak 107 #SUP 1.00;)
&rst
ixpk= 107, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 518, 519, 520,
&end
#
# 34 SER H 35 GLU H 3.58 (#peak 109 #SUP 1.00;)
&rst
ixpk= 109, nxpk= 0, iat= 524, 535, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 35 GLU H 36 ASN HA 5.41 (#peak 113 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 113, nxpk= 0, iat= 535, 552, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 34 SER HB3 35 GLU H 4.04 (#peak 116 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 116, nxpk= 0, iat= 529, 535, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 32 CYZN HB2 35 GLU H 6.16 (#peak 117 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 117, nxpk= 0, iat= 503, 535, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 35 GLU H 35 GLU HB2 3.63 (#peak 121 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 121, nxpk= 0, iat= 535, 539, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 33 VAL H 36 ASN H 6.16 (#peak 125 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 125, nxpk= 0, iat= 508, 550, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 36 ASN H 39 PHE HZ 6.16 (#peak 125 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 125, nxpk= 0, iat= 550, 606, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 36 ASN H 37 HIZ+ HD2 5.24 (#peak 126 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 126, nxpk= 0, iat= 550, 575, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 36 ASN H 36 ASN HA 2.93 (#peak 127 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 127, nxpk= 0, iat= 550, 552, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 36 ASN H 36 ASN HB2 3.86 (#peak 132 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 132, nxpk= 0, iat= 550, 554, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 32 CYZN HA 36 ASN H 5.80 (#peak 133 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 133, nxpk= 0, iat= 500, 550, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 35 GLU HB2 36 ASN H 4.68 (#peak 135 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 135, nxpk= 0, iat= 539, 550, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 33 VAL QG1 36 ASN H 6.16 (#peak 137 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 137, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 514, 515, 516,
&end
#
# 36 ASN H 37 HIZ+ H 3.47 (#peak 139 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 139, nxpk= 0, iat= 550, 564, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 37 HIZ+ H 39 PHE HZ 5.07 (#peak 141 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 141, nxpk= 0, iat= 564, 606, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 36 ASN HA 37 HIZ+ H 3.51 (#peak 142 #SUP 0.98 #QF 0.86;)
&rst
ixpk= 142, nxpk= 0, iat= 552, 564, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 33 VAL HA 37 HIZ+ H 4.79 (#peak 143 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 143, nxpk= 0, iat= 510, 564, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 37 HIZ+ H 37 HIZ+ HB3 4.05 (#peak 144 #SUP 1.00;)
&rst
ixpk= 144, nxpk= 0, iat= 564, 569, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 37 HIZ+ H 37 HIZ+ HB2 3.45 (#peak 145 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 145, nxpk= 0, iat= 564, 568, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 35 GLU HB3 37 HIZ+ H 4.92 (#peak 146 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 146, nxpk= 0, iat= 540, 564, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 20 THR H 38 ASP H 4.68 (#peak 149 #SUP 1.00;)
&rst
ixpk= 149, nxpk= 0, iat= 293, 582, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 38 ASP H 39 PHE QD 4.70 (#peak 151 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 151, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 602, 610,
&end
#
# 37 HIZ+ HA 38 ASP H 3.40 (#peak 152 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 152, nxpk= 0, iat= 566, 582, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 20 THR HA 38 ASP H 6.16 (#peak 153 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 153, nxpk= 0, iat= 295, 582, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 37 HIZ+ HB3 38 ASP H 3.65 (#peak 154 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 154, nxpk= 0, iat= 569, 582, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 38 ASP H 38 ASP HB2 3.66 (#peak 155 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 155, nxpk= 0, iat= 582, 586, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 38 ASP H 38 ASP HB3 4.18 (#peak 156 #SUP 1.00;)
&rst
ixpk= 156, nxpk= 0, iat= 582, 587, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 19 LYS HB2 38 ASP H 5.45 (#peak 157 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 157, nxpk= 0, iat= 275, 582, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 20 THR QG2 38 ASP H 5.05 (#peak 158 #SUP 1.00;)
&rst
ixpk= 158, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 299, 300, 301,
&end
#
# 19 LYS H 39 PHE H 5.30 (#peak 159 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 159, nxpk= 0, iat= 271, 594, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 39 PHE H 39 PHE HB3 4.26 (#peak 165 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 165, nxpk= 0, iat= 594, 599, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 38 ASP HB3 39 PHE H 4.54 (#peak 166 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 166, nxpk= 0, iat= 587, 594, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 40 HIS HA 41 TRP H 3.19 (#peak 172 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 172, nxpk= 0, iat= 616, 631, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 16 VAL HA 41 TRP H 5.47 (#peak 173 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 173, nxpk= 0, iat= 233, 631, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 41 TRP H 41 TRP QB 3.38 (#peak 174 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 174, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 635, 636,
&end
#
# 15 VAL H 42 HIS H 4.11 (#peak 176 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 176, nxpk= 0, iat= 215, 655, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 17 THR H 42 HIS H 5.35 (#peak 177 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 177, nxpk= 0, iat= 247, 655, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 41 TRP HZ3 42 HIS H 6.16 (#peak 179 #SUP 0.64 #QF 0.64;)
&rst
ixpk= 179, nxpk= 0, iat= 648, 655, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 41 TRP HA 42 HIS H 3.18 (#peak 181 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 181, nxpk= 0, iat= 633, 655, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 15 VAL HA 42 HIS H 5.63 (#peak 183 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 183, nxpk= 0, iat= 217, 655, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 16 VAL HA 42 HIS H 4.05 (#peak 184 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 184, nxpk= 0, iat= 233, 655, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 41 TRP QB 42 HIS H 3.85 (#peak 186 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 186, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 635, 636,
&end
#
# 14 ARG QG 42 HIS H 4.91 (#peak 187 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 187, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 198, 199,
&end
#
# 15 VAL QG2 42 HIS H 4.14 (#peak 188 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 188, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 225, 226, 227,
&end
#
# 16 VAL QG2 42 HIS H 5.44 (#peak 189 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 189, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 241, 242, 243,
&end
#
# 42 HIS QB 43 ASN H 4.74 (#peak 192 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 192, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 659, 660,
&end
#
# 43 ASN H 43 ASN HB3 4.60 (#peak 193 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 193, nxpk= 0, iat= 672, 677, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 13 CYS H 44 GLY H 4.18 (#peak 195 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 195, nxpk= 0, iat= 180, 686, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 43 ASN HA 44 GLY H 3.18 (#peak 196 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 196, nxpk= 0, iat= 674, 686, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 14 ARG HA 44 GLY H 4.01 (#peak 197 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 197, nxpk= 0, iat= 193, 686, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 15 VAL HA 44 GLY H 6.16 (#peak 198 #SUP 0.52 #QF 0.52;)
&rst
ixpk= 198, nxpk= 0, iat= 217, 686, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 43 ASN HB3 44 GLY H 3.89 (#peak 202 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 202, nxpk= 0, iat= 677, 686, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 14 ARG QG 44 GLY H 6.16 (#peak 203 #SUP 1.00;)
&rst
ixpk= 203, nxpk= 0, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 198, 199,
&end
#
# 15 VAL QG1 44 GLY H 4.40 (#peak 205 #SUP 1.00;)
&rst
ixpk= 205, nxpk= 0, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 221, 222, 223,
&end
#
# 15 VAL QG2 44 GLY H 4.20 (#peak 206 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 206, nxpk= 0, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 225, 226, 227,
&end
#
# 46 LYS H 47 ARG H 5.58 (#peak 208 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 208, nxpk= 0, iat= 709, 731, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 46 LYS H 48 PHE HZ 6.16 (#peak 209 #SUP 0.63 #QF 0.63;)
&rst
ixpk= 209, nxpk= 0, iat= 709, 767, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 12 SER HA 46 LYS H 5.24 (#peak 210 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 210, nxpk= 0, iat= 171, 709, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 45 VAL HA 46 LYS H 3.17 (#peak 211 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 211, nxpk= 0, iat= 695, 709, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 11 GLN QG 46 LYS H 5.52 (#peak 213 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 213, nxpk= 0, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 159, 160,
&end
#
# 10 GLU QG 46 LYS H 6.16 (#peak 214 #SUP 0.98 #QF 0.96;)
&rst
ixpk= 214, nxpk= 0, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 144, 145,
&end
#
# 11 GLN QB 46 LYS H 6.16 (#peak 214 #SUP 0.98 #QF 0.96;)
&rst
ixpk= 214, nxpk= 0, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 156, 157,
&end
#
# 46 LYS H 46 LYS QD 3.92 (#peak 216 #SUP 0.63 #QF 0.63;)
&rst
ixpk= 216, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 719, 720,
&end
#
# 46 LYS H 46 LYS HG2 4.45 (#peak 217 #SUP 1.00;)
&rst
ixpk= 217, nxpk= 0, iat= 709, 716, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 46 LYS H 46 LYS HG3 4.72 (#peak 218 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 218, nxpk= 0, iat= 709, 717, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 50 LYS H 76 TRP HA 4.70 (#peak 228 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 228, nxpk= 0, iat= 795,1205, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 49 PHE HB3 50 LYS H 4.02 (#peak 230 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 230, nxpk= 0, iat= 780, 795, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 50 LYS H 76 TRP HB2 6.16 (#peak 231 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 231, nxpk= 0, iat= 795,1207, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 50 LYS H 50 LYS QB 3.70 (#peak 232 #SUP 1.00;)
&rst
ixpk= 232, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 799, 800,
&end
#
# 50 LYS H 50 LYS HG2 4.91 (#peak 234 #SUP 1.00;)
&rst
ixpk= 234, nxpk= 0, iat= 795, 802, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 51 CYZN H 54 GLY H 5.05 (#peak 238 #SUP 1.00;)
&rst
ixpk= 238, nxpk= 0, iat= 817, 852, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 51 CYZN H 76 TRP HE3 4.74 (#peak 240 #SUP 0.92 #QF 0.88;)
&rst
ixpk= 240, nxpk= 0, iat= 817,1222, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 50 LYS HA 51 CYZN H 3.44 (#peak 242 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 242, nxpk= 0, iat= 797, 817, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 51 CYZN H 51 CYZN HB3 3.88 (#peak 244 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 244, nxpk= 0, iat= 817, 822, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 51 CYZN H 51 CYZN HB2 3.98 (#peak 245 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 245, nxpk= 0, iat= 817, 821, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 50 LYS HG3 51 CYZN H 4.39 (#peak 247 #SUP 1.00;)
&rst
ixpk= 247, nxpk= 0, iat= 803, 817, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 50 LYS HG2 51 CYZN H 4.65 (#peak 248 #SUP 1.00;)
&rst
ixpk= 248, nxpk= 0, iat= 802, 817, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 50 LYS QE 54 GLY H 4.73 (#peak 256 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 256, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 808, 809,
&end
#
# 51 CYZN HB3 54 GLY H 4.75 (#peak 257 #SUP 0.96 #QF 0.94;)
&rst
ixpk= 257, nxpk= 0, iat= 822, 852, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 50 LYS HG2 54 GLY H 6.16 (#peak 261 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 261, nxpk= 0, iat= 802, 852, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 54 GLY H 55 ASN H 3.38 (#peak 263 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 263, nxpk= 0, iat= 852, 859, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 50 LYS HA 55 ASN H 6.14 (#peak 266 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 266, nxpk= 0, iat= 797, 859, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 55 ASN H 70 THR HB 5.59 (#peak 269 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 269, nxpk= 0, iat= 859,1115, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 53 CYZN HB2 55 ASN H 6.07 (#peak 271 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 271, nxpk= 0, iat= 847, 859, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 55 ASN H 55 ASN HB3 3.46 (#peak 272 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 272, nxpk= 0, iat= 859, 864, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 55 ASN H 55 ASN HB2 3.42 (#peak 273 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 273, nxpk= 0, iat= 859, 863, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 51 CYZN HB2 55 ASN H 4.58 (#peak 274 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 274, nxpk= 0, iat= 821, 859, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 55 ASN H 56 ARG HG2 5.50 (#peak 275 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 275, nxpk= 0, iat= 859, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ASN H 70 THR QG2 5.15 (#peak 276 #SUP 1.00;)
&rst
ixpk= 276, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1117,1118,1119,
&end
#
# 51 CYZN H 57 THR H 5.44 (#peak 277 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 277, nxpk= 0, iat= 817, 897, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 57 THR H 76 TRP HZ3 4.67 (#peak 280 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 280, nxpk= 0, iat= 897,1220, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 56 ARG HA 57 THR H 3.24 (#peak 281 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 281, nxpk= 0, iat= 875, 897, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 48 PHE HA 57 THR H 5.60 (#peak 282 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 282, nxpk= 0, iat= 757, 897, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 57 THR H 57 THR HB 4.37 (#peak 283 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 283, nxpk= 0, iat= 897, 901, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 56 ARG QD 57 THR H 4.88 (#peak 284 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 284, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 883, 884,
&end
#
# 49 PHE HB3 57 THR H 5.78 (#peak 285 #SUP 1.00;)
&rst
ixpk= 285, nxpk= 0, iat= 780, 897, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 48 PHE QB 57 THR H 5.77 (#peak 286 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 286, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 759, 760,
&end
#
# 56 ARG HB3 57 THR H 3.77 (#peak 287 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 287, nxpk= 0, iat= 878, 897, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 57 THR H 58 ILE QD1 6.15 (#peak 289 #SUP 0.72 #QF 0.72;)
&rst
ixpk= 289, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 924, 925, 926,
&end
#
# 57 THR H 57 THR QG2 3.67 (#peak 290 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 290, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 903, 904, 905,
&end
#
# 49 PHE H 59 SER H 6.13 (#peak 292 #SUP 0.98 #QF 0.91;)
&rst
ixpk= 292, nxpk= 0, iat= 775, 930, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 59 SER H 60 LEU H 6.16 (#peak 292 #SUP 0.98 #QF 0.91;)
&rst
ixpk= 292, nxpk= 0, iat= 930, 941, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 47 ARG H 59 SER H 4.12 (#peak 293 #SUP 1.00;)
&rst
ixpk= 293, nxpk= 0, iat= 731, 930, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 49 PHE QE 59 SER H 4.36 (#peak 295 #SUP 1.00;)
&rst
ixpk= 295, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 785, 789,
&end
#
# 58 ILE HA 59 SER H 3.34 (#peak 297 #SUP 1.00;)
&rst
ixpk= 297, nxpk= 0, iat= 913, 930, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 48 PHE HA 59 SER H 4.67 (#peak 298 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 298, nxpk= 0, iat= 757, 930, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 59 SER H 59 SER HB2 4.28 (#peak 300 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 300, nxpk= 0, iat= 930, 934, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 47 ARG HB2 59 SER H 5.12 (#peak 301 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 301, nxpk= 0, iat= 735, 930, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 58 ILE HB 59 SER H 4.49 (#peak 302 #SUP 1.00;)
&rst
ixpk= 302, nxpk= 0, iat= 915, 930, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 47 ARG QG 59 SER H 5.06 (#peak 303 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 303, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 738, 739,
&end
#
# 59 SER H 64 PRO HD3 5.53 (#peak 304 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 304, nxpk= 0, iat= 930,1017, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 58 ILE HG13 59 SER H 5.88 (#peak 305 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 305, nxpk= 0, iat= 922, 930, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 58 ILE QG2 59 SER H 3.85 (#peak 306 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 306, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 917, 918, 919,
&end
#
# 57 THR QG2 59 SER H 5.45 (#peak 307 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 307, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 903, 904, 905,
&end
#
# 59 SER HA 60 LEU H 3.30 (#peak 312 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 312, nxpk= 0, iat= 932, 941, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 59 SER HB2 60 LEU H 5.05 (#peak 313 #SUP 1.00;)
&rst
ixpk= 313, nxpk= 0, iat= 934, 941, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 58 ILE QG2 60 LEU H 5.24 (#peak 319 #SUP 0.48 #QF 0.48;)
&rst
ixpk= 319, nxpk= 0, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 917, 918, 919,
&end
#
# 60 LEU H 60 LEU QD1 4.41 (#peak 320 #SUP 1.00;)
&rst
ixpk= 320, nxpk= 0, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 950, 951, 952,
&end
#
# 61 ASP HA 63 LEU H 4.67 (#peak 324 #SUP 1.00;)
&rst
ixpk= 324, nxpk= 0, iat= 962, 996, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 61 ASP HB2 63 LEU H 4.31 (#peak 328 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 328, nxpk= 0, iat= 964, 996, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 63 LEU H 64 PRO HD2 5.54 (#peak 330 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 330, nxpk= 0, iat= 996,1016, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 62 ARG HG3 63 LEU H 4.10 (#peak 332 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 332, nxpk= 0, iat= 980, 996, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 63 LEU H 63 LEU QB 3.45 (#peak 333 #SUP 1.00;)
&rst
ixpk= 333, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1000,1001,
&end
#
# 63 LEU H 63 LEU QD2 6.04 (#peak 334 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 334, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2=1009,1010,1011,
&end
#
# 68 CYZN H 76 TRP HE1 4.95 (#peak 335 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 335, nxpk= 0, iat=1090,1213, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 68 CYZN H 69 SER H 5.32 (#peak 336 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 336, nxpk= 0, iat=1090,1100, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 68 CYZN H 73 LEU H 4.28 (#peak 338 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 338, nxpk= 0, iat=1090,1142, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 67 HIS HA 68 CYZN H 3.58 (#peak 341 #SUP 0.96 #QF 0.81;)
&rst
ixpk= 341, nxpk= 0, iat=1075,1090, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 68 CYZN H 72 GLY HA2 4.77 (#peak 342 #SUP 0.98 #QF 0.90;)
&rst
ixpk= 342, nxpk= 0, iat=1090,1137, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 68 CYZN H 72 GLY HA3 6.16 (#peak 343 #SUP 1.00;)
&rst
ixpk= 343, nxpk= 0, iat=1090,1138, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 68 CYZN H 68 CYZN HB3 3.35 (#peak 344 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 344, nxpk= 0, iat=1090,1094, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 68 CYZN H 68 CYZN HB2 3.68 (#peak 345 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 345, nxpk= 0, iat=1090,1095, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 68 CYZN H 73 LEU HG 5.68 (#peak 346 #SUP 0.44 #QF 0.44;)
&rst
ixpk= 346, nxpk= 0, iat=1090,1149, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 66 LYS QD 68 CYZN H 6.16 (#peak 347 #SUP 0.98 #QF 0.76;)
&rst
ixpk= 347, nxpk= 0, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=1061,1062,
&end
#
# 69 SER H 76 TRP HZ2 4.65 (#peak 351 #SUP 1.00;)
&rst
ixpk= 351, nxpk= 0, iat=1100,1216, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 68 CYZN HA 69 SER H 3.45 (#peak 353 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 353, nxpk= 0, iat=1092,1100, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 69 SER H 69 SER HB3 4.14 (#peak 355 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 355, nxpk= 0, iat=1100,1105, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 68 CYZN HB3 69 SER H 5.02 (#peak 356 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 356, nxpk= 0, iat=1094,1100, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 68 CYZN HB2 69 SER H 5.10 (#peak 357 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 357, nxpk= 0, iat=1095,1100, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 70 THR H 71 CYZN H 3.26 (#peak 359 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 359, nxpk= 0, iat=1111,1125, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 70 THR H 76 TRP HZ2 6.16 (#peak 361 #SUP 1.00;)
&rst
ixpk= 361, nxpk= 0, iat=1111,1216, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 55 ASN HD22 70 THR H 4.96 (#peak 362 #SUP 1.00;)
&rst
ixpk= 362, nxpk= 0, iat= 869,1111, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 70 THR H 71 CYZN HA 5.52 (#peak 363 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 363, nxpk= 0, iat=1111,1127, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 68 CYZN HA 70 THR H 5.00 (#peak 364 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 364, nxpk= 0, iat=1092,1111, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 70 THR H 70 THR HB 3.18 (#peak 365 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 365, nxpk= 0, iat=1111,1115, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 70 THR H 71 CYZN HB3 6.00 (#peak 367 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 367, nxpk= 0, iat=1111,1129, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 68 CYZN HB2 70 THR H 5.32 (#peak 368 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 368, nxpk= 0, iat=1095,1111, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 70 THR H 72 GLY H 4.33 (#peak 370 #SUP 1.00;)
&rst
ixpk= 370, nxpk= 0, iat=1111,1135, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 68 CYZN H 72 GLY H 4.98 (#peak 371 #SUP 1.00;)
&rst
ixpk= 371, nxpk= 0, iat=1090,1135, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 71 CYZN H 72 GLY H 3.25 (#peak 372 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 372, nxpk= 0, iat=1125,1135, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 68 CYZN HA 72 GLY H 5.56 (#peak 375 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 375, nxpk= 0, iat=1092,1135, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 68 CYZN HB3 72 GLY H 4.04 (#peak 379 #SUP 1.00;)
&rst
ixpk= 379, nxpk= 0, iat=1094,1135, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 71 CYZN HB3 72 GLY H 5.00 (#peak 380 #SUP 1.00;)
&rst
ixpk= 380, nxpk= 0, iat=1129,1135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 68 CYZN HB2 72 GLY H 4.66 (#peak 381 #SUP 1.00;)
&rst
ixpk= 381, nxpk= 0, iat=1095,1135, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 72 GLY H 73 LEU HG 5.30 (#peak 382 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 382, nxpk= 0, iat=1135,1149, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 70 THR QG2 72 GLY H 6.14 (#peak 383 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 383, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1=1117,1118,1119,
&end
#
# 72 GLY H 73 LEU QD1 6.14 (#peak 384 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 384, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr2=1151,1152,1153,
&end
#
# 72 GLY H 73 LEU H 3.89 (#peak 387 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 387, nxpk= 0, iat=1135,1142, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 68 CYZN HB2 73 LEU H 4.36 (#peak 390 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 390, nxpk= 0, iat=1095,1142, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 73 LEU H 73 LEU HG 3.39 (#peak 391 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 391, nxpk= 0, iat=1142,1149, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 75 LYS H 76 TRP HE1 5.70 (#peak 392 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 392, nxpk= 0, iat=1181,1213, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 74 PHE QD 75 LYS H 5.06 (#peak 394 #SUP 1.00;)
&rst
ixpk= 394, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1169,1177,
&end
#
# 74 PHE HA 75 LYS H 3.36 (#peak 399 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 399, nxpk= 0, iat=1163,1181, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 74 PHE HB2 75 LYS H 5.21 (#peak 400 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 400, nxpk= 0, iat=1165,1181, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 75 LYS H 76 TRP HB2 5.60 (#peak 401 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 401, nxpk= 0, iat=1181,1207, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 75 LYS H 75 LYS HB2 4.19 (#peak 402 #SUP 1.00;)
&rst
ixpk= 402, nxpk= 0, iat=1181,1185, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 74 PHE HB3 75 LYS H 5.21 (#peak 403 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 403, nxpk= 0, iat=1166,1181, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 75 LYS H 75 LYS HG2 4.70 (#peak 404 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 404, nxpk= 0, iat=1181,1188, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 75 LYS H 75 LYS HB3 4.49 (#peak 405 #SUP 1.00;)
&rst
ixpk= 405, nxpk= 0, iat=1181,1186, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 76 TRP H 76 TRP HE1 5.42 (#peak 407 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 407, nxpk= 0, iat=1203,1213, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 76 TRP H 77 GLU H 5.45 (#peak 408 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 408, nxpk= 0, iat=1203,1227, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 75 LYS H 76 TRP H 3.46 (#peak 409 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 409, nxpk= 0, iat=1181,1203, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 76 TRP H 76 TRP HE3 5.48 (#peak 410 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 410, nxpk= 0, iat=1203,1222, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 75 LYS HA 76 TRP H 3.49 (#peak 413 #SUP 0.96 #QF 0.81;)
&rst
ixpk= 413, nxpk= 0, iat=1183,1203, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 74 PHE HA 76 TRP H 4.38 (#peak 414 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 414, nxpk= 0, iat=1163,1203, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 76 TRP H 76 TRP HB3 4.13 (#peak 415 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 415, nxpk= 0, iat=1203,1208, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 76 TRP H 76 TRP HB2 3.56 (#peak 416 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 416, nxpk= 0, iat=1203,1207, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 64 PRO HD2 76 TRP H 6.06 (#peak 417 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 417, nxpk= 0, iat=1016,1203, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 75 LYS QD 76 TRP H 5.73 (#peak 419 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 419, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1191,1192,
&end
#
# 75 LYS HG2 76 TRP H 5.62 (#peak 420 #SUP 1.00;)
&rst
ixpk= 420, nxpk= 0, iat=1188,1203, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 63 LEU QD2 76 TRP H 5.42 (#peak 422 #SUP 0.96 #QF 0.67;)
&rst
ixpk= 422, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1009,1010,1011,
&end
#
# 50 LYS H 77 GLU H 3.96 (#peak 423 #SUP 1.00;)
&rst
ixpk= 423, nxpk= 0, iat= 795,1227, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 77 GLU H 79 VAL H 6.16 (#peak 425 #SUP 0.72 #QF 0.72;)
&rst
ixpk= 425, nxpk= 0, iat=1227,1266, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 49 PHE QD 77 GLU H 4.42 (#peak 427 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 427, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 783, 791,
&end
#
# 49 PHE HA 77 GLU H 4.95 (#peak 428 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 428, nxpk= 0, iat= 777,1227, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 76 TRP HA 77 GLU H 3.20 (#peak 430 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 430, nxpk= 0, iat=1205,1227, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 52 PRO HD3 77 GLU H 6.16 (#peak 431 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 431, nxpk= 0, iat= 830,1227, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 76 TRP HB3 77 GLU H 4.23 (#peak 432 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 432, nxpk= 0, iat=1208,1227, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 76 TRP HB2 77 GLU H 4.72 (#peak 433 #SUP 1.00;)
&rst
ixpk= 433, nxpk= 0, iat=1207,1227, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 77 GLU H 77 GLU HG2 5.24 (#peak 434 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 434, nxpk= 0, iat=1227,1234, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 77 GLU H 77 GLU HG3 5.24 (#peak 435 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 435, nxpk= 0, iat=1227,1235, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 77 GLU H 77 GLU HB3 3.82 (#peak 436 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 436, nxpk= 0, iat=1227,1232, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 50 LYS QB 77 GLU H 4.95 (#peak 437 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 437, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 799, 800,
&end
#
# 50 LYS HG3 77 GLU H 6.16 (#peak 438 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 438, nxpk= 0, iat= 803,1227, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 50 LYS HG2 77 GLU H 5.88 (#peak 439 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 439, nxpk= 0, iat= 802,1227, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 77 GLU H 79 VAL QG2 5.96 (#peak 440 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 440, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2=1276,1277,1278,
&end
#
# 50 LYS H 78 ARG H 5.80 (#peak 441 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 441, nxpk= 0, iat= 795,1242, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 78 ARG H 79 VAL H 5.20 (#peak 443 #SUP 1.00;)
&rst
ixpk= 443, nxpk= 0, iat=1242,1266, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 49 PHE HA 78 ARG H 5.48 (#peak 446 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 446, nxpk= 0, iat= 777,1242, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 77 GLU HA 78 ARG H 3.10 (#peak 447 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 447, nxpk= 0, iat=1229,1242, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 77 GLU HG2 78 ARG H 4.72 (#peak 450 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 450, nxpk= 0, iat=1234,1242, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 77 GLU HG3 78 ARG H 4.72 (#peak 451 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 451, nxpk= 0, iat=1235,1242, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 77 GLU HB3 78 ARG H 4.76 (#peak 452 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 452, nxpk= 0, iat=1232,1242, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 78 ARG H 78 ARG HB2 3.45 (#peak 453 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 453, nxpk= 0, iat=1242,1246, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 78 ARG H 79 VAL QG1 6.00 (#peak 455 #SUP 0.61 #QF 0.61;)
&rst
ixpk= 455, nxpk= 0, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1272,1273,1274,
&end
#
# 85 LYS H 86 THR H 5.75 (#peak 456 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 456, nxpk= 0, iat=1362,1384, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 85 LYS HA 86 THR H 3.44 (#peak 458 #SUP 0.90 #QF 0.52;)
&rst
ixpk= 458, nxpk= 0, iat=1364,1384, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 86 THR HA 87 GLY H 3.53 (#peak 463 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 463, nxpk= 0, iat=1386,1398, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 86 THR QG2 87 GLY H 5.19 (#peak 465 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 465, nxpk= 0, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1390,1391,1392,
&end
#
# 40 HIS H 41 TRP H 4.74 (#peak 469 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 469, nxpk= 0, iat= 614, 631, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 17 THR H 40 HIS H 4.02 (#peak 471 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 471, nxpk= 0, iat= 247, 614, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 39 PHE H 40 HIS H 5.13 (#peak 472 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 472, nxpk= 0, iat= 594, 614, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 40 HIS H 41 TRP HD1 6.16 (#peak 473 #SUP 0.68 #QF 0.68;)
&rst
ixpk= 473, nxpk= 0, iat= 614, 639, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 39 PHE HA 40 HIS H 3.30 (#peak 475 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 475, nxpk= 0, iat= 596, 614, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 18 CYZN HA 40 HIS H 4.40 (#peak 477 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 477, nxpk= 0, iat= 263, 614, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 16 VAL HA 40 HIS H 4.91 (#peak 478 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 478, nxpk= 0, iat= 233, 614, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 17 THR HB 40 HIS H 4.79 (#peak 479 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 479, nxpk= 0, iat= 251, 614, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 40 HIS H 40 HIS HB2 4.22 (#peak 480 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 480, nxpk= 0, iat= 614, 618, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 40 HIS H 40 HIS HB3 4.28 (#peak 481 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 481, nxpk= 0, iat= 614, 619, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 39 PHE HB3 40 HIS H 3.89 (#peak 482 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 482, nxpk= 0, iat= 599, 614, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 17 THR QG2 40 HIS H 5.08 (#peak 483 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 483, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 253, 254, 255,
&end
#
# 11 GLN H 48 PHE QE 5.12 (#peak 488 #SUP 0.94 #QF 0.62;)
&rst
ixpk= 488, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 765, 769,
&end
#
# 11 GLN H 48 PHE HZ 5.38 (#peak 488 #SUP 0.94 #QF 0.62;)
&rst
ixpk= 488, nxpk= 0, iat= 152, 767, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 45 VAL H 60 LEU HA 6.14 (#peak 489 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 489, nxpk= 0, iat= 693, 943, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 10 GLU HA 11 GLN H 3.21 (#peak 490 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 490, nxpk= 0, iat= 139, 152, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 44 GLY HA3 45 VAL H 3.45 (#peak 492 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 492, nxpk= 0, iat= 689, 693, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 11 GLN H 11 GLN QG 4.31 (#peak 493 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 493, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 159, 160,
&end
#
# 10 GLU QG 11 GLN H 4.36 (#peak 494 #SUP 1.00 #QF 0.32;)
&rst
ixpk= 494, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 144, 145,
&end
#
# 10 GLU HB2 11 GLN H 3.70 (#peak 495 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 495, nxpk= 0, iat= 141, 152, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 45 VAL H 45 VAL HB 4.02 (#peak 496 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 496, nxpk= 0, iat= 693, 697, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 11 GLN H 46 LYS QD 4.74 (#peak 497 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 497, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 719, 720,
&end
#
# 47 ARG H 60 LEU HA 4.66 (#peak 505 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 505, nxpk= 0, iat= 731, 943, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 47 ARG H 47 ARG HD2 5.43 (#peak 507 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 507, nxpk= 0, iat= 731, 741, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 47 ARG H 47 ARG HD3 5.43 (#peak 508 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 508, nxpk= 0, iat= 731, 742, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 83 LYS H 83 LYS QB 3.52 (#peak 509 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 509, nxpk= 0, iat=1325, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1329,1330,
&end
#
# 82 LEU QB 83 LYS H 3.85 (#peak 510 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 510, nxpk= 0, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1310,1311,
&end
#
# 46 LYS HG3 47 ARG H 5.14 (#peak 511 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 511, nxpk= 0, iat= 717, 731, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 82 LEU QQD 83 LYS H 4.35 (#peak 512 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 512, nxpk= 0, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1315,1316,1317,1319,1320,1321,
&end
#
# 47 ARG H 58 ILE QG2 4.48 (#peak 513 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 513, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 917, 918, 919,
&end
#
# 49 PHE H 50 LYS H 5.10 (#peak 515 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 515, nxpk= 0, iat= 775, 795, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 48 PHE H 49 PHE H 5.12 (#peak 517 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 517, nxpk= 0, iat= 755, 775, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 48 PHE QD 49 PHE H 5.31 (#peak 518 #SUP 0.97 #QF 0.86;)
&rst
ixpk= 518, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 763, 771,
&end
#
# 49 PHE H 58 ILE HA 4.40 (#peak 522 #SUP 1.00;)
&rst
ixpk= 522, nxpk= 0, iat= 775, 913, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 48 PHE QB 49 PHE H 3.94 (#peak 524 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 524, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 759, 760,
&end
#
# 49 PHE H 49 PHE HB2 4.08 (#peak 525 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 525, nxpk= 0, iat= 775, 779, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 47 ARG HB2 49 PHE H 6.16 (#peak 526 #SUP 1.00 #QF 0.57;)
&rst
ixpk= 526, nxpk= 0, iat= 735, 775, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 49 PHE H 50 LYS QB 6.16 (#peak 526 #SUP 1.00 #QF 0.57;)
&rst
ixpk= 526, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2= 799, 800,
&end
#
# 49 PHE H 79 VAL QG2 4.56 (#peak 528 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 528, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1276,1277,1278,
&end
#
# 49 PHE H 57 THR QG2 4.51 (#peak 529 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 529, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 903, 904, 905,
&end
#
# 53 CYZN H 55 ASN H 4.66 (#peak 531 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 531, nxpk= 0, iat= 842, 859, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 53 CYZN H 53 CYZN HB2 4.11 (#peak 535 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 535, nxpk= 0, iat= 842, 847, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 52 PRO HG2 53 CYZN H 4.58 (#peak 537 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 537, nxpk= 0, iat= 832, 842, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 52 PRO HB3 53 CYZN H 5.10 (#peak 538 #SUP 1.00;)
&rst
ixpk= 538, nxpk= 0, iat= 836, 842, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 51 CYZN H 56 ARG H 5.62 (#peak 540 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 540, nxpk= 0, iat= 817, 873, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 55 ASN H 56 ARG H 5.21 (#peak 541 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 541, nxpk= 0, iat= 859, 873, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 56 ARG H 57 THR H 5.19 (#peak 542 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 542, nxpk= 0, iat= 873, 897, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 55 ASN HD21 56 ARG H 5.38 (#peak 543 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 543, nxpk= 0, iat= 868, 873, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 55 ASN HD22 56 ARG H 5.54 (#peak 545 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 545, nxpk= 0, iat= 869, 873, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 29 LYS H 32 CYZN H 5.39 (#peak 546 #SUP 0.99 #QF 0.93;)
&rst
ixpk= 546, nxpk= 0, iat= 447, 498, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 56 ARG H 76 TRP HZ3 5.66 (#peak 546 #SUP 0.99 #QF 0.93;)
&rst
ixpk= 546, nxpk= 0, iat= 873,1220, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 23 TYR QE 29 LYS H 4.70 (#peak 547 #SUP 0.57 #QF 0.57;)
&rst
ixpk= 547, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 349, 354,
&end
#
# 55 ASN HA 56 ARG H 2.99 (#peak 549 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 549, nxpk= 0, iat= 861, 873, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 28 PRO HA 29 LYS H 3.34 (#peak 550 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 550, nxpk= 0, iat= 443, 447, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 56 ARG H 56 ARG QD 4.73 (#peak 553 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 553, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 883, 884,
&end
#
# 55 ASN HB3 56 ARG H 4.23 (#peak 554 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 554, nxpk= 0, iat= 864, 873, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 55 ASN HB2 56 ARG H 4.39 (#peak 555 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 555, nxpk= 0, iat= 863, 873, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 29 LYS H 29 LYS HE2 6.16 (#peak 556 #SUP 0.96 #QF 0.42;)
&rst
ixpk= 556, nxpk= 0, iat= 447, 460, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 29 LYS H 29 LYS HE3 6.16 (#peak 556 #SUP 0.96 #QF 0.42;)
&rst
ixpk= 556, nxpk= 0, iat= 447, 461, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 29 LYS H 29 LYS HB2 4.10 (#peak 557 #SUP 1.00;)
&rst
ixpk= 557, nxpk= 0, iat= 447, 451, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 58 ILE H 59 SER H 5.10 (#peak 561 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 561, nxpk= 0, iat= 911, 930, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 57 THR H 58 ILE H 5.10 (#peak 562 #SUP 1.00;)
&rst
ixpk= 562, nxpk= 0, iat= 897, 911, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 49 PHE QE 58 ILE H 6.16 (#peak 564 #SUP 0.73 #QF 0.73;)
&rst
ixpk= 564, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 785, 789,
&end
#
# 57 THR HA 58 ILE H 3.27 (#peak 566 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 566, nxpk= 0, iat= 899, 911, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 57 THR HB 58 ILE H 4.44 (#peak 567 #SUP 1.00;)
&rst
ixpk= 567, nxpk= 0, iat= 901, 911, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 58 ILE H 58 ILE HB 3.79 (#peak 568 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 568, nxpk= 0, iat= 911, 915, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 58 ILE H 58 ILE QG2 4.54 (#peak 570 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 570, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 917, 918, 919,
&end
#
# 57 THR QG2 58 ILE H 4.05 (#peak 571 #SUP 1.00;)
&rst
ixpk= 571, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 903, 904, 905,
&end
#
# 60 LEU H 61 ASP H 3.65 (#peak 572 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 572, nxpk= 0, iat= 941, 960, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 49 PHE QE 61 ASP H 5.42 (#peak 574 #SUP 1.00 #QF 0.41;)
&rst
ixpk= 574, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 785, 789,
&end
#
# 61 ASP H 63 LEU H 5.66 (#peak 574 #SUP 1.00 #QF 0.41;)
&rst
ixpk= 574, nxpk= 0, iat= 960, 996, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 61 ASP H 64 PRO HA 5.66 (#peak 575 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 575, nxpk= 0, iat= 960,1025, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 59 SER HB3 61 ASP H 4.29 (#peak 576 #SUP 0.76 #QF 0.76;)
&rst
ixpk= 576, nxpk= 0, iat= 935, 960, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 61 ASP H 61 ASP HB2 4.03 (#peak 577 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 577, nxpk= 0, iat= 960, 964, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 61 ASP H 61 ASP HB3 4.03 (#peak 578 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 578, nxpk= 0, iat= 960, 965, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 47 ARG QG 61 ASP H 4.86 (#peak 579 #SUP 0.91 #QF 0.43;)
&rst
ixpk= 579, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 738, 739,
&end
#
# 60 LEU HB3 61 ASP H 5.17 (#peak 579 #SUP 0.91 #QF 0.43;)
&rst
ixpk= 579, nxpk= 0, iat= 946, 960, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 60 LEU QD2 61 ASP H 5.81 (#peak 582 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 582, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 954, 955, 956,
&end
#
# 24 THR H 25 HIS H 5.17 (#peak 583 #SUP 1.00;)
&rst
ixpk= 583, nxpk= 0, iat= 360, 374, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 62 ARG H 63 LEU H 3.72 (#peak 585 #SUP 1.00;)
&rst
ixpk= 585, nxpk= 0, iat= 972, 996, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 23 TYR QD 24 THR H 4.12 (#peak 587 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 587, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 347, 356,
&end
#
# 23 TYR HA 24 THR H 3.20 (#peak 589 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 589, nxpk= 0, iat= 341, 360, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 61 ASP HA 62 ARG H 3.33 (#peak 590 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 590, nxpk= 0, iat= 962, 972, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 24 THR H 24 THR HB 3.72 (#peak 592 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 592, nxpk= 0, iat= 360, 364, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 62 ARG H 62 ARG QD 4.75 (#peak 593 #SUP 1.00;)
&rst
ixpk= 593, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 982, 983,
&end
#
# 62 ARG H 62 ARG QB 3.49 (#peak 596 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 596, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 976, 977,
&end
#
# 62 ARG H 62 ARG HG3 4.26 (#peak 597 #SUP 1.00;)
&rst
ixpk= 597, nxpk= 0, iat= 972, 980, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 62 ARG H 63 LEU QB 5.30 (#peak 598 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 598, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=1000,1001,
&end
#
# 5 MET HA 6 GLN H 3.61 (#peak 601 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 601, nxpk= 0, iat= 51, 66, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 4 GLY QA 6 GLN H 6.16 (#peak 602 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 602, nxpk= 0, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 44, 45,
&end
#
# 6 GLN H 6 GLN QG 4.65 (#peak 603 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 603, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 73, 74,
&end
#
# 6 GLN H 6 GLN HB3 4.55 (#peak 604 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 604, nxpk= 0, iat= 66, 71, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 70 THR HB 71 CYZN H 3.63 (#peak 608 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 608, nxpk= 0, iat=1115,1125, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 71 CYZN H 72 GLY HA3 5.07 (#peak 609 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 609, nxpk= 0, iat=1125,1138, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 68 CYZN HB3 71 CYZN H 4.54 (#peak 612 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 612, nxpk= 0, iat=1094,1125, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 71 CYZN H 71 CYZN HB3 4.00 (#peak 613 #SUP 1.00;)
&rst
ixpk= 613, nxpk= 0, iat=1125,1129, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 68 CYZN HB2 71 CYZN H 5.04 (#peak 614 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 614, nxpk= 0, iat=1095,1125, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 74 PHE H 74 PHE QD 5.24 (#peak 616 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 616, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1169,1177,
&end
#
# 73 LEU HA 74 PHE H 3.27 (#peak 617 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 617, nxpk= 0, iat=1144,1161, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 74 PHE H 74 PHE HB2 4.05 (#peak 618 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 618, nxpk= 0, iat=1161,1165, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 74 PHE H 74 PHE HB3 4.05 (#peak 619 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 619, nxpk= 0, iat=1161,1166, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 74 PHE H 75 LYS HG2 4.39 (#peak 620 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 620, nxpk= 0, iat=1161,1188, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 48 PHE QD 79 VAL H 6.16 (#peak 624 #SUP 0.76 #QF 0.62;)
&rst
ixpk= 624, nxpk= 0, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 763, 771,
&end
#
# 49 PHE QE 79 VAL H 6.16 (#peak 624 #SUP 0.76 #QF 0.62;)
&rst
ixpk= 624, nxpk= 0, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 785, 789,
&end
#
# 49 PHE HA 79 VAL H 4.08 (#peak 626 #SUP 1.00;)
&rst
ixpk= 626, nxpk= 0, iat= 777,1266, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 7 SER HA 8 ILE H 3.14 (#peak 627 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 627, nxpk= 0, iat= 85, 94, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 78 ARG HA 79 VAL H 3.27 (#peak 628 #SUP 1.00 #QF 0.78;)
&rst
ixpk= 628, nxpk= 0, iat=1244,1266, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 49 PHE HB3 79 VAL H 5.72 (#peak 630 #SUP 0.97 #QF 0.33;)
&rst
ixpk= 630, nxpk= 0, iat= 780,1266, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 48 PHE QB 79 VAL H 4.79 (#peak 631 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 631, nxpk= 0, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 759, 760,
&end
#
# 79 VAL H 79 VAL HB 4.33 (#peak 632 #SUP 1.00;)
&rst
ixpk= 632, nxpk= 0, iat=1266,1270, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 8 ILE H 8 ILE HB 3.48 (#peak 633 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 633, nxpk= 0, iat= 94, 98, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 78 ARG QG 79 VAL H 3.96 (#peak 634 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 634, nxpk= 0, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1249,1250,
&end
#
# 8 ILE H 8 ILE HG13 4.69 (#peak 636 #SUP 1.00;)
&rst
ixpk= 636, nxpk= 0, iat= 94, 105, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 80 GLY H 81 MET H 5.13 (#peak 639 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 639, nxpk= 0, iat=1282,1289, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 48 PHE QB 80 GLY H 6.14 (#peak 643 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 643, nxpk= 0, iat= -1,1282, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 759, 760,
&end
#
# 79 VAL HB 80 GLY H 3.66 (#peak 644 #SUP 1.00;)
&rst
ixpk= 644, nxpk= 0, iat=1270,1282, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 9 ARG HB3 80 GLY H 6.16 (#peak 645 #SUP 0.63 #QF 0.34;)
&rst
ixpk= 645, nxpk= 0, iat= 118,1282, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 50 LYS QB 80 GLY H 6.16 (#peak 645 #SUP 0.63 #QF 0.34;)
&rst
ixpk= 645, nxpk= 0, iat= -1,1282, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 799, 800,
&end
#
# 9 ARG HG3 80 GLY H 6.10 (#peak 646 #SUP 0.91 #QF 0.88;)
&rst
ixpk= 646, nxpk= 0, iat= 121,1282, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 78 ARG QG 80 GLY H 6.16 (#peak 646 #SUP 0.91 #QF 0.88;)
&rst
ixpk= 646, nxpk= 0, iat= -1,1282, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=1249,1250,
&end
#
# 79 VAL QG1 80 GLY H 4.21 (#peak 647 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 647, nxpk= 0, iat= -1,1282, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1272,1273,1274,
&end
#
# 19 LYS H 20 THR H 3.45 (#peak 649 #SUP 1.00;)
&rst
ixpk= 649, nxpk= 0, iat= 271, 293, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 20 THR H 21 CYZN H 3.48 (#peak 650 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 650, nxpk= 0, iat= 293, 307, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 48 PHE QD 81 MET H 5.39 (#peak 652 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 652, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 763, 771,
&end
#
# 48 PHE QE 81 MET H 6.16 (#peak 652 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 652, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 765, 769,
&end
#
# 20 THR H 39 PHE QD 5.47 (#peak 653 #SUP 0.56 #QF 0.56;)
&rst
ixpk= 653, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 602, 610,
&end
#
# 20 THR H 39 PHE HA 5.30 (#peak 654 #SUP 1.00;)
&rst
ixpk= 654, nxpk= 0, iat= 293, 596, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 80 GLY HA2 81 MET H 3.75 (#peak 657 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 657, nxpk= 0, iat=1284,1289, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 80 GLY HA3 81 MET H 3.75 (#peak 659 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 659, nxpk= 0, iat=1285,1289, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 20 THR H 20 THR HB 3.48 (#peak 660 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 660, nxpk= 0, iat= 293, 297, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 20 THR H 21 CYZN HB2 5.62 (#peak 661 #SUP 1.00 #QF 0.98;)
&rst
ixpk= 661, nxpk= 0, iat= 293, 312, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 81 MET H 81 MET QG 4.55 (#peak 662 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 662, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1296,1297,
&end
#
# 9 ARG HB2 81 MET H 3.93 (#peak 663 #SUP 0.98 #QF 0.48;)
&rst
ixpk= 663, nxpk= 0, iat= 117,1289, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 9 ARG HB3 81 MET H 4.28 (#peak 664 #SUP 0.98 #QF 0.83;)
&rst
ixpk= 664, nxpk= 0, iat= 118,1289, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 20 THR H 22 LYS QG 5.53 (#peak 666 #SUP 0.63 #QF 0.63;)
&rst
ixpk= 666, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 324, 325,
&end
#
# 81 MET H 82 LEU QQD 5.12 (#peak 667 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 667, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 48 PHE QE 82 LEU H 6.16 (#peak 670 #SUP 0.98 #QF 0.82;)
&rst
ixpk= 670, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 765, 769,
&end
#
# 81 MET HA 82 LEU H 3.12 (#peak 672 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 672, nxpk= 0, iat=1291,1306, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 81 MET HB2 82 LEU H 4.60 (#peak 674 #SUP 1.00;)
&rst
ixpk= 674, nxpk= 0, iat=1293,1306, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 82 LEU H 82 LEU QB 3.81 (#peak 675 #SUP 1.00;)
&rst
ixpk= 675, nxpk= 0, iat=1306, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1310,1311,
&end
#
# 82 LEU H 82 LEU QQD 4.44 (#peak 676 #SUP 1.00;)
&rst
ixpk= 676, nxpk= 0, iat=1306, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 83 LYS HA 84 GLU H 3.11 (#peak 680 #SUP 0.59 #QF 0.35;)
&rst
ixpk= 680, nxpk= 0, iat=1327,1347, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 84 GLU H 84 GLU QG 4.54 (#peak 681 #SUP 0.86 #QF 0.78;)
&rst
ixpk= 681, nxpk= 0, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1354,1355,
&end
#
# 84 GLU H 84 GLU HB3 4.26 (#peak 682 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 682, nxpk= 0, iat=1347,1352, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 85 LYS H 85 LYS HD2 4.51 (#peak 683 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 683, nxpk= 0, iat=1362,1372, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 85 LYS H 85 LYS QG 4.37 (#peak 684 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 684, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1369,1370,
&end
#
# 82 LEU QQD 84 GLU H 6.16 (#peak 685 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 685, nxpk= 0, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1=1315,1316,1317,1319,1320,1321,
&end
#
# 90 LEU H 90 LEU HG 5.04 (#peak 688 #SUP 0.86 #QF 0.78;)
&rst
ixpk= 688, nxpk= 0, iat=1441,1448, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 25 HIS H 27 LYS H 5.81 (#peak 689 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 689, nxpk= 0, iat= 374, 411, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 27 LYS H 28 PRO HD2 5.52 (#peak 694 #SUP 1.00;)
&rst
ixpk= 694, nxpk= 0, iat= 411, 434, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 25 HIS HB3 27 LYS H 3.47 (#peak 695 #SUP 0.72 #QF 0.72;)
&rst
ixpk= 695, nxpk= 0, iat= 379, 411, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 16 VAL QG1 27 LYS H 4.26 (#peak 699 #SUP 1.00;)
&rst
ixpk= 699, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 237, 238, 239,
&end
#
# 21 CYZN H 22 LYS H 3.52 (#peak 700 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 700, nxpk= 0, iat= 307, 317, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 22 LYS H 23 TYR QD 5.17 (#peak 703 #SUP 1.00;)
&rst
ixpk= 703, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 347, 356,
&end
#
# 22 LYS H 23 TYR HA 6.16 (#peak 705 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 705, nxpk= 0, iat= 317, 341, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 19 LYS HA 22 LYS H 4.33 (#peak 706 #SUP 0.99 #QF 0.48;)
&rst
ixpk= 706, nxpk= 0, iat= 273, 317, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 22 LYS H 22 LYS HA 3.09 (#peak 707 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 707, nxpk= 0, iat= 317, 319, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 20 THR HB 22 LYS H 5.70 (#peak 708 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 708, nxpk= 0, iat= 297, 317, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 21 CYZN HB3 22 LYS H 4.75 (#peak 709 #SUP 1.00;)
&rst
ixpk= 709, nxpk= 0, iat= 311, 317, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 21 CYZN HB2 22 LYS H 4.33 (#peak 710 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 710, nxpk= 0, iat= 312, 317, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 22 LYS H 22 LYS HB2 4.60 (#peak 711 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 711, nxpk= 0, iat= 317, 321, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 18 CYZN HB3 22 LYS H 5.10 (#peak 712 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 712, nxpk= 0, iat= 265, 317, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 22 LYS H 22 LYS HB3 4.60 (#peak 713 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 713, nxpk= 0, iat= 317, 322, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 22 LYS H 22 LYS QG 3.76 (#peak 714 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 714, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 324, 325,
&end
#
# 20 THR QG2 22 LYS H 5.96 (#peak 716 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 716, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 299, 300, 301,
&end
#
# 19 LYS H 21 CYZN H 5.12 (#peak 717 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 717, nxpk= 0, iat= 271, 307, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 21 CYZN H 23 TYR QD 4.54 (#peak 721 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 721, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 347, 356,
&end
#
# 21 CYZN H 21 CYZN HB2 3.76 (#peak 727 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 727, nxpk= 0, iat= 307, 312, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 18 CYZN HB2 21 CYZN H 4.85 (#peak 728 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 728, nxpk= 0, iat= 266, 307, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 18 CYZN HB3 21 CYZN H 4.52 (#peak 729 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 729, nxpk= 0, iat= 265, 307, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 21 CYZN H 22 LYS QG 5.11 (#peak 730 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 730, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 324, 325,
&end
#
# 18 CYZN HA 20 THR H 4.45 (#peak 733 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 733, nxpk= 0, iat= 263, 293, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 19 LYS H 38 ASP H 5.12 (#peak 741 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 741, nxpk= 0, iat= 271, 582, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 19 LYS H 39 PHE HA 4.04 (#peak 743 #SUP 1.00;)
&rst
ixpk= 743, nxpk= 0, iat= 271, 596, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 18 CYZN HA 19 LYS H 3.48 (#peak 744 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 744, nxpk= 0, iat= 263, 271, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 19 LYS H 22 LYS HA 6.16 (#peak 746 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 746, nxpk= 0, iat= 271, 319, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 19 LYS H 39 PHE HB3 4.50 (#peak 748 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 748, nxpk= 0, iat= 271, 599, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 LYS H 38 ASP HB3 5.45 (#peak 749 #SUP 1.00;)
&rst
ixpk= 749, nxpk= 0, iat= 271, 587, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 19 LYS H 19 LYS HB2 3.55 (#peak 750 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 750, nxpk= 0, iat= 271, 275, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 19 LYS H 19 LYS HG2 3.89 (#peak 751 #SUP 1.00;)
&rst
ixpk= 751, nxpk= 0, iat= 271, 278, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 18 CYZN H 19 LYS H 5.23 (#peak 753 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 753, nxpk= 0, iat= 261, 271, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 18 CYZN H 23 TYR QE 5.34 (#peak 758 #SUP 0.99 #QF 0.97;)
&rst
ixpk= 758, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 349, 354,
&end
#
# 17 THR HA 18 CYZN H 3.36 (#peak 760 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 760, nxpk= 0, iat= 249, 261, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 17 THR HB 18 CYZN H 5.23 (#peak 762 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 762, nxpk= 0, iat= 251, 261, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 18 CYZN H 39 PHE HB3 4.92 (#peak 764 #SUP 1.00 #QF 0.92;)
&rst
ixpk= 764, nxpk= 0, iat= 261, 599, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 18 CYZN H 18 CYZN HB2 4.11 (#peak 765 #SUP 1.00;)
&rst
ixpk= 765, nxpk= 0, iat= 261, 266, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 18 CYZN H 18 CYZN HB3 4.00 (#peak 766 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 766, nxpk= 0, iat= 261, 265, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 THR QG2 18 CYZN H 3.72 (#peak 767 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 767, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 253, 254, 255,
&end
#
# 16 VAL QG1 18 CYZN H 5.45 (#peak 768 #SUP 1.00;)
&rst
ixpk= 768, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 237, 238, 239,
&end
#
# 16 VAL QG2 18 CYZN H 5.35 (#peak 769 #SUP 1.00;)
&rst
ixpk= 769, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 241, 242, 243,
&end
#
# 17 THR H 18 CYZN H 5.32 (#peak 772 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 772, nxpk= 0, iat= 247, 261, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 17 THR H 39 PHE HA 5.19 (#peak 774 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 774, nxpk= 0, iat= 247, 596, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 16 VAL HA 17 THR H 3.29 (#peak 775 #SUP 1.00;)
&rst
ixpk= 775, nxpk= 0, iat= 233, 247, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 17 THR H 17 THR HB 3.92 (#peak 776 #SUP 1.00;)
&rst
ixpk= 776, nxpk= 0, iat= 247, 251, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 17 THR H 40 HIS HB2 4.98 (#peak 777 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 777, nxpk= 0, iat= 247, 618, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 17 THR H 40 HIS HB3 5.70 (#peak 778 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 778, nxpk= 0, iat= 247, 619, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 17 THR H 39 PHE HB2 5.41 (#peak 779 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 779, nxpk= 0, iat= 247, 598, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 17 THR H 17 THR QG2 4.36 (#peak 780 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 780, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 253, 254, 255,
&end
#
# 15 VAL QG2 17 THR H 5.67 (#peak 781 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 781, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 225, 226, 227,
&end
#
# 16 VAL H 24 THR HA 5.45 (#peak 786 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 786, nxpk= 0, iat= 231, 362, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 15 VAL HA 16 VAL H 3.38 (#peak 788 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 788, nxpk= 0, iat= 217, 231, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 15 VAL HB 16 VAL H 3.36 (#peak 790 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 790, nxpk= 0, iat= 219, 231, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 16 VAL H 24 THR QG2 4.38 (#peak 791 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 791, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 366, 367, 368,
&end
#
# 15 VAL QG1 16 VAL H 3.98 (#peak 792 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 792, nxpk= 0, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 221, 222, 223,
&end
#
# 16 VAL H 16 VAL QG1 3.42 (#peak 794 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 794, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 237, 238, 239,
&end
#
# 15 VAL H 16 VAL H 5.47 (#peak 798 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 798, nxpk= 0, iat= 215, 231, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 14 ARG HA 15 VAL H 3.18 (#peak 802 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 802, nxpk= 0, iat= 193, 215, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 15 VAL H 16 VAL HA 5.64 (#peak 804 #SUP 1.00;)
&rst
ixpk= 804, nxpk= 0, iat= 215, 233, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 15 VAL H 43 ASN HB3 6.16 (#peak 806 #SUP 0.93 #QF 0.85;)
&rst
ixpk= 806, nxpk= 0, iat= 215, 677, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 15 VAL H 43 ASN HB2 6.16 (#peak 806 #SUP 0.93 #QF 0.85;)
&rst
ixpk= 806, nxpk= 0, iat= 215, 676, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 14 ARG HB3 15 VAL H 4.75 (#peak 807 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 807, nxpk= 0, iat= 196, 215, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 14 ARG QG 15 VAL H 4.03 (#peak 808 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 808, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 198, 199,
&end
#
# 15 VAL H 15 VAL QG2 3.55 (#peak 810 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 810, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 225, 226, 227,
&end
#
# 14 ARG H 43 ASN HA 5.79 (#peak 813 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 813, nxpk= 0, iat= 191, 674, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 14 ARG H 14 ARG HB3 3.84 (#peak 815 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 815, nxpk= 0, iat= 191, 196, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 14 ARG H 14 ARG HB2 3.45 (#peak 816 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 816, nxpk= 0, iat= 191, 195, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 14 ARG H 15 VAL QG1 5.60 (#peak 817 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 817, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 221, 222, 223,
&end
#
# 12 SER HA 13 CYS H 2.98 (#peak 821 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 821, nxpk= 0, iat= 171, 180, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 13 CYS H 44 GLY HA3 5.85 (#peak 823 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 823, nxpk= 0, iat= 180, 689, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 13 CYS H 13 CYS HB2 4.46 (#peak 824 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 824, nxpk= 0, iat= 180, 184, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 13 CYS H 45 VAL HB 6.16 (#peak 825 #SUP 0.76 #QF 0.76;)
&rst
ixpk= 825, nxpk= 0, iat= 180, 697, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 11 GLN HA 12 SER H 3.26 (#peak 828 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 828, nxpk= 0, iat= 154, 169, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 11 GLN QG 12 SER H 5.01 (#peak 830 #SUP 1.00;)
&rst
ixpk= 830, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 159, 160,
&end
#
# 11 GLN QB 12 SER H 4.50 (#peak 831 #SUP 1.00;)
&rst
ixpk= 831, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 156, 157,
&end
#
# 8 ILE HA 10 GLU H 4.84 (#peak 837 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 837, nxpk= 0, iat= 96, 137, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 9 ARG QD 10 GLU H 5.57 (#peak 838 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 838, nxpk= 0, iat= -1, 137, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 123, 124,
&end
#
# 10 GLU H 10 GLU QG 3.76 (#peak 839 #SUP 1.00;)
&rst
ixpk= 839, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 144, 145,
&end
#
# 10 GLU H 10 GLU HB2 4.35 (#peak 840 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 840, nxpk= 0, iat= 137, 141, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 10 GLU H 10 GLU HB3 3.64 (#peak 841 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 841, nxpk= 0, iat= 137, 142, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 9 ARG H 10 GLU H 3.67 (#peak 844 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 844, nxpk= 0, iat= 113, 137, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 8 ILE HA 9 ARG H 3.29 (#peak 846 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 846, nxpk= 0, iat= 96, 113, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 9 ARG H 10 GLU QG 5.15 (#peak 848 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 848, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 144, 145,
&end
#
# 8 ILE HB 9 ARG H 3.88 (#peak 849 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 849, nxpk= 0, iat= 98, 113, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 9 ARG H 9 ARG HG2 4.36 (#peak 850 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 850, nxpk= 0, iat= 113, 120, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 6 GLN QG 7 SER H 5.42 (#peak 854 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 854, nxpk= 0, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 73, 74,
&end
#
# 6 GLN HB2 7 SER H 5.05 (#peak 855 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 855, nxpk= 0, iat= 70, 83, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 88 PRO HA 89 LYS H 3.47 (#peak 857 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 857, nxpk= 0, iat=1415,1419, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 88 PRO QD 89 LYS H 5.73 (#peak 858 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 858, nxpk= 0, iat= -1,1419, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1406,1407,
&end
#
# 89 LYS H 89 LYS QG 5.52 (#peak 860 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 860, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1426,1427,
&end
#
# 64 PRO HA 65 LYS H 3.26 (#peak 868 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 868, nxpk= 0, iat=1025,1029, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 65 LYS H 65 LYS QE 5.39 (#peak 869 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 869, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1042,1043,
&end
#
# 65 LYS H 65 LYS QB 3.96 (#peak 870 #SUP 1.00;)
&rst
ixpk= 870, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1033,1034,
&end
#
# 65 LYS H 65 LYS HG3 4.58 (#peak 872 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 872, nxpk= 0, iat=1029,1037, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 64 PRO HB2 65 LYS H 4.44 (#peak 873 #SUP 1.00;)
&rst
ixpk= 873, nxpk= 0, iat=1022,1029, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 64 PRO HG3 65 LYS H 5.61 (#peak 874 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 874, nxpk= 0, iat=1020,1029, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 64 PRO HG2 65 LYS H 5.43 (#peak 875 #SUP 1.00;)
&rst
ixpk= 875, nxpk= 0, iat=1019,1029, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 2 PRO QG 3 MET H 4.72 (#peak 878 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 878, nxpk= 0, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 15, 16,
&end
#
# 3 MET QB 4 GLY H 5.35 (#peak 882 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 882, nxpk= 0, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 29, 30,
&end
#
# 4 GLY QA 5 MET H 3.67 (#peak 885 #SUP 1.00;)
&rst
ixpk= 885, nxpk= 0, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 44, 45,
&end
#
# 5 MET H 5 MET HB3 4.47 (#peak 886 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 886, nxpk= 0, iat= 49, 54, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 66 LYS H 67 HIS H 5.71 (#peak 887 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 887, nxpk= 0, iat=1051,1073, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 67 HIS H 67 HIS HD2 5.22 (#peak 888 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 888, nxpk= 0, iat=1073,1086, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 66 LYS HA 67 HIS H 3.85 (#peak 889 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 889, nxpk= 0, iat=1053,1073, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 66 LYS HB2 67 HIS H 4.67 (#peak 892 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 892, nxpk= 0, iat=1055,1073, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 66 LYS H 76 TRP HE1 5.66 (#peak 893 #SUP 1.00;)
&rst
ixpk= 893, nxpk= 0, iat=1051,1213, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 65 LYS H 66 LYS H 3.40 (#peak 894 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 894, nxpk= 0, iat=1029,1051, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 65 LYS QE 66 LYS H 5.75 (#peak 900 #SUP 1.00 #QF 0.95;)
&rst
ixpk= 900, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1042,1043,
&end
#
# 66 LYS H 66 LYS QE 6.16 (#peak 900 #SUP 1.00 #QF 0.95;)
&rst
ixpk= 900, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=1064,1065,
&end
#
# 66 LYS H 66 LYS HB2 4.31 (#peak 901 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 901, nxpk= 0, iat=1051,1055, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 66 LYS H 66 LYS HB3 3.52 (#peak 902 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 902, nxpk= 0, iat=1051,1056, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 66 LYS H 66 LYS HG2 4.39 (#peak 904 #SUP 0.97 #QF 0.51;)
&rst
ixpk= 904, nxpk= 0, iat=1051,1058, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 64 PRO HB2 66 LYS H 4.16 (#peak 905 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 905, nxpk= 0, iat=1022,1051, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 64 PRO HG2 66 LYS H 5.53 (#peak 906 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 906, nxpk= 0, iat=1019,1051, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 55 ASN HA 55 ASN HD22 5.40 (#peak 913 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 913, nxpk= 0, iat= 861, 869, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 55 ASN HD22 70 THR HB 5.02 (#peak 915 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 915, nxpk= 0, iat= 869,1115, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 55 ASN HB3 55 ASN HD22 3.98 (#peak 917 #SUP 1.00;)
&rst
ixpk= 917, nxpk= 0, iat= 864, 869, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 55 ASN HB2 55 ASN HD22 4.48 (#peak 918 #SUP 1.00;)
&rst
ixpk= 918, nxpk= 0, iat= 863, 869, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 51 CYZN HB2 55 ASN HD22 6.16 (#peak 919 #SUP 0.63 #QF 0.63;)
&rst
ixpk= 919, nxpk= 0, iat= 821, 869, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 55 ASN HD22 70 THR QG2 5.73 (#peak 920 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 920, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr2=1117,1118,1119,
&end
#
# 43 ASN HA 43 ASN HD21 5.67 (#peak 923 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 923, nxpk= 0, iat= 674, 681, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 14 ARG HA 43 ASN HD21 5.78 (#peak 924 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 924, nxpk= 0, iat= 193, 681, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 14 ARG QG 43 ASN HD21 5.84 (#peak 927 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 927, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 198, 199,
&end
#
# 11 GLN QG 11 GLN HE21 3.61 (#peak 930 #SUP 1.00;)
&rst
ixpk= 930, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 159, 160,
&end
#
# 11 GLN QB 11 GLN HE21 5.52 (#peak 931 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 931, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 156, 157,
&end
#
# 10 GLU HB2 11 GLN HE21 6.16 (#peak 932 #SUP 0.45 #QF 0.45;)
&rst
ixpk= 932, nxpk= 0, iat= 141, 164, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 11 GLN HE21 46 LYS QD 5.77 (#peak 933 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 933, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr2= 719, 720,
&end
#
# 11 GLN HE21 82 LEU QQD 4.94 (#peak 934 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 934, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 35 GLU HA 36 ASN HD21 5.86 (#peak 940 #SUP 0.66 #QF 0.66;)
&rst
ixpk= 940, nxpk= 0, iat= 537, 559, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 36 ASN HB2 36 ASN HD21 3.73 (#peak 942 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 942, nxpk= 0, iat= 554, 559, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 43 ASN HA 43 ASN HD22 5.67 (#peak 945 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 945, nxpk= 0, iat= 674, 682, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 14 ARG HA 43 ASN HD22 5.78 (#peak 946 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 946, nxpk= 0, iat= 193, 682, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 12 SER QB 43 ASN HD22 6.16 (#peak 947 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 947, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 173, 174,
&end
#
# 36 ASN HB2 36 ASN HD22 4.20 (#peak 952 #SUP 1.00;)
&rst
ixpk= 952, nxpk= 0, iat= 554, 560, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 11 GLN QG 11 GLN HE22 4.02 (#peak 957 #SUP 1.00;)
&rst
ixpk= 957, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 159, 160,
&end
#
# 11 GLN HE22 82 LEU QB 6.16 (#peak 959 #SUP 0.66 #QF 0.28;)
&rst
ixpk= 959, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=1310,1311,
&end
#
# 11 GLN HE22 82 LEU QQD 5.12 (#peak 960 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 960, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 11 GLN QB 11 GLN HE22 5.97 (#peak 961 #SUP 0.98 #QF 0.94;)
&rst
ixpk= 961, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 156, 157,
&end
#
# 11 GLN HE22 81 MET QG 6.16 (#peak 961 #SUP 0.98 #QF 0.94;)
&rst
ixpk= 961, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=1296,1297,
&end
#
# 78 ARG HB2 78 ARG HE 5.63 (#peak 972 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 972, nxpk= 0, iat=1246,1255, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 22 LYS H 22 LYS QD 4.91 (#peak 974 #SUP 1.00;)
&rst
ixpk= 974, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 327, 328,
&end
#
# 5 MET H 5 MET HG3 5.32 (#peak 977 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 977, nxpk= 0, iat= 49, 57, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 5 MET H 5 MET HB2 4.47 (#peak 978 #SUP 1.00;)
&rst
ixpk= 978, nxpk= 0, iat= 49, 53, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 6 GLN H 6 GLN HB2 4.55 (#peak 979 #SUP 1.00;)
&rst
ixpk= 979, nxpk= 0, iat= 66, 70, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 6 GLN HB3 7 SER H 5.05 (#peak 982 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 982, nxpk= 0, iat= 71, 83, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 9 ARG H 9 ARG HG3 4.49 (#peak 983 #SUP 1.00;)
&rst
ixpk= 983, nxpk= 0, iat= 113, 121, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 12 SER QB 13 CYS H 4.20 (#peak 986 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 986, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 173, 174,
&end
#
# 14 ARG H 15 VAL H 5.33 (#peak 990 #SUP 1.00;)
&rst
ixpk= 990, nxpk= 0, iat= 191, 215, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 15 VAL QG2 16 VAL H 3.99 (#peak 993 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 993, nxpk= 0, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 225, 226, 227,
&end
#
# 19 LYS H 19 LYS QD 5.00 (#peak 995 #SUP 1.00;)
&rst
ixpk= 995, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 281, 282,
&end
#
# 19 LYS H 19 LYS HG3 4.37 (#peak 996 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 996, nxpk= 0, iat= 271, 279, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 18 CYZN HB2 22 LYS H 5.51 (#peak 998 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 998, nxpk= 0, iat= 266, 317, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 23 TYR H 23 TYR HB3 4.61 (#peak 999 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 999, nxpk= 0, iat= 339, 344, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 19 LYS QD 23 TYR H 6.16 (#peak 1000 #SUP 0.84 #QF 0.25;)
&rst
ixpk= 1000, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 281, 282,
&end
#
# 22 LYS QD 23 TYR H 6.16 (#peak 1000 #SUP 0.84 #QF 0.25;)
&rst
ixpk= 1000, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 327, 328,
&end
#
# 23 TYR HB2 24 THR H 3.67 (#peak 1001 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1001, nxpk= 0, iat= 343, 360, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 27 LYS H 27 LYS QB 4.24 (#peak 1005 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 1005, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 415, 416,
&end
#
# 29 LYS H 29 LYS HB3 4.10 (#peak 1006 #SUP 1.00;)
&rst
ixpk= 1006, nxpk= 0, iat= 447, 452, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 29 LYS H 29 LYS QD 4.42 (#peak 1009 #SUP 1.00;)
&rst
ixpk= 1009, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 457, 458,
&end
#
# 33 VAL H 33 VAL QG2 4.31 (#peak 1011 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1011, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 518, 519, 520,
&end
#
# 33 VAL H 34 SER HA 5.80 (#peak 1012 #SUP 1.00;)
&rst
ixpk= 1012, nxpk= 0, iat= 508, 526, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 36 ASN HB3 37 HIZ+ H 4.73 (#peak 1013 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1013, nxpk= 0, iat= 555, 564, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 32 CYZN HA 37 HIZ+ H 4.42 (#peak 1015 #SUP 1.00;)
&rst
ixpk= 1015, nxpk= 0, iat= 500, 564, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 37 HIZ+ HB2 38 ASP H 4.05 (#peak 1016 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1016, nxpk= 0, iat= 568, 582, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 21 CYZN H 38 ASP H 6.16 (#peak 1017 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 1017, nxpk= 0, iat= 307, 582, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 20 THR HB 38 ASP H 4.21 (#peak 1019 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1019, nxpk= 0, iat= 297, 582, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 39 PHE H 39 PHE HB2 3.86 (#peak 1020 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1020, nxpk= 0, iat= 594, 598, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 19 LYS HG2 40 HIS H 5.30 (#peak 1021 #SUP 0.71 #QF 0.71;)
&rst
ixpk= 1021, nxpk= 0, iat= 278, 614, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 39 PHE HB2 40 HIS H 3.92 (#peak 1022 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1022, nxpk= 0, iat= 598, 614, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 64 PRO HG2 76 TRP HE1 5.29 (#peak 1026 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1026, nxpk= 0, iat=1019,1213, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 28 PRO HG3 41 TRP HE1 5.14 (#peak 1029 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 1029, nxpk= 0, iat= 438, 641, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 28 PRO HG2 41 TRP HE1 5.66 (#peak 1030 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 1030, nxpk= 0, iat= 437, 641, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 66 LYS HG3 76 TRP HE1 5.34 (#peak 1031 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 1031, nxpk= 0, iat=1059,1213, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 76 TRP HB2 76 TRP HE1 5.59 (#peak 1034 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1034, nxpk= 0, iat=1207,1213, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 39 PHE HB2 41 TRP HE1 5.47 (#peak 1035 #SUP 0.59 #QF 0.59;)
&rst
ixpk= 1035, nxpk= 0, iat= 598, 641, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 67 HIS HB3 76 TRP HE1 6.16 (#peak 1037 #SUP 0.69 #QF 0.69;)
&rst
ixpk= 1037, nxpk= 0, iat=1078,1213, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 41 TRP QB 41 TRP HE1 5.15 (#peak 1038 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1038, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 635, 636,
&end
#
# 28 PRO HD3 41 TRP HE1 5.45 (#peak 1039 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1039, nxpk= 0, iat= 435, 641, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 74 PHE HA 76 TRP HE1 4.86 (#peak 1041 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1041, nxpk= 0, iat=1163,1213, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 67 HIS HA 76 TRP HE1 4.09 (#peak 1042 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1042, nxpk= 0, iat=1075,1213, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 66 LYS HA 76 TRP HE1 6.16 (#peak 1043 #SUP 0.53 #QF 0.53;)
&rst
ixpk= 1043, nxpk= 0, iat=1053,1213, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 65 LYS H 76 TRP HE1 6.16 (#peak 1051 #SUP 0.34 #QF 0.34;)
&rst
ixpk= 1051, nxpk= 0, iat=1029,1213, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 41 TRP H 41 TRP HE1 5.70 (#peak 1052 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 1052, nxpk= 0, iat= 631, 641, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 44 GLY H 45 VAL H 4.78 (#peak 1057 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1057, nxpk= 0, iat= 686, 693, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 45 VAL H 45 VAL QG2 4.54 (#peak 1058 #SUP 1.00;)
&rst
ixpk= 1058, nxpk= 0, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 703, 704, 705,
&end
#
# 46 LYS H 46 LYS HB3 4.07 (#peak 1060 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1060, nxpk= 0, iat= 709, 714, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 45 VAL HB 46 LYS H 4.69 (#peak 1061 #SUP 1.00;)
&rst
ixpk= 1061, nxpk= 0, iat= 697, 709, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 10 GLU HA 46 LYS H 6.16 (#peak 1062 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1062, nxpk= 0, iat= 139, 709, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 45 VAL QG1 46 LYS H 4.48 (#peak 1063 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1063, nxpk= 0, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 699, 700, 701,
&end
#
# 47 ARG H 47 ARG HE 6.16 (#peak 1064 #SUP 1.00 #QF 0.61;)
&rst
ixpk= 1064, nxpk= 0, iat= 731, 744, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 47 ARG H 49 PHE HZ 6.16 (#peak 1064 #SUP 1.00 #QF 0.61;)
&rst
ixpk= 1064, nxpk= 0, iat= 731, 787, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 46 LYS HA 47 ARG H 2.98 (#peak 1065 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 1065, nxpk= 0, iat= 711, 731, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 49 PHE H 49 PHE HB3 4.36 (#peak 1067 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1067, nxpk= 0, iat= 775, 780, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 50 LYS H 76 TRP HB3 4.70 (#peak 1068 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1068, nxpk= 0, iat= 795,1208, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 50 LYS H 51 CYZN H 5.22 (#peak 1070 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1070, nxpk= 0, iat= 795, 817, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 51 CYZN HB3 53 CYZN H 4.19 (#peak 1071 #SUP 0.58 #QF 0.58;)
&rst
ixpk= 1071, nxpk= 0, iat= 822, 842, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 53 CYZN H 54 GLY HA3 6.13 (#peak 1072 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 1072, nxpk= 0, iat= 842, 855, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 56 ARG H 56 ARG HG2 4.18 (#peak 1075 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 1075, nxpk= 0, iat= 873, 880, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 49 PHE QD 58 ILE H 5.45 (#peak 1077 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1077, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 783, 791,
&end
#
# 58 ILE H 58 ILE HG12 4.63 (#peak 1078 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1078, nxpk= 0, iat= 911, 921, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 49 PHE HZ 59 SER H 5.51 (#peak 1079 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1079, nxpk= 0, iat= 787, 930, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 60 LEU H 60 LEU HB2 3.54 (#peak 1081 #SUP 0.69 #QF 0.69;)
&rst
ixpk= 1081, nxpk= 0, iat= 941, 945, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 60 LEU HB2 61 ASP H 4.27 (#peak 1082 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1082, nxpk= 0, iat= 945, 960, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 24 THR HB 25 HIS H 4.91 (#peak 1085 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 1085, nxpk= 0, iat= 364, 374, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 65 LYS H 65 LYS HG2 4.58 (#peak 1086 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1086, nxpk= 0, iat=1029,1036, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 64 PRO HB3 65 LYS H 3.75 (#peak 1087 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1087, nxpk= 0, iat=1023,1029, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 66 LYS H 66 LYS HG3 3.85 (#peak 1088 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1088, nxpk= 0, iat=1051,1059, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 68 CYZN HB3 70 THR H 5.07 (#peak 1092 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 1092, nxpk= 0, iat=1094,1111, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 67 HIS HA 73 LEU H 5.96 (#peak 1095 #SUP 0.83 #QF 0.40;)
&rst
ixpk= 1095, nxpk= 0, iat=1075,1142, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 68 CYZN HA 73 LEU H 6.16 (#peak 1095 #SUP 0.83 #QF 0.40;)
&rst
ixpk= 1095, nxpk= 0, iat=1092,1142, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 72 GLY HA2 73 LEU H 3.79 (#peak 1097 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1097, nxpk= 0, iat=1137,1142, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 71 CYZN HB2 73 LEU H 5.42 (#peak 1098 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1098, nxpk= 0, iat=1130,1142, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 73 LEU H 73 LEU QD1 4.38 (#peak 1103 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1103, nxpk= 0, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1151,1152,1153,
&end
#
# 74 PHE H 75 LYS QE 6.16 (#peak 1106 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1106, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=1194,1195,
&end
#
# 74 PHE H 75 LYS HB2 5.59 (#peak 1107 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1107, nxpk= 0, iat=1161,1185, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 75 LYS H 75 LYS HG3 5.30 (#peak 1110 #SUP 1.00;)
&rst
ixpk= 1110, nxpk= 0, iat=1181,1189, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 49 PHE HB3 77 GLU H 4.57 (#peak 1112 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1112, nxpk= 0, iat= 780,1227, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 77 GLU H 77 GLU HB2 3.77 (#peak 1113 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1113, nxpk= 0, iat=1227,1231, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 49 PHE HB3 78 ARG H 5.92 (#peak 1114 #SUP 0.98 #QF 0.96;)
&rst
ixpk= 1114, nxpk= 0, iat= 780,1242, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 77 GLU HB2 78 ARG H 4.85 (#peak 1115 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1115, nxpk= 0, iat=1231,1242, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 79 VAL H 79 VAL QG1 3.84 (#peak 1116 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1116, nxpk= 0, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1272,1273,1274,
&end
#
# 81 MET HB3 82 LEU H 4.60 (#peak 1117 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1117, nxpk= 0, iat=1294,1306, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 47 ARG H 47 ARG HB2 3.76 (#peak 1119 #SUP 0.48 #QF 0.26;)
&rst
ixpk= 1119, nxpk= 0, iat= 731, 735, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 47 ARG H 47 ARG HB3 4.67 (#peak 1120 #SUP 0.67 #QF 0.53;)
&rst
ixpk= 1120, nxpk= 0, iat= 731, 736, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 83 LYS H 83 LYS QG 4.96 (#peak 1120 #SUP 0.67 #QF 0.53;)
&rst
ixpk= 1120, nxpk= 0, iat=1325, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1332,1333,
&end
#
# 49 PHE HA 50 LYS H 3.43 (#peak 1121 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1121, nxpk= 0, iat= 777, 795, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 83 LYS QG 84 GLU H 4.61 (#peak 1125 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1125, nxpk= 0, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1332,1333,
&end
#
# 85 LYS H 85 LYS HD3 4.51 (#peak 1126 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1126, nxpk= 0, iat=1362,1373, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 84 GLU QG 85 LYS H 4.40 (#peak 1128 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1128, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1354,1355,
&end
#
# 85 LYS H 85 LYS QB 3.88 (#peak 1129 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1129, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1366,1367,
&end
#
# 89 LYS H 89 LYS QD 4.73 (#peak 1132 #SUP 0.50 #QF 0.50;)
&rst
ixpk= 1132, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1429,1430,
&end
#
# 89 LYS H 89 LYS QB 4.20 (#peak 1133 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 1133, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1423,1424,
&end
#
# 55 ASN HD21 70 THR H 5.12 (#peak 1136 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1136, nxpk= 0, iat= 868,1111, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 55 ASN HD21 76 TRP HZ2 4.44 (#peak 1140 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1140, nxpk= 0, iat= 868,1216, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 55 ASN HD21 70 THR HB 5.01 (#peak 1143 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1143, nxpk= 0, iat= 868,1115, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 55 ASN HB3 55 ASN HD21 3.89 (#peak 1144 #SUP 1.00;)
&rst
ixpk= 1144, nxpk= 0, iat= 864, 868, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 51 CYZN HB2 55 ASN HD21 5.58 (#peak 1146 #SUP 0.99 #QF 0.76;)
&rst
ixpk= 1146, nxpk= 0, iat= 821, 868, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 55 ASN HD21 68 CYZN HB2 6.16 (#peak 1146 #SUP 0.99 #QF 0.76;)
&rst
ixpk= 1146, nxpk= 0, iat= 868,1095, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 36 ASN HA 36 ASN HD21 5.36 (#peak 1148 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1148, nxpk= 0, iat= 552, 559, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 14 ARG H 15 VAL HA 6.01 (#peak 1152 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 1152, nxpk= 0, iat= 191, 217, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 50 LYS HA 57 THR H 4.16 (#peak 1156 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1156, nxpk= 0, iat= 797, 897, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 50 LYS H 57 THR H 5.61 (#peak 1157 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 1157, nxpk= 0, iat= 795, 897, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 36 ASN HA 36 ASN HD22 5.64 (#peak 1159 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 1159, nxpk= 0, iat= 552, 560, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 55 ASN HB3 70 THR H 5.60 (#peak 1162 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1162, nxpk= 0, iat= 864,1111, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 31 THR HA 32 CYZN H 3.92 (#peak 1164 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1164, nxpk= 0, iat= 486, 498, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 55 ASN HB2 70 THR H 5.49 (#peak 1168 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1168, nxpk= 0, iat= 863,1111, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 51 CYZN HB2 53 CYZN H 4.79 (#peak 1169 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1169, nxpk= 0, iat= 821, 842, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 59 SER HB3 60 LEU H 4.51 (#peak 1170 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1170, nxpk= 0, iat= 935, 941, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 59 SER H 59 SER HB3 4.11 (#peak 1171 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1171, nxpk= 0, iat= 930, 935, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 35 GLU HB3 36 ASN H 4.76 (#peak 1173 #SUP 1.00;)
&rst
ixpk= 1173, nxpk= 0, iat= 540, 550, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 32 CYZN H 32 CYZN HB2 3.55 (#peak 1177 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1177, nxpk= 0, iat= 498, 503, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 32 CYZN HB2 33 VAL H 4.00 (#peak 1178 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1178, nxpk= 0, iat= 503, 508, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 52 PRO HG3 53 CYZN H 5.19 (#peak 1180 #SUP 1.00;)
&rst
ixpk= 1180, nxpk= 0, iat= 833, 842, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 62 ARG H 62 ARG HG2 4.18 (#peak 1181 #SUP 1.00;)
&rst
ixpk= 1181, nxpk= 0, iat= 972, 979, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 78 ARG HB3 78 ARG HE 6.04 (#peak 1182 #SUP 1.00;)
&rst
ixpk= 1182, nxpk= 0, iat=1247,1255, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 78 ARG H 78 ARG HB3 3.38 (#peak 1183 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 1183, nxpk= 0, iat=1242,1247, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 43 ASN HB3 43 ASN HD22 4.02 (#peak 1185 #SUP 0.68 #QF 0.68;)
&rst
ixpk= 1185, nxpk= 0, iat= 677, 682, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 43 ASN HB3 43 ASN HD21 4.02 (#peak 1186 #SUP 0.81 #QF 0.64;)
&rst
ixpk= 1186, nxpk= 0, iat= 677, 681, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 43 ASN H 43 ASN HB2 4.63 (#peak 1187 #SUP 1.00 #QF 0.68;)
&rst
ixpk= 1187, nxpk= 0, iat= 672, 676, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 51 CYZN H 53 CYZN H 6.16 (#peak 1188 #SUP 0.60 #QF 0.60;)
&rst
ixpk= 1188, nxpk= 0, iat= 817, 842, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 51 CYZN H 56 ARG HA 4.39 (#peak 1189 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1189, nxpk= 0, iat= 817, 875, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 53 CYZN H 54 GLY HA2 6.13 (#peak 1190 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1190, nxpk= 0, iat= 842, 854, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 49 PHE HB2 50 LYS H 4.36 (#peak 1191 #SUP 0.99 #QF 0.92;)
&rst
ixpk= 1191, nxpk= 0, iat= 779, 795, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 50 LYS H 77 GLU HB3 4.92 (#peak 1191 #SUP 0.99 #QF 0.92;)
&rst
ixpk= 1191, nxpk= 0, iat= 795,1232, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 84 GLU HA 85 LYS H 2.92 (#peak 1192 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 1192, nxpk= 0, iat=1349,1362, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 76 TRP HA 76 TRP HE1 6.16 (#peak 1193 #SUP 0.43 #QF 0.43;)
&rst
ixpk= 1193, nxpk= 0, iat=1205,1213, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 34 SER H 34 SER HB2 3.38 (#peak 1194 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1194, nxpk= 0, iat= 524, 528, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 34 SER HB2 35 GLU H 4.57 (#peak 1195 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1195, nxpk= 0, iat= 528, 535, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 22 LYS HB2 23 TYR H 4.96 (#peak 1196 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 1196, nxpk= 0, iat= 321, 339, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 29 LYS HG2 30 GLU H 4.80 (#peak 1199 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1199, nxpk= 0, iat= 454, 469, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 24 THR QG2 42 HIS H 6.16 (#peak 1201 #SUP 0.70 #QF 0.70;)
&rst
ixpk= 1201, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 366, 367, 368,
&end
#
# 50 LYS H 77 GLU HA 5.70 (#peak 1202 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 1202, nxpk= 0, iat= 795,1229, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 55 ASN HD21 69 SER H 4.40 (#peak 1205 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 1205, nxpk= 0, iat= 868,1100, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 25 HIS HB2 27 LYS H 4.21 (#peak 1209 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1209, nxpk= 0, iat= 378, 411, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 18 CYZN HA 21 CYZN H 5.58 (#peak 1210 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 1210, nxpk= 0, iat= 263, 307, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 18 CYZN H 19 LYS HA 6.16 (#peak 1212 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1212, nxpk= 0, iat= 261, 273, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 13 CYS H 45 VAL QG2 5.22 (#peak 1214 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 1214, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 703, 704, 705,
&end
#
# 8 ILE QG2 9 ARG H 4.18 (#peak 1215 #SUP 1.00;)
&rst
ixpk= 1215, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 100, 101, 102,
&end
#
# 40 HIS HD2 41 TRP H 5.44 (#peak 1220 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1220, nxpk= 0, iat= 627, 631, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 13 CYS HA 14 ARG H 3.08 (#peak 1221 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 1221, nxpk= 0, iat= 182, 191, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 71 CYZN HA 73 LEU H 6.16 (#peak 1222 #SUP 0.74 #QF 0.74;)
&rst
ixpk= 1222, nxpk= 0, iat=1127,1142, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 64 PRO HG3 76 TRP HE1 5.71 (#peak 1224 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 1224, nxpk= 0, iat=1020,1213, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 31 THR H 32 CYZN HB3 6.16 (#peak 1225 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 1225, nxpk= 0, iat= 484, 502, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 73 LEU H 73 LEU QD2 4.38 (#peak 1226 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 1226, nxpk= 0, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1155,1156,1157,
&end
#
# 72 GLY H 73 LEU QD2 6.14 (#peak 1227 #SUP 1.00;)
&rst
ixpk= 1227, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr2=1155,1156,1157,
&end
#
# 75 LYS H 75 LYS QD 5.15 (#peak 1229 #SUP 1.00;)
&rst
ixpk= 1229, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1191,1192,
&end
#
# 57 THR H 76 TRP HE3 5.49 (#peak 1231 #SUP 0.95 #QF 0.89;)
&rst
ixpk= 1231, nxpk= 0, iat= 897,1222, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 57 THR H 76 TRP HH2 6.04 (#peak 1231 #SUP 0.95 #QF 0.89;)
&rst
ixpk= 1231, nxpk= 0, iat= 897,1218, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 63 LEU QB 64 PRO HD2 4.07 (#peak 2 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1000,1001,
&end
#
# 28 PRO HB3 32 CYZN HB2 5.98 (#peak 8 #SUP 0.91 #QF 0.66;)
&rst
ixpk= 8, nxpk= 0, iat= 441, 503, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 28 PRO HB3 41 TRP HZ2 5.87 (#peak 14 #SUP 0.96 #QF 0.88;)
&rst
ixpk= 14, nxpk= 0, iat= 441, 644, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 16 VAL QG2 28 PRO HB2 5.15 (#peak 16 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 16, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 241, 242, 243,
&end
#
# 16 VAL QG1 28 PRO HB2 4.94 (#peak 17 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 17, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 237, 238, 239,
&end
#
# 28 PRO HB2 32 CYZN H 5.68 (#peak 25 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 25, nxpk= 0, iat= 440, 498, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 28 PRO HB2 39 PHE QE 5.13 (#peak 27 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 27, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 604, 608,
&end
#
# 57 THR QG2 64 PRO HB2 5.08 (#peak 31 #SUP 1.00;)
&rst
ixpk= 31, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 903, 904, 905,
&end
#
# 64 PRO HB2 76 TRP HD1 5.10 (#peak 37 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 37, nxpk= 0, iat=1022,1211, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 64 PRO HB2 76 TRP HE1 4.79 (#peak 40 #SUP 1.00;)
&rst
ixpk= 40, nxpk= 0, iat=1022,1213, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 64 PRO HB3 76 TRP HE1 6.05 (#peak 41 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 41, nxpk= 0, iat=1023,1213, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 64 PRO HB3 66 LYS H 4.84 (#peak 43 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 43, nxpk= 0, iat=1023,1051, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 59 SER HA 64 PRO HB3 5.52 (#peak 45 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 45, nxpk= 0, iat= 932,1023, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 57 THR QG2 64 PRO HG2 4.59 (#peak 51 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 51, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 903, 904, 905,
&end
#
# 64 PRO HG2 76 TRP HB3 5.43 (#peak 57 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 57, nxpk= 0, iat=1019,1208, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 49 PHE QD 64 PRO HG2 6.16 (#peak 59 #SUP 1.00 #QF 0.97;)
&rst
ixpk= 59, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 783, 791,
&end
#
# 64 PRO HG2 76 TRP H 6.16 (#peak 59 #SUP 1.00 #QF 0.97;)
&rst
ixpk= 59, nxpk= 0, iat=1019,1203, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 46 LYS HA 58 ILE QG2 4.98 (#peak 77 #SUP 1.00;)
&rst
ixpk= 77, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 917, 918, 919,
&end
#
# 47 ARG HA 58 ILE QG2 5.39 (#peak 77 #SUP 1.00;)
&rst
ixpk= 77, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 917, 918, 919,
&end
#
# 58 ILE QG2 59 SER HA 4.48 (#peak 78 #SUP 1.00;)
&rst
ixpk= 78, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 917, 918, 919,
&end
#
# 49 PHE H 58 ILE QG2 5.16 (#peak 84 #SUP 0.96 #QF 0.94;)
&rst
ixpk= 84, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 917, 918, 919,
&end
#
# 8 ILE HA 8 ILE QD1 4.10 (#peak 92 #SUP 1.00;)
&rst
ixpk= 92, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 107, 108, 109,
&end
#
# 7 SER HA 8 ILE QD1 4.69 (#peak 93 #SUP 0.70 #QF 0.70;)
&rst
ixpk= 93, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 107, 108, 109,
&end
#
# 8 ILE H 8 ILE QD1 4.75 (#peak 95 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 95, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 107, 108, 109,
&end
#
# 58 ILE HB 58 ILE QD1 3.49 (#peak 97 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 97, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 924, 925, 926,
&end
#
# 48 PHE QB 58 ILE QD1 4.59 (#peak 99 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 99, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 759, 760,
igr2= 924, 925, 926,
&end
#
# 57 THR HA 58 ILE QD1 5.19 (#peak 100 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 100, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 924, 925, 926,
&end
#
# 58 ILE HA 58 ILE QD1 4.61 (#peak 102 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 102, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 924, 925, 926,
&end
#
# 26 PHE QE 58 ILE QD1 5.02 (#peak 103 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 103, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 401, 405,
igr2= 924, 925, 926,
&end
#
# 48 PHE QD 58 ILE QD1 3.88 (#peak 104 #SUP 1.00 #QF 0.95;)
&rst
ixpk= 104, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 763, 771,
igr2= 924, 925, 926,
&end
#
# 26 PHE QD 58 ILE QD1 5.64 (#peak 105 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 105, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1= 399, 407,
igr2= 924, 925, 926,
&end
#
# 58 ILE H 58 ILE QD1 4.96 (#peak 106 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 106, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 924, 925, 926,
&end
#
# 49 PHE H 58 ILE QD1 5.70 (#peak 107 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 107, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2= 924, 925, 926,
&end
#
# 58 ILE QD1 59 SER H 5.77 (#peak 108 #SUP 0.72 #QF 0.72;)
&rst
ixpk= 108, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 924, 925, 926,
&end
#
# 8 ILE QG2 10 GLU HB2 5.11 (#peak 111 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 111, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 100, 101, 102,
&end
#
# 8 ILE QG2 10 GLU QG 4.44 (#peak 112 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 112, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 100, 101, 102,
igr2= 144, 145,
&end
#
# 8 ILE QG2 10 GLU H 3.90 (#peak 118 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 118, nxpk= 0, iat= -1, 137, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 100, 101, 102,
&end
#
# 50 LYS QB 79 VAL QG2 3.38 (#peak 121 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 121, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 799, 800,
igr2=1276,1277,1278,
&end
#
# 50 LYS HG2 79 VAL QG2 5.67 (#peak 123 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 123, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1276,1277,1278,
&end
#
# 48 PHE QB 79 VAL QG2 3.46 (#peak 124 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 124, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 759, 760,
igr2=1276,1277,1278,
&end
#
# 49 PHE HB3 79 VAL QG2 4.92 (#peak 125 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 125, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1276,1277,1278,
&end
#
# 78 ARG HA 79 VAL QG2 4.29 (#peak 128 #SUP 1.00;)
&rst
ixpk= 128, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1276,1277,1278,
&end
#
# 79 VAL HA 79 VAL QG2 3.70 (#peak 129 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 129, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1276,1277,1278,
&end
#
# 48 PHE HA 79 VAL QG2 5.00 (#peak 130 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 130, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1276,1277,1278,
&end
#
# 49 PHE HA 79 VAL QG2 3.85 (#peak 131 #SUP 1.00;)
&rst
ixpk= 131, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1276,1277,1278,
&end
#
# 49 PHE QD 79 VAL QG2 5.47 (#peak 132 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 132, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1= 783, 791,
igr2=1276,1277,1278,
&end
#
# 79 VAL H 79 VAL QG2 3.49 (#peak 134 #SUP 1.00;)
&rst
ixpk= 134, nxpk= 0, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1276,1277,1278,
&end
#
# 50 LYS H 79 VAL QG2 4.18 (#peak 137 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 137, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1276,1277,1278,
&end
#
# 20 THR QG2 21 CYZN H 4.30 (#peak 146 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 146, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 299, 300, 301,
&end
#
# 17 THR QG2 22 LYS H 5.19 (#peak 148 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 148, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 253, 254, 255,
&end
#
# 17 THR QG2 19 LYS HA 4.29 (#peak 155 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 155, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 253, 254, 255,
&end
#
# 17 THR QG2 19 LYS QE 5.44 (#peak 157 #SUP 0.80 #QF 0.49;)
&rst
ixpk= 157, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 253, 254, 255,
igr2= 284, 285,
&end
#
# 17 THR QG2 39 PHE HB3 5.94 (#peak 157 #SUP 0.80 #QF 0.49;)
&rst
ixpk= 157, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 253, 254, 255,
&end
#
# 17 THR QG2 18 CYZN HB3 5.34 (#peak 158 #SUP 0.67 #QF 0.67;)
&rst
ixpk= 158, nxpk= 0, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 253, 254, 255,
&end
#
# 16 VAL QG2 17 THR QG2 5.19 (#peak 160 #SUP 0.65 #QF 0.65;)
&rst
ixpk= 160, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1= 241, 242, 243,
igr2= 253, 254, 255,
&end
#
# 15 VAL QG2 24 THR QG2 3.28 (#peak 161 #SUP 1.00;)
&rst
ixpk= 161, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 225, 226, 227,
igr2= 366, 367, 368,
&end
#
# 15 VAL HB 24 THR QG2 3.70 (#peak 164 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 164, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 366, 367, 368,
&end
#
# 24 THR QG2 60 LEU HB2 4.64 (#peak 165 #SUP 0.87 #QF 0.66;)
&rst
ixpk= 165, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 366, 367, 368,
&end
#
# 24 THR QG2 60 LEU HB3 4.91 (#peak 165 #SUP 0.87 #QF 0.66;)
&rst
ixpk= 165, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 366, 367, 368,
&end
#
# 16 VAL HA 24 THR QG2 5.49 (#peak 167 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 167, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 366, 367, 368,
&end
#
# 24 THR QG2 25 HIS HA 4.69 (#peak 169 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 169, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 366, 367, 368,
&end
#
# 24 THR HA 24 THR QG2 3.65 (#peak 171 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 171, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 366, 367, 368,
&end
#
# 23 TYR QD 24 THR QG2 5.67 (#peak 172 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 172, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 347, 356,
igr2= 366, 367, 368,
&end
#
# 50 LYS H 79 VAL QG1 4.38 (#peak 177 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 177, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1272,1273,1274,
&end
#
# 49 PHE HA 79 VAL QG1 4.52 (#peak 181 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 181, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1272,1273,1274,
&end
#
# 78 ARG HA 79 VAL QG1 5.03 (#peak 183 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 183, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1272,1273,1274,
&end
#
# 50 LYS QE 79 VAL QG1 5.16 (#peak 184 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 184, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 808, 809,
igr2=1272,1273,1274,
&end
#
# 48 PHE QB 79 VAL QG1 5.50 (#peak 185 #SUP 0.59 #QF 0.59;)
&rst
ixpk= 185, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 759, 760,
igr2=1272,1273,1274,
&end
#
# 77 GLU HG3 79 VAL QG1 5.17 (#peak 186 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 186, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1272,1273,1274,
&end
#
# 50 LYS QB 79 VAL QG1 3.42 (#peak 188 #SUP 1.00 #QF 0.96;)
&rst
ixpk= 188, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 799, 800,
igr2=1272,1273,1274,
&end
#
# 50 LYS HG3 79 VAL QG1 4.89 (#peak 189 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 189, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1272,1273,1274,
&end
#
# 10 GLU QG 45 VAL QG1 4.70 (#peak 191 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 191, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 144, 145,
igr2= 699, 700, 701,
&end
#
# 12 SER QB 45 VAL QG1 5.41 (#peak 193 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 193, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1= 173, 174,
igr2= 699, 700, 701,
&end
#
# 45 VAL HA 45 VAL QG1 3.61 (#peak 194 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 194, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 699, 700, 701,
&end
#
# 45 VAL H 45 VAL QG1 4.54 (#peak 196 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 196, nxpk= 0, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 699, 700, 701,
&end
#
# 13 CYS H 45 VAL QG1 5.22 (#peak 197 #SUP 0.99 #QF 0.42;)
&rst
ixpk= 197, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 699, 700, 701,
&end
#
# 45 VAL QG2 46 LYS H 4.48 (#peak 198 #SUP 1.00;)
&rst
ixpk= 198, nxpk= 0, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 703, 704, 705,
&end
#
# 12 SER HA 45 VAL QG2 4.86 (#peak 200 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 200, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 703, 704, 705,
&end
#
# 45 VAL HA 45 VAL QG2 3.61 (#peak 202 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 202, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 703, 704, 705,
&end
#
# 10 GLU HB2 45 VAL QG2 5.33 (#peak 207 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 207, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 703, 704, 705,
&end
#
# 16 VAL QG1 24 THR QG2 4.89 (#peak 211 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 211, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 237, 238, 239,
igr2= 366, 367, 368,
&end
#
# 16 VAL QG1 28 PRO HB3 4.10 (#peak 212 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 212, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 237, 238, 239,
&end
#
# 57 THR QG2 64 PRO HB3 4.23 (#peak 214 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 214, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 903, 904, 905,
&end
#
# 49 PHE HB3 57 THR QG2 4.16 (#peak 216 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 216, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 903, 904, 905,
&end
#
# 57 THR QG2 76 TRP HB3 4.69 (#peak 217 #SUP 0.59 #QF 0.59;)
&rst
ixpk= 217, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 903, 904, 905,
&end
#
# 16 VAL QG1 28 PRO HD3 3.77 (#peak 219 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 219, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 237, 238, 239,
&end
#
# 16 VAL QG1 28 PRO HA 3.66 (#peak 220 #SUP 1.00 #QF 0.86;)
&rst
ixpk= 220, nxpk= 0, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 237, 238, 239,
&end
#
# 16 VAL QG1 27 LYS HA 3.51 (#peak 221 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 221, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 237, 238, 239,
&end
#
# 15 VAL HB 16 VAL QG1 4.50 (#peak 231 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 231, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 237, 238, 239,
&end
#
# 16 VAL QG1 27 LYS QD 5.34 (#peak 232 #SUP 0.98 #QF 0.24;)
&rst
ixpk= 232, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 237, 238, 239,
igr2= 421, 422,
&end
#
# 15 VAL QG2 44 GLY HA3 3.94 (#peak 236 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 236, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG2 16 VAL HA 4.76 (#peak 237 #SUP 0.95 #QF 0.83;)
&rst
ixpk= 237, nxpk= 0, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 225, 226, 227,
&end
#
# 15 VAL HA 15 VAL QG2 4.10 (#peak 238 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 238, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 225, 226, 227,
&end
#
# 28 PRO HG2 33 VAL QG2 5.15 (#peak 252 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 252, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 518, 519, 520,
&end
#
# 33 VAL QG2 39 PHE HZ 3.82 (#peak 255 #SUP 0.63 #QF 0.63;)
&rst
ixpk= 255, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 518, 519, 520,
&end
#
# 33 VAL QG2 36 ASN H 6.16 (#peak 257 #SUP 0.76 #QF 0.76;)
&rst
ixpk= 257, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 518, 519, 520,
&end
#
# 28 PRO HG2 33 VAL QG1 5.15 (#peak 266 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 266, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 514, 515, 516,
&end
#
# 73 LEU QD2 75 LYS HG3 4.28 (#peak 273 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 273, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1155,1156,1157,
&end
#
# 70 THR QG2 71 CYZN H 4.22 (#peak 278 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 278, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1117,1118,1119,
&end
#
# 55 ASN HA 70 THR QG2 4.66 (#peak 280 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 280, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1117,1118,1119,
&end
#
# 70 THR QG2 71 CYZN HA 4.47 (#peak 281 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 281, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1117,1118,1119,
&end
#
# 55 ASN HB2 70 THR QG2 4.85 (#peak 284 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 284, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1117,1118,1119,
&end
#
# 70 THR QG2 71 CYZN HB3 4.29 (#peak 285 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 285, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1117,1118,1119,
&end
#
# 30 GLU QB 31 THR QG2 4.55 (#peak 287 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 287, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 473, 474,
igr2= 490, 491, 492,
&end
#
# 66 LYS HG3 66 LYS QE 4.63 (#peak 296 #SUP 0.99 #QF 0.30;)
&rst
ixpk= 296, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1064,1065,
&end
#
# 85 LYS QG 85 LYS QE 4.64 (#peak 297 #SUP 0.99 #QF 0.35;)
&rst
ixpk= 297, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1369,1370,
igr2=1375,1376,
&end
#
# 20 THR HB 37 HIZ+ HA 5.23 (#peak 317 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 317, nxpk= 0, iat= 297, 566, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 20 THR HB 37 HIZ+ HB2 5.15 (#peak 319 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 319, nxpk= 0, iat= 297, 568, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 20 THR HB 21 CYZN HB2 5.75 (#peak 320 #SUP 0.98 #QF 0.89;)
&rst
ixpk= 320, nxpk= 0, iat= 297, 312, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 20 THR HB 38 ASP HB2 6.16 (#peak 320 #SUP 0.98 #QF 0.89;)
&rst
ixpk= 320, nxpk= 0, iat= 297, 586, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 56 ARG HA 57 THR HB 5.24 (#peak 323 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 323, nxpk= 0, iat= 875, 901, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 24 THR HB 60 LEU HB3 5.51 (#peak 330 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 330, nxpk= 0, iat= 364, 946, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 16 VAL HA 17 THR HB 5.06 (#peak 336 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 336, nxpk= 0, iat= 233, 251, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 17 THR HB 40 HIS HB2 4.48 (#peak 337 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 337, nxpk= 0, iat= 251, 618, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 55 ASN HB3 70 THR HB 4.92 (#peak 344 #SUP 1.00;)
&rst
ixpk= 344, nxpk= 0, iat= 864,1115, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 55 ASN HB2 70 THR HB 4.60 (#peak 345 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 345, nxpk= 0, iat= 863,1115, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 55 ASN HA 70 THR HB 5.77 (#peak 348 #SUP 1.00;)
&rst
ixpk= 348, nxpk= 0, iat= 861,1115, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 70 THR HB 72 GLY H 5.58 (#peak 351 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 351, nxpk= 0, iat=1115,1135, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 31 THR H 31 THR HB 4.26 (#peak 354 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 354, nxpk= 0, iat= 484, 488, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 31 THR HB 35 GLU H 6.16 (#peak 356 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 356, nxpk= 0, iat= 488, 535, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 31 THR HB 32 CYZN H 4.44 (#peak 357 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 357, nxpk= 0, iat= 488, 498, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 31 THR HB 35 GLU HG2 5.38 (#peak 359 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 359, nxpk= 0, iat= 488, 542, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 31 THR HB 35 GLU HG3 5.38 (#peak 360 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 360, nxpk= 0, iat= 488, 543, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 29 LYS QD 31 THR HB 6.16 (#peak 362 #SUP 0.91 #QF 0.27;)
&rst
ixpk= 362, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 457, 458,
&end
#
# 31 THR HB 35 GLU HB2 6.16 (#peak 362 #SUP 0.91 #QF 0.27;)
&rst
ixpk= 362, nxpk= 0, iat= 488, 539, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 20 THR HA 22 LYS QG 5.52 (#peak 365 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 365, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 324, 325,
&end
#
# 19 LYS HB2 20 THR HA 5.13 (#peak 366 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 366, nxpk= 0, iat= 275, 295, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 19 LYS H 20 THR HA 5.62 (#peak 372 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 372, nxpk= 0, iat= 271, 295, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 59 SER HB3 63 LEU HA 5.10 (#peak 380 #SUP 1.00 #QF 0.56;)
&rst
ixpk= 380, nxpk= 0, iat= 935, 998, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 47 ARG H 59 SER HB3 5.57 (#peak 382 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 382, nxpk= 0, iat= 731, 935, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 59 SER HB2 61 ASP H 5.13 (#peak 388 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 388, nxpk= 0, iat= 934, 960, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 47 ARG H 59 SER HB2 6.16 (#peak 389 #SUP 0.95 #QF 0.58;)
&rst
ixpk= 389, nxpk= 0, iat= 731, 934, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 59 SER HB2 65 LYS H 6.16 (#peak 389 #SUP 0.95 #QF 0.58;)
&rst
ixpk= 389, nxpk= 0, iat= 934,1029, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 49 PHE QE 59 SER HB2 4.12 (#peak 390 #SUP 1.00;)
&rst
ixpk= 390, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 785, 789,
&end
#
# 49 PHE QD 59 SER HB2 4.85 (#peak 391 #SUP 1.00;)
&rst
ixpk= 391, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 783, 791,
&end
#
# 59 SER HB2 64 PRO HB3 5.01 (#peak 393 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 393, nxpk= 0, iat= 934,1023, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 47 ARG QG 59 SER HB3 5.38 (#peak 394 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 394, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 738, 739,
&end
#
# 59 SER HB3 64 PRO HG3 5.29 (#peak 395 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 395, nxpk= 0, iat= 935,1020, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 59 SER HB3 64 PRO HG2 6.16 (#peak 396 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 396, nxpk= 0, iat= 935,1019, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 59 SER HB2 64 PRO HG2 5.48 (#peak 397 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 397, nxpk= 0, iat= 934,1019, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 59 SER HB2 64 PRO HG3 4.98 (#peak 399 #SUP 1.00;)
&rst
ixpk= 399, nxpk= 0, iat= 934,1020, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 32 CYZN HB2 33 VAL HA 5.35 (#peak 400 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 400, nxpk= 0, iat= 503, 510, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 28 PRO HB2 33 VAL HA 5.67 (#peak 401 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 401, nxpk= 0, iat= 440, 510, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 33 VAL HA 36 ASN HA 4.92 (#peak 404 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 404, nxpk= 0, iat= 510, 552, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 32 CYZN H 33 VAL HA 5.75 (#peak 405 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 405, nxpk= 0, iat= 498, 510, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 70 THR HA 72 GLY H 6.16 (#peak 409 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 409, nxpk= 0, iat=1113,1135, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 50 LYS QE 52 PRO HA 5.52 (#peak 411 #SUP 0.62 #QF 0.62;)
&rst
ixpk= 411, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 808, 809,
&end
#
# 51 CYZN HB3 52 PRO HA 6.16 (#peak 412 #SUP 0.82 #QF 0.51;)
&rst
ixpk= 412, nxpk= 0, iat= 822, 838, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 55 ASN HB2 70 THR HA 6.16 (#peak 412 #SUP 0.82 #QF 0.51;)
&rst
ixpk= 412, nxpk= 0, iat= 863,1113, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 70 THR HA 70 THR QG2 3.30 (#peak 416 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 416, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1117,1118,1119,
&end
#
# 12 SER HA 12 SER QB 3.27 (#peak 427 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 427, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 173, 174,
&end
#
# 12 SER QB 45 VAL HA 5.41 (#peak 429 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 429, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 173, 174,
&end
#
# 12 SER QB 43 ASN HB3 4.76 (#peak 430 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 430, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 173, 174,
&end
#
# 12 SER QB 43 ASN HD21 6.16 (#peak 433 #SUP 0.67 #QF 0.67;)
&rst
ixpk= 433, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 173, 174,
&end
#
# 12 SER H 12 SER QB 3.21 (#peak 434 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 434, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 173, 174,
&end
#
# 7 SER QB 8 ILE H 3.90 (#peak 436 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 436, nxpk= 0, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 87, 88,
&end
#
# 6 GLN H 7 SER QB 6.16 (#peak 437 #SUP 0.68 #QF 0.39;)
&rst
ixpk= 437, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2= 87, 88,
&end
#
# 7 SER QB 9 ARG H 6.16 (#peak 437 #SUP 0.68 #QF 0.39;)
&rst
ixpk= 437, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 87, 88,
&end
#
# 7 SER HA 7 SER QB 3.21 (#peak 439 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 439, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 87, 88,
&end
#
# 7 SER QB 8 ILE QD1 4.70 (#peak 443 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 443, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 87, 88,
igr2= 107, 108, 109,
&end
#
# 64 PRO HA 66 LYS HG3 5.75 (#peak 456 #SUP 0.52 #QF 0.52;)
&rst
ixpk= 456, nxpk= 0, iat=1025,1059, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 64 PRO HA 65 LYS QB 5.45 (#peak 461 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 461, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1033,1034,
&end
#
# 59 SER HB2 64 PRO HA 4.37 (#peak 463 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 463, nxpk= 0, iat= 934,1025, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 64 PRO HA 66 LYS H 4.82 (#peak 464 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 464, nxpk= 0, iat=1025,1051, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 63 LEU H 64 PRO HA 5.29 (#peak 465 #SUP 0.74 #QF 0.74;)
&rst
ixpk= 465, nxpk= 0, iat= 996,1025, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 68 CYZN HA 76 TRP HE1 5.33 (#peak 466 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 466, nxpk= 0, iat=1092,1213, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 55 ASN HD21 68 CYZN HA 4.68 (#peak 469 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 469, nxpk= 0, iat= 868,1092, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 55 ASN HD22 68 CYZN HA 5.22 (#peak 471 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 471, nxpk= 0, iat= 869,1092, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 68 CYZN HA 69 SER HA 4.94 (#peak 472 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 472, nxpk= 0, iat=1092,1102, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 69 SER HA 71 CYZN H 5.23 (#peak 478 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 478, nxpk= 0, iat=1102,1125, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 69 SER HA 72 GLY H 5.30 (#peak 479 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 479, nxpk= 0, iat=1102,1135, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 8 ILE HA 8 ILE QG2 3.43 (#peak 482 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 482, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 100, 101, 102,
&end
#
# 8 ILE HA 8 ILE HG13 4.33 (#peak 483 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 483, nxpk= 0, iat= 96, 105, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 8 ILE HA 8 ILE HG12 4.33 (#peak 484 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 484, nxpk= 0, iat= 96, 104, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 8 ILE HA 9 ARG HG2 5.36 (#peak 485 #SUP 0.71 #QF 0.71;)
&rst
ixpk= 485, nxpk= 0, iat= 96, 120, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 33 VAL HB 34 SER HA 4.94 (#peak 487 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 487, nxpk= 0, iat= 512, 526, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 67 HIS HA 67 HIS HD2 4.41 (#peak 498 #SUP 0.95 #QF 0.40;)
&rst
ixpk= 498, nxpk= 0, iat=1075,1086, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 51 CYZN HA 76 TRP HE3 5.01 (#peak 498 #SUP 0.95 #QF 0.40;)
&rst
ixpk= 498, nxpk= 0, iat= 819,1222, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 67 HIS HA 74 PHE QE 4.54 (#peak 500 #SUP 0.56 #QF 0.56;)
&rst
ixpk= 500, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1171,1175,
&end
#
# 67 HIS HA 76 TRP HD1 5.53 (#peak 501 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 501, nxpk= 0, iat=1075,1211, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 50 LYS HA 51 CYZN HA 5.20 (#peak 502 #SUP 1.00;)
&rst
ixpk= 502, nxpk= 0, iat= 797, 819, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 67 HIS HA 74 PHE HA 4.14 (#peak 503 #SUP 0.74 #QF 0.74;)
&rst
ixpk= 503, nxpk= 0, iat=1075,1163, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 51 CYZN HA 52 PRO HD3 3.44 (#peak 504 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 504, nxpk= 0, iat= 819, 830, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 51 CYZN HA 75 LYS HB2 6.08 (#peak 509 #SUP 0.99 #QF 0.90;)
&rst
ixpk= 509, nxpk= 0, iat= 819,1185, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 50 LYS QB 51 CYZN HA 6.03 (#peak 510 #SUP 0.96 #QF 0.69;)
&rst
ixpk= 510, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 799, 800,
&end
#
# 66 LYS QD 67 HIS HA 6.16 (#peak 510 #SUP 0.96 #QF 0.69;)
&rst
ixpk= 510, nxpk= 0, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=1061,1062,
&end
#
# 51 CYZN HA 75 LYS HB3 6.16 (#peak 512 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 512, nxpk= 0, iat= 819,1186, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 75 LYS H 76 TRP HA 5.42 (#peak 515 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 515, nxpk= 0, iat=1181,1205, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 50 LYS H 78 ARG HA 5.19 (#peak 521 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 521, nxpk= 0, iat= 795,1244, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 49 PHE HA 78 ARG HA 3.95 (#peak 525 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 525, nxpk= 0, iat= 777,1244, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 78 ARG HA 78 ARG QG 3.83 (#peak 528 #SUP 1.00;)
&rst
ixpk= 528, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1249,1250,
&end
#
# 29 LYS HA 29 LYS HG3 4.26 (#peak 530 #SUP 0.93 #QF 0.71;)
&rst
ixpk= 530, nxpk= 0, iat= 449, 455, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 49 PHE HA 49 PHE QE 5.88 (#peak 540 #SUP 1.00;)
&rst
ixpk= 540, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2= 785, 789,
&end
#
# 49 PHE HA 76 TRP HE3 6.16 (#peak 540 #SUP 1.00;)
&rst
ixpk= 540, nxpk= 0, iat= 777,1222, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 48 PHE HA 49 PHE HA 5.30 (#peak 542 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 542, nxpk= 0, iat= 757, 777, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 48 PHE QB 49 PHE HA 5.23 (#peak 545 #SUP 0.99 #QF 0.98;)
&rst
ixpk= 545, nxpk= 0, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 759, 760,
&end
#
# 49 PHE HA 50 LYS QB 4.56 (#peak 547 #SUP 1.00;)
&rst
ixpk= 547, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 799, 800,
&end
#
# 49 PHE HA 78 ARG QG 5.58 (#peak 548 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 548, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1249,1250,
&end
#
# 17 THR H 41 TRP HA 4.55 (#peak 555 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 555, nxpk= 0, iat= 247, 633, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 41 TRP HA 42 HIS HA 5.20 (#peak 558 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 558, nxpk= 0, iat= 633, 657, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 16 VAL HB 41 TRP HA 4.66 (#peak 561 #SUP 1.00;)
&rst
ixpk= 561, nxpk= 0, iat= 235, 633, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 16 VAL QG2 41 TRP HA 4.37 (#peak 562 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 562, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 241, 242, 243,
&end
#
# 23 TYR HA 23 TYR QD 4.17 (#peak 564 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 564, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 347, 356,
&end
#
# 23 TYR HA 24 THR HB 5.41 (#peak 566 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 566, nxpk= 0, iat= 341, 364, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 17 THR QG2 23 TYR HA 5.24 (#peak 569 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 569, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 253, 254, 255,
&end
#
# 14 ARG HA 14 ARG QG 3.49 (#peak 570 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 570, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 198, 199,
&end
#
# 14 ARG HA 15 VAL QG2 4.23 (#peak 573 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 573, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 225, 226, 227,
&end
#
# 60 LEU HA 60 LEU QD2 4.50 (#peak 576 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 576, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 954, 955, 956,
&end
#
# 60 LEU HA 60 LEU HG 4.27 (#peak 577 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 577, nxpk= 0, iat= 943, 948, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 42 HIS HA 42 HIS QB 3.27 (#peak 582 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 582, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 659, 660,
&end
#
# 41 TRP QB 42 HIS HA 5.35 (#peak 583 #SUP 0.95 #QF 0.23;)
&rst
ixpk= 583, nxpk= 0, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 635, 636,
&end
#
# 14 ARG QG 42 HIS HA 5.12 (#peak 584 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 584, nxpk= 0, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 198, 199,
&end
#
# 15 VAL QG2 42 HIS HA 5.42 (#peak 585 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 585, nxpk= 0, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 225, 226, 227,
&end
#
# 76 TRP HA 77 GLU HA 5.19 (#peak 588 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 588, nxpk= 0, iat=1205,1229, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 77 GLU HA 78 ARG HA 5.07 (#peak 589 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 589, nxpk= 0, iat=1229,1244, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 36 ASN HA 39 PHE QE 6.08 (#peak 598 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 598, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr2= 604, 608,
&end
#
# 36 ASN HA 37 HIZ+ HD2 6.01 (#peak 599 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 599, nxpk= 0, iat= 552, 575, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 75 LYS HA 75 LYS QD 3.72 (#peak 605 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 605, nxpk= 0, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1191,1192,
&end
#
# 75 LYS HA 75 LYS HG2 3.80 (#peak 606 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 606, nxpk= 0, iat=1183,1188, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 75 LYS HA 75 LYS HG3 4.42 (#peak 608 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 608, nxpk= 0, iat=1183,1189, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 52 PRO HD2 75 LYS HG3 6.16 (#peak 619 #SUP 0.71 #QF 0.46;)
&rst
ixpk= 619, nxpk= 0, iat= 829,1189, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 52 PRO HD2 75 LYS HG2 6.16 (#peak 619 #SUP 0.71 #QF 0.46;)
&rst
ixpk= 619, nxpk= 0, iat= 829,1188, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 52 PRO HD3 75 LYS HB3 4.39 (#peak 621 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 621, nxpk= 0, iat= 830,1186, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 52 PRO HD3 75 LYS H 5.90 (#peak 624 #SUP 0.96 #QF 0.90;)
&rst
ixpk= 624, nxpk= 0, iat= 830,1181, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 52 PRO HD2 53 CYZN H 4.83 (#peak 625 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 625, nxpk= 0, iat= 829, 842, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 51 CYZN H 52 PRO HD3 5.81 (#peak 626 #SUP 0.74 #QF 0.74;)
&rst
ixpk= 626, nxpk= 0, iat= 817, 830, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 63 LEU HA 63 LEU HG 4.38 (#peak 628 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 628, nxpk= 0, iat= 998,1003, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 63 LEU HA 64 PRO HD3 3.58 (#peak 630 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 630, nxpk= 0, iat= 998,1017, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 63 LEU HA 64 PRO HD2 3.76 (#peak 631 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 631, nxpk= 0, iat= 998,1016, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 63 LEU HA 76 TRP HB3 6.16 (#peak 632 #SUP 0.95 #QF 0.72;)
&rst
ixpk= 632, nxpk= 0, iat= 998,1208, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 38 ASP HA 39 PHE H 3.02 (#peak 636 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 636, nxpk= 0, iat= 584, 594, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 38 ASP HA 39 PHE QD 5.29 (#peak 637 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 637, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 602, 610,
&end
#
# 38 ASP HA 39 PHE HA 5.16 (#peak 638 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 638, nxpk= 0, iat= 584, 596, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 66 LYS HA 66 LYS QD 5.32 (#peak 644 #SUP 0.92 #QF 0.24;)
&rst
ixpk= 644, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1061,1062,
&end
#
# 66 LYS HA 66 LYS HG3 4.11 (#peak 645 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 645, nxpk= 0, iat=1053,1059, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 65 LYS QE 66 LYS HA 4.64 (#peak 646 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 646, nxpk= 0, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1042,1043,
&end
#
# 65 LYS HA 66 LYS HA 5.50 (#peak 647 #SUP 0.64 #QF 0.64;)
&rst
ixpk= 647, nxpk= 0, iat=1031,1053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 LYS HA 50 LYS HG3 4.41 (#peak 652 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 652, nxpk= 0, iat= 797, 803, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 50 LYS HA 50 LYS HG2 4.35 (#peak 653 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 653, nxpk= 0, iat= 797, 802, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 50 LYS HA 56 ARG HB3 5.02 (#peak 655 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 655, nxpk= 0, iat= 797, 878, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 49 PHE HB3 50 LYS HA 5.68 (#peak 657 #SUP 0.99 #QF 0.85;)
&rst
ixpk= 657, nxpk= 0, iat= 780, 797, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 55 ASN HA 56 ARG HA 5.50 (#peak 671 #SUP 1.00 #QF 0.96;)
&rst
ixpk= 671, nxpk= 0, iat= 861, 875, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 ARG HA 57 THR HA 5.92 (#peak 671 #SUP 1.00 #QF 0.96;)
&rst
ixpk= 671, nxpk= 0, iat= 875, 899, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 56 ARG HA 56 ARG HG2 3.79 (#peak 674 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 674, nxpk= 0, iat= 875, 880, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 50 LYS HG2 56 ARG HA 6.16 (#peak 675 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 675, nxpk= 0, iat= 802, 875, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 56 ARG HA 56 ARG HG3 4.44 (#peak 676 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 676, nxpk= 0, iat= 875, 881, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 16 VAL QG2 39 PHE HA 4.51 (#peak 678 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 678, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 241, 242, 243,
&end
#
# 18 CYZN HA 39 PHE HA 3.67 (#peak 682 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 682, nxpk= 0, iat= 263, 596, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 67 HIS HB2 72 GLY HA3 6.06 (#peak 704 #SUP 0.98 #QF 0.30;)
&rst
ixpk= 704, nxpk= 0, iat=1077,1138, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 9 ARG HB3 80 GLY HA3 5.56 (#peak 719 #SUP 0.98 #QF 0.93;)
&rst
ixpk= 719, nxpk= 0, iat= 118,1285, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 9 ARG HB3 80 GLY HA2 5.56 (#peak 720 #SUP 0.98 #QF 0.96;)
&rst
ixpk= 720, nxpk= 0, iat= 118,1284, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 9 ARG HG3 80 GLY HA3 5.06 (#peak 722 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 722, nxpk= 0, iat= 121,1285, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 80 GLY HA3 82 LEU QQD 6.16 (#peak 723 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 723, nxpk= 0, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 80 GLY HA2 82 LEU QQD 6.16 (#peak 724 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 724, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 15 VAL QG1 44 GLY HA2 5.64 (#peak 728 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 728, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 221, 222, 223,
&end
#
# 44 GLY HA2 45 VAL HB 5.41 (#peak 730 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 730, nxpk= 0, iat= 688, 697, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 44 GLY HA3 45 VAL HB 5.61 (#peak 734 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 734, nxpk= 0, iat= 689, 697, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 43 ASN HB3 44 GLY HA2 5.51 (#peak 735 #SUP 0.76 #QF 0.76;)
&rst
ixpk= 735, nxpk= 0, iat= 677, 688, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 44 GLY HA2 45 VAL H 3.64 (#peak 741 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 741, nxpk= 0, iat= 688, 693, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 49 PHE HB2 64 PRO HG2 6.16 (#peak 752 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 752, nxpk= 0, iat= 779,1019, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 49 PHE HB2 64 PRO HG3 5.56 (#peak 753 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 753, nxpk= 0, iat= 779,1020, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 49 PHE HB3 64 PRO HG3 6.04 (#peak 754 #SUP 0.72 #QF 0.72;)
&rst
ixpk= 754, nxpk= 0, iat= 780,1020, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 49 PHE HB2 50 LYS QB 6.05 (#peak 756 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 756, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 799, 800,
&end
#
# 49 PHE HB3 50 LYS QB 5.35 (#peak 757 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 757, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 799, 800,
&end
#
# 49 PHE HB2 76 TRP HB2 5.52 (#peak 759 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 759, nxpk= 0, iat= 779,1207, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 49 PHE HB3 78 ARG HA 5.12 (#peak 761 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 761, nxpk= 0, iat= 780,1244, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 49 PHE HB2 78 ARG HA 5.96 (#peak 762 #SUP 0.56 #QF 0.56;)
&rst
ixpk= 762, nxpk= 0, iat= 779,1244, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 49 PHE HB2 77 GLU H 5.56 (#peak 775 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 775, nxpk= 0, iat= 779,1227, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 81 MET HA 82 LEU QB 5.20 (#peak 791 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 791, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1310,1311,
&end
#
# 48 PHE QD 82 LEU QB 6.16 (#peak 792 #SUP 0.91 #QF 0.69;)
&rst
ixpk= 792, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 763, 771,
igr2=1310,1311,
&end
#
# 48 PHE QE 82 LEU QB 6.16 (#peak 792 #SUP 0.91 #QF 0.69;)
&rst
ixpk= 792, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 765, 769,
igr2=1310,1311,
&end
#
# 82 LEU QB 82 LEU QQD 3.17 (#peak 795 #SUP 1.00;)
&rst
ixpk= 795, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1310,1311,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 59 SER HA 60 LEU HB2 5.22 (#peak 803 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 803, nxpk= 0, iat= 932, 945, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 49 PHE H 58 ILE HB 6.16 (#peak 810 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 810, nxpk= 0, iat= 775, 915, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 47 ARG H 58 ILE HB 6.16 (#peak 811 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 811, nxpk= 0, iat= 731, 915, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 48 PHE QD 58 ILE HB 5.19 (#peak 812 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 812, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 763, 771,
&end
#
# 57 THR HA 58 ILE HB 5.87 (#peak 815 #SUP 1.00 #QF 0.95;)
&rst
ixpk= 815, nxpk= 0, iat= 899, 915, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 58 ILE HB 59 SER HA 6.16 (#peak 815 #SUP 1.00 #QF 0.95;)
&rst
ixpk= 815, nxpk= 0, iat= 915, 932, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 8 ILE HB 8 ILE QD1 3.76 (#peak 821 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 821, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 107, 108, 109,
&end
#
# 7 SER HA 8 ILE HB 5.73 (#peak 823 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 823, nxpk= 0, iat= 85, 98, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 8 ILE HB 10 GLU H 4.54 (#peak 826 #SUP 0.97 #QF 0.95;)
&rst
ixpk= 826, nxpk= 0, iat= 98, 137, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 50 LYS QB 76 TRP HE3 5.68 (#peak 839 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 839, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 799, 800,
&end
#
# 50 LYS QB 57 THR H 5.40 (#peak 842 #SUP 0.61 #QF 0.61;)
&rst
ixpk= 842, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 799, 800,
&end
#
# 50 LYS QB 50 LYS QE 4.18 (#peak 846 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 846, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 799, 800,
igr2= 808, 809,
&end
#
# 50 LYS QB 56 ARG HB3 5.23 (#peak 847 #SUP 1.00 #QF 0.94;)
&rst
ixpk= 847, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 799, 800,
&end
#
# 50 LYS QB 79 VAL HB 5.53 (#peak 847 #SUP 1.00 #QF 0.94;)
&rst
ixpk= 847, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 799, 800,
&end
#
# 50 LYS QB 50 LYS HG3 3.36 (#peak 848 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 848, nxpk= 0, iat= -1, 803, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 799, 800,
&end
#
# 36 ASN H 36 ASN HB3 4.55 (#peak 857 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 857, nxpk= 0, iat= 550, 555, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 30 GLU HA 30 GLU QG 3.52 (#peak 864 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 864, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 476, 477,
&end
#
# 30 GLU QB 30 GLU QG 3.05 (#peak 865 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 865, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 473, 474,
igr2= 476, 477,
&end
#
# 30 GLU QG 31 THR H 5.19 (#peak 874 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 874, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 476, 477,
&end
#
# 35 GLU HA 35 GLU HG3 4.17 (#peak 884 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 884, nxpk= 0, iat= 537, 543, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 82 LEU QQD 84 GLU QG 5.63 (#peak 887 #SUP 0.53 #QF 0.53;)
&rst
ixpk= 887, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02,
igr1=1315,1316,1317,1319,1320,1321,
igr2=1354,1355,
&end
#
# 66 LYS HB2 66 LYS QD 4.48 (#peak 895 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 895, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1061,1062,
&end
#
# 66 LYS HB2 66 LYS QE 5.14 (#peak 896 #SUP 1.00 #QF 0.48;)
&rst
ixpk= 896, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1064,1065,
&end
#
# 65 LYS QE 66 LYS HB3 5.66 (#peak 897 #SUP 1.00 #QF 0.94;)
&rst
ixpk= 897, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1042,1043,
&end
#
# 66 LYS HB3 66 LYS QE 6.16 (#peak 897 #SUP 1.00 #QF 0.94;)
&rst
ixpk= 897, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=1064,1065,
&end
#
# 46 LYS HB3 58 ILE QG2 4.39 (#peak 910 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 910, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 917, 918, 919,
&end
#
# 46 LYS HB2 58 ILE QG2 4.69 (#peak 914 #SUP 0.95 #QF 0.93;)
&rst
ixpk= 914, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 917, 918, 919,
&end
#
# 16 VAL QG1 39 PHE HB3 5.51 (#peak 918 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 918, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 237, 238, 239,
&end
#
# 17 THR QG2 39 PHE HB2 6.12 (#peak 919 #SUP 0.73 #QF 0.73;)
&rst
ixpk= 919, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 253, 254, 255,
&end
#
# 18 CYZN HA 39 PHE HB2 4.35 (#peak 920 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 920, nxpk= 0, iat= 263, 598, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 19 LYS H 39 PHE HB2 6.05 (#peak 930 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 930, nxpk= 0, iat= 271, 598, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 23 TYR HB3 24 THR H 4.49 (#peak 935 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 935, nxpk= 0, iat= 344, 360, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 47 ARG HA 48 PHE QB 5.34 (#peak 940 #SUP 0.54 #QF 0.54;)
&rst
ixpk= 940, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 759, 760,
&end
#
# 51 CYZN HB3 52 PRO HD3 5.60 (#peak 946 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 946, nxpk= 0, iat= 822, 830, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 18 CYZN HB3 21 CYZN HB3 4.65 (#peak 948 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 948, nxpk= 0, iat= 265, 311, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 18 CYZN HB2 21 CYZN HB3 5.76 (#peak 949 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 949, nxpk= 0, iat= 266, 311, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 21 CYZN HB3 23 TYR H 5.50 (#peak 950 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 950, nxpk= 0, iat= 311, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 CYZN H 21 CYZN HB3 4.27 (#peak 955 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 955, nxpk= 0, iat= 307, 311, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 51 CYZN HB3 55 ASN HB3 4.77 (#peak 958 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 958, nxpk= 0, iat= 822, 864, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 51 CYZN HB2 52 PRO HD3 5.40 (#peak 959 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 959, nxpk= 0, iat= 821, 830, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 50 LYS QB 51 CYZN HB3 6.16 (#peak 960 #SUP 0.51 #QF 0.29;)
&rst
ixpk= 960, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 799, 800,
&end
#
# 51 CYZN HB3 56 ARG HG2 6.16 (#peak 960 #SUP 0.51 #QF 0.29;)
&rst
ixpk= 960, nxpk= 0, iat= 822, 880, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 51 CYZN HB3 55 ASN HA 5.30 (#peak 964 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 964, nxpk= 0, iat= 822, 861, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 51 CYZN HB3 52 PRO HD2 5.44 (#peak 966 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 966, nxpk= 0, iat= 822, 829, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 51 CYZN HB2 55 ASN HA 6.16 (#peak 967 #SUP 0.45 #QF 0.45;)
&rst
ixpk= 967, nxpk= 0, iat= 821, 861, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 50 LYS HA 51 CYZN HB3 5.34 (#peak 970 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 970, nxpk= 0, iat= 797, 822, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 51 CYZN HB3 76 TRP HZ2 6.16 (#peak 973 #SUP 0.31 #QF 0.31;)
&rst
ixpk= 973, nxpk= 0, iat= 822,1216, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 51 CYZN HB3 55 ASN H 4.55 (#peak 975 #SUP 1.00;)
&rst
ixpk= 975, nxpk= 0, iat= 822, 859, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 11 GLN H 11 GLN QB 4.38 (#peak 982 #SUP 1.00;)
&rst
ixpk= 982, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 156, 157,
&end
#
# 19 LYS H 19 LYS HB3 4.22 (#peak 983 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 983, nxpk= 0, iat= 271, 276, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 19 LYS HB3 20 THR H 4.84 (#peak 985 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 985, nxpk= 0, iat= 276, 293, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 19 LYS HB2 20 THR H 4.94 (#peak 986 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 986, nxpk= 0, iat= 275, 293, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 19 LYS HB2 38 ASP HB2 4.73 (#peak 989 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 989, nxpk= 0, iat= 275, 586, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 46 LYS HB2 48 PHE QD 5.82 (#peak 1009 #SUP 0.97 #QF 0.71;)
&rst
ixpk= 1009, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 763, 771,
&end
#
# 46 LYS HB2 48 PHE QE 6.06 (#peak 1009 #SUP 0.97 #QF 0.71;)
&rst
ixpk= 1009, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2= 765, 769,
&end
#
# 46 LYS HB3 48 PHE QE 5.58 (#peak 1010 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 1010, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 765, 769,
&end
#
# 46 LYS HB3 47 ARG H 5.00 (#peak 1012 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1012, nxpk= 0, iat= 714, 731, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 THR QG2 37 HIZ+ HB3 4.97 (#peak 1016 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1016, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 299, 300, 301,
&end
#
# 20 THR QG2 37 HIZ+ HB2 5.86 (#peak 1017 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1017, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 299, 300, 301,
&end
#
# 32 CYZN HA 37 HIZ+ HB2 5.10 (#peak 1018 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1018, nxpk= 0, iat= 500, 568, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 37 HIZ+ HB2 39 PHE HZ 5.72 (#peak 1029 #SUP 0.99 #QF 0.63;)
&rst
ixpk= 1029, nxpk= 0, iat= 568, 606, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 11 GLN QG 48 PHE HZ 4.44 (#peak 1035 #SUP 0.97 #QF 0.73;)
&rst
ixpk= 1035, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 159, 160,
&end
#
# 11 GLN QG 12 SER QB 6.16 (#peak 1038 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 1038, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 159, 160,
igr2= 173, 174,
&end
#
# 11 GLN QG 46 LYS QD 4.85 (#peak 1041 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1041, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 159, 160,
igr2= 719, 720,
&end
#
# 11 GLN QG 45 VAL QG2 6.16 (#peak 1043 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 1043, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 159, 160,
igr2= 703, 704, 705,
&end
#
# 79 VAL HB 80 GLY HA2 5.23 (#peak 1052 #SUP 1.00;)
&rst
ixpk= 1052, nxpk= 0, iat=1270,1284, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 79 VAL HB 80 GLY HA3 5.23 (#peak 1053 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1053, nxpk= 0, iat=1270,1285, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 56 ARG HB3 57 THR HA 5.20 (#peak 1054 #SUP 1.00;)
&rst
ixpk= 1054, nxpk= 0, iat= 878, 899, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 48 PHE QB 79 VAL HB 5.30 (#peak 1056 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1056, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 759, 760,
&end
#
# 23 TYR QE 25 HIS HB3 4.35 (#peak 1061 #SUP 0.70 #QF 0.70;)
&rst
ixpk= 1061, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 349, 354,
&end
#
# 23 TYR QE 25 HIS HB2 4.08 (#peak 1062 #SUP 0.99 #QF 0.98;)
&rst
ixpk= 1062, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 349, 354,
&end
#
# 20 THR H 37 HIZ+ HA 6.16 (#peak 1080 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1080, nxpk= 0, iat= 293, 566, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 37 HIZ+ HA 38 ASP HB2 4.92 (#peak 1083 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1083, nxpk= 0, iat= 566, 586, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 20 THR QG2 37 HIZ+ HA 4.56 (#peak 1084 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1084, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 299, 300, 301,
&end
#
# 81 MET HA 82 LEU QQD 5.22 (#peak 1092 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1092, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 81 MET HA 82 LEU HA 5.03 (#peak 1093 #SUP 0.62 #QF 0.62;)
&rst
ixpk= 1093, nxpk= 0, iat=1291,1308, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 47 ARG HA 48 PHE QD 4.95 (#peak 1097 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1097, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 763, 771,
&end
#
# 10 GLU HA 47 ARG HA 5.34 (#peak 1099 #SUP 0.60 #QF 0.60;)
&rst
ixpk= 1099, nxpk= 0, iat= 139, 733, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 47 ARG HA 47 ARG HD3 5.33 (#peak 1102 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1102, nxpk= 0, iat= 733, 742, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 47 ARG QG 59 SER HA 6.16 (#peak 1105 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 1105, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 738, 739,
&end
#
# 46 LYS HA 47 ARG QG 4.91 (#peak 1106 #SUP 1.00 #QF 0.79;)
&rst
ixpk= 1106, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 738, 739,
&end
#
# 47 ARG QG 48 PHE H 5.48 (#peak 1107 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1107, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 738, 739,
&end
#
# 78 ARG HB2 78 ARG HD2 4.14 (#peak 1112 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1112, nxpk= 0, iat=1246,1252, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 78 ARG HB2 78 ARG HD3 4.14 (#peak 1113 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1113, nxpk= 0, iat=1246,1253, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 78 ARG HA 78 ARG HD2 4.75 (#peak 1114 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1114, nxpk= 0, iat=1244,1252, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 49 PHE QE 78 ARG HD2 4.82 (#peak 1121 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 1121, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 785, 789,
&end
#
# 49 PHE QE 78 ARG HD3 4.82 (#peak 1122 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 1122, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 785, 789,
&end
#
# 27 LYS HA 28 PRO HD2 3.55 (#peak 1128 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1128, nxpk= 0, iat= 413, 434, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 27 LYS HA 28 PRO HD3 3.49 (#peak 1129 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1129, nxpk= 0, iat= 413, 435, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 15 VAL QG1 60 LEU HB3 4.88 (#peak 1137 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1137, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 221, 222, 223,
&end
#
# 46 LYS HB2 60 LEU QD1 5.60 (#peak 1138 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1138, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 950, 951, 952,
&end
#
# 60 LEU HB3 60 LEU QD1 3.64 (#peak 1139 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1139, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 950, 951, 952,
&end
#
# 13 CYS HB3 15 VAL QG1 5.66 (#peak 1142 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 1142, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2= 221, 222, 223,
&end
#
# 60 LEU HA 60 LEU QD1 4.50 (#peak 1148 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1148, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 950, 951, 952,
&end
#
# 15 VAL HA 15 VAL QG1 3.44 (#peak 1149 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1149, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 221, 222, 223,
&end
#
# 15 VAL HA 60 LEU QD1 6.16 (#peak 1150 #SUP 0.98 #QF 0.96;)
&rst
ixpk= 1150, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr2= 950, 951, 952,
&end
#
# 59 SER HA 60 LEU QD1 6.16 (#peak 1150 #SUP 0.98 #QF 0.96;)
&rst
ixpk= 1150, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr2= 950, 951, 952,
&end
#
# 15 VAL QG1 26 PHE HA 3.84 (#peak 1152 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1152, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 221, 222, 223,
&end
#
# 60 LEU QD1 61 ASP H 5.81 (#peak 1162 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1162, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 950, 951, 952,
&end
#
# 60 LEU HB3 60 LEU QD2 3.64 (#peak 1168 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1168, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 954, 955, 956,
&end
#
# 15 VAL HA 60 LEU QD2 6.16 (#peak 1173 #SUP 0.98 #QF 0.94;)
&rst
ixpk= 1173, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr2= 954, 955, 956,
&end
#
# 59 SER HA 60 LEU QD2 6.16 (#peak 1173 #SUP 0.98 #QF 0.94;)
&rst
ixpk= 1173, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr2= 954, 955, 956,
&end
#
# 47 ARG HB3 62 ARG HA 5.50 (#peak 1187 #SUP 0.99 #QF 0.45;)
&rst
ixpk= 1187, nxpk= 0, iat= 736, 974, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ARG HA 63 LEU QB 5.98 (#peak 1187 #SUP 0.99 #QF 0.45;)
&rst
ixpk= 1187, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2=1000,1001,
&end
#
# 35 GLU H 35 GLU HB3 4.18 (#peak 1193 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1193, nxpk= 0, iat= 535, 540, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 30 GLU H 30 GLU QB 3.52 (#peak 1213 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1213, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 473, 474,
&end
#
# 30 GLU QB 34 SER H 6.10 (#peak 1214 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1214, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 473, 474,
&end
#
# 30 GLU QB 31 THR H 4.18 (#peak 1215 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1215, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 473, 474,
&end
#
# 30 GLU QB 32 CYZN H 5.56 (#peak 1216 #SUP 0.66 #QF 0.66;)
&rst
ixpk= 1216, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 473, 474,
&end
#
# 18 CYZN HB2 21 CYZN HB2 4.79 (#peak 1226 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 1226, nxpk= 0, iat= 266, 312, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 18 CYZN HB2 39 PHE HB3 4.95 (#peak 1226 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 1226, nxpk= 0, iat= 266, 599, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 18 CYZN HB3 21 CYZN HB2 4.30 (#peak 1227 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1227, nxpk= 0, iat= 265, 312, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 18 CYZN HB3 21 CYZN HA 5.60 (#peak 1231 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1231, nxpk= 0, iat= 265, 309, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 17 THR HA 18 CYZN HB2 5.49 (#peak 1235 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1235, nxpk= 0, iat= 249, 266, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 17 THR HA 18 CYZN HB3 5.32 (#peak 1236 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1236, nxpk= 0, iat= 249, 265, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 18 CYZN HB2 20 THR H 5.64 (#peak 1242 #SUP 0.98 #QF 0.95;)
&rst
ixpk= 1242, nxpk= 0, iat= 266, 293, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 18 CYZN HB3 19 LYS H 5.49 (#peak 1248 #SUP 1.00;)
&rst
ixpk= 1248, nxpk= 0, iat= 265, 271, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 18 CYZN HA 39 PHE QE 5.66 (#peak 1255 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1255, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 604, 608,
&end
#
# 18 CYZN HA 19 LYS HA 5.04 (#peak 1256 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 1256, nxpk= 0, iat= 263, 273, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 18 CYZN HA 39 PHE HB3 3.98 (#peak 1257 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 1257, nxpk= 0, iat= 263, 599, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 18 CYZN HA 19 LYS HB2 5.49 (#peak 1260 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1260, nxpk= 0, iat= 263, 275, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 18 CYZN HA 19 LYS HG2 5.22 (#peak 1261 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1261, nxpk= 0, iat= 263, 278, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 17 THR QG2 18 CYZN HA 5.35 (#peak 1262 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1262, nxpk= 0, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 253, 254, 255,
&end
#
# 71 CYZN HA 71 CYZN HB3 3.33 (#peak 1264 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1264, nxpk= 0, iat=1127,1129, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 71 CYZN HA 71 CYZN HB2 3.25 (#peak 1265 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1265, nxpk= 0, iat=1127,1130, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 68 CYZN HB3 71 CYZN HA 6.16 (#peak 1266 #SUP 0.94 #QF 0.46;)
&rst
ixpk= 1266, nxpk= 0, iat=1094,1127, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 70 THR HB 71 CYZN HA 5.49 (#peak 1270 #SUP 1.00;)
&rst
ixpk= 1270, nxpk= 0, iat=1115,1127, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 71 CYZN HA 72 GLY HA3 5.08 (#peak 1271 #SUP 0.68 #QF 0.68;)
&rst
ixpk= 1271, nxpk= 0, iat=1127,1138, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 12 SER HA 44 GLY H 5.64 (#peak 1276 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1276, nxpk= 0, iat= 171, 686, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 12 SER HA 45 VAL HA 3.56 (#peak 1277 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 1277, nxpk= 0, iat= 171, 695, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 12 SER HA 45 VAL HB 5.62 (#peak 1279 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1279, nxpk= 0, iat= 171, 697, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 12 SER HA 45 VAL QG1 4.86 (#peak 1280 #SUP 0.64 #QF 0.64;)
&rst
ixpk= 1280, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 699, 700, 701,
&end
#
# 58 ILE HA 59 SER HB2 5.31 (#peak 1286 #SUP 0.74 #QF 0.74;)
&rst
ixpk= 1286, nxpk= 0, iat= 913, 934, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 48 PHE QB 58 ILE HA 5.24 (#peak 1287 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1287, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 759, 760,
&end
#
# 48 PHE HA 58 ILE HA 3.93 (#peak 1289 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1289, nxpk= 0, iat= 757, 913, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 57 THR HA 58 ILE HA 5.70 (#peak 1290 #SUP 1.00 #QF 0.66;)
&rst
ixpk= 1290, nxpk= 0, iat= 899, 913, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 58 ILE HA 59 SER HA 6.08 (#peak 1290 #SUP 1.00 #QF 0.66;)
&rst
ixpk= 1290, nxpk= 0, iat= 913, 932, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 47 ARG H 58 ILE HA 5.38 (#peak 1293 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1293, nxpk= 0, iat= 731, 913, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 48 PHE QD 58 ILE HA 5.02 (#peak 1295 #SUP 0.99 #QF 0.96;)
&rst
ixpk= 1295, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 763, 771,
&end
#
# 48 PHE HA 48 PHE QD 4.09 (#peak 1298 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1298, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 763, 771,
&end
#
# 48 PHE HA 49 PHE HB2 5.38 (#peak 1302 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 1302, nxpk= 0, iat= 757, 779, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 48 PHE HA 58 ILE HB 5.43 (#peak 1303 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1303, nxpk= 0, iat= 757, 915, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 48 PHE HA 58 ILE QG2 4.36 (#peak 1306 #SUP 1.00 #QF 0.98;)
&rst
ixpk= 1306, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 917, 918, 919,
&end
#
# 14 ARG QG 43 ASN HA 4.93 (#peak 1307 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1307, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 198, 199,
&end
#
# 15 VAL QG1 43 ASN HA 5.13 (#peak 1309 #SUP 1.00;)
&rst
ixpk= 1309, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 221, 222, 223,
&end
#
# 14 ARG HA 43 ASN HA 3.67 (#peak 1311 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1311, nxpk= 0, iat= 193, 674, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 15 VAL HA 43 ASN HA 6.16 (#peak 1312 #SUP 0.65 #QF 0.65;)
&rst
ixpk= 1312, nxpk= 0, iat= 217, 674, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 43 ASN HA 44 GLY HA2 5.21 (#peak 1313 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1313, nxpk= 0, iat= 674, 688, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 43 ASN HA 44 GLY HA3 4.92 (#peak 1314 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1314, nxpk= 0, iat= 674, 689, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 15 VAL H 43 ASN HA 4.35 (#peak 1317 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 1317, nxpk= 0, iat= 215, 674, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 40 HIS HA 41 TRP HD1 5.19 (#peak 1321 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1321, nxpk= 0, iat= 616, 639, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 39 PHE HB3 40 HIS HA 6.06 (#peak 1326 #SUP 0.43 #QF 0.43;)
&rst
ixpk= 1326, nxpk= 0, iat= 599, 616, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 17 THR HA 23 TYR QD 5.36 (#peak 1337 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1337, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 347, 356,
&end
#
# 17 THR HA 17 THR QG2 3.67 (#peak 1343 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1343, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 253, 254, 255,
&end
#
# 18 CYZN H 24 THR HA 4.66 (#peak 1348 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1348, nxpk= 0, iat= 261, 362, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 24 THR HA 25 HIS HB2 5.45 (#peak 1353 #SUP 0.57 #QF 0.57;)
&rst
ixpk= 1353, nxpk= 0, iat= 362, 378, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 16 VAL QG1 24 THR HA 5.13 (#peak 1355 #SUP 0.69 #QF 0.69;)
&rst
ixpk= 1355, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 237, 238, 239,
&end
#
# 27 LYS HG2 28 PRO HD2 5.64 (#peak 1365 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1365, nxpk= 0, iat= 418, 434, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 27 LYS HG3 27 LYS QE 4.56 (#peak 1368 #SUP 1.00;)
&rst
ixpk= 1368, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 424, 425,
&end
#
# 27 LYS HG2 27 LYS QE 4.56 (#peak 1369 #SUP 1.00;)
&rst
ixpk= 1369, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 424, 425,
&end
#
# 65 LYS HG2 65 LYS QE 4.50 (#peak 1376 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1376, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1042,1043,
&end
#
# 65 LYS HG3 65 LYS QE 4.50 (#peak 1377 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1377, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1042,1043,
&end
#
# 19 LYS HG2 20 THR H 5.22 (#peak 1384 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 1384, nxpk= 0, iat= 278, 293, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 19 LYS HG2 19 LYS QE 4.59 (#peak 1388 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1388, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 284, 285,
&end
#
# 19 LYS HG3 19 LYS QE 4.69 (#peak 1389 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1389, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 284, 285,
&end
#
# 75 LYS HB3 75 LYS QD 4.56 (#peak 1395 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1395, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1191,1192,
&end
#
# 75 LYS HB2 75 LYS QE 4.92 (#peak 1398 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1398, nxpk= 0, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1194,1195,
&end
#
# 75 LYS HB3 75 LYS QE 5.36 (#peak 1399 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1399, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1194,1195,
&end
#
# 81 MET H 81 MET HB3 4.41 (#peak 1406 #SUP 0.98 #QF 0.85;)
&rst
ixpk= 1406, nxpk= 0, iat=1289,1294, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 81 MET H 81 MET HB2 4.41 (#peak 1407 #SUP 0.96 #QF 0.95;)
&rst
ixpk= 1407, nxpk= 0, iat=1289,1293, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 48 PHE QD 81 MET HB2 6.04 (#peak 1411 #SUP 0.98 #QF 0.88;)
&rst
ixpk= 1411, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 763, 771,
&end
#
# 81 MET HB2 82 LEU QQD 5.43 (#peak 1415 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1415, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 81 MET HB3 82 LEU QQD 5.43 (#peak 1416 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1416, nxpk= 0, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 63 LEU QD2 76 TRP HB3 5.51 (#peak 1418 #SUP 0.74 #QF 0.34;)
&rst
ixpk= 1418, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1009,1010,1011,
&end
#
# 64 PRO HD3 76 TRP HB2 5.58 (#peak 1419 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1419, nxpk= 0, iat=1017,1207, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 49 PHE HB2 76 TRP HB3 4.45 (#peak 1424 #SUP 1.00 #QF 0.95;)
&rst
ixpk= 1424, nxpk= 0, iat= 779,1208, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 76 TRP HB3 76 TRP HE3 4.50 (#peak 1429 #SUP 1.00;)
&rst
ixpk= 1429, nxpk= 0, iat=1208,1222, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 CYZN H 71 CYZN HB2 4.39 (#peak 1437 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1437, nxpk= 0, iat=1125,1130, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 70 THR HB 71 CYZN HB2 6.16 (#peak 1443 #SUP 0.98 #QF 0.90;)
&rst
ixpk= 1443, nxpk= 0, iat=1115,1130, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 71 CYZN HB2 72 GLY HA2 6.16 (#peak 1443 #SUP 0.98 #QF 0.90;)
&rst
ixpk= 1443, nxpk= 0, iat=1130,1137, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 70 THR HB 71 CYZN HB3 5.04 (#peak 1444 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1444, nxpk= 0, iat=1115,1129, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 53 CYZN HB2 71 CYZN HB2 6.16 (#peak 1445 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1445, nxpk= 0, iat= 847,1130, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 53 CYZN HB3 71 CYZN HB2 6.16 (#peak 1446 #SUP 0.94 #QF 0.53;)
&rst
ixpk= 1446, nxpk= 0, iat= 846,1130, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 68 CYZN HB3 71 CYZN HB2 6.16 (#peak 1446 #SUP 0.94 #QF 0.53;)
&rst
ixpk= 1446, nxpk= 0, iat=1094,1130, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 71 CYZN HB2 73 LEU HG 5.45 (#peak 1449 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1449, nxpk= 0, iat=1130,1149, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 70 THR QG2 71 CYZN HB2 5.38 (#peak 1452 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1452, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1117,1118,1119,
&end
#
# 40 HIS HB2 41 TRP H 5.29 (#peak 1456 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1456, nxpk= 0, iat= 618, 631, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 19 LYS QD 40 HIS HB2 5.25 (#peak 1469 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1469, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 281, 282,
&end
#
# 19 LYS QD 40 HIS HB3 6.10 (#peak 1470 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1470, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 281, 282,
&end
#
# 17 THR QG2 40 HIS HB2 5.39 (#peak 1471 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1471, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 253, 254, 255,
&end
#
# 17 THR QG2 40 HIS HB3 5.87 (#peak 1472 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1472, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 253, 254, 255,
&end
#
# 33 VAL HB 35 GLU H 5.97 (#peak 1487 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1487, nxpk= 0, iat= 512, 535, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 76 TRP HA 77 GLU HB3 5.25 (#peak 1499 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1499, nxpk= 0, iat=1205,1232, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 49 PHE HB3 77 GLU HB3 5.76 (#peak 1500 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1500, nxpk= 0, iat= 780,1232, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 49 PHE HB3 77 GLU HB2 6.16 (#peak 1501 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 1501, nxpk= 0, iat= 780,1231, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 50 LYS QB 77 GLU HB3 4.82 (#peak 1503 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 1503, nxpk= 0, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 799, 800,
&end
#
# 50 LYS HG3 77 GLU HB3 6.16 (#peak 1504 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1504, nxpk= 0, iat= 803,1232, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 77 GLU HB3 79 VAL QG1 5.28 (#peak 1506 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1506, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1272,1273,1274,
&end
#
# 29 LYS HB2 29 LYS QD 4.26 (#peak 1509 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 1509, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 457, 458,
&end
#
# 29 LYS HB3 29 LYS QD 4.26 (#peak 1510 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 1510, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 457, 458,
&end
#
# 14 ARG HB3 14 ARG HD2 4.69 (#peak 1521 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 1521, nxpk= 0, iat= 196, 201, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 9 ARG HB2 82 LEU QQD 5.77 (#peak 1532 #SUP 0.41 #QF 0.41;)
&rst
ixpk= 1532, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 10 GLU HB2 45 VAL QG1 5.33 (#peak 1533 #SUP 1.00;)
&rst
ixpk= 1533, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 699, 700, 701,
&end
#
# 14 ARG HB2 41 TRP HE3 5.42 (#peak 1537 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1537, nxpk= 0, iat= 195, 650, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 14 ARG HB3 41 TRP HE3 4.59 (#peak 1538 #SUP 1.00;)
&rst
ixpk= 1538, nxpk= 0, iat= 196, 650, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 14 ARG HB3 41 TRP HZ3 5.36 (#peak 1541 #SUP 0.89 #QF 0.78;)
&rst
ixpk= 1541, nxpk= 0, iat= 196, 648, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 14 ARG HB3 43 ASN HA 5.88 (#peak 1543 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 1543, nxpk= 0, iat= 196, 674, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 14 ARG HB2 14 ARG HD2 4.72 (#peak 1546 #SUP 0.76 #QF 0.76;)
&rst
ixpk= 1546, nxpk= 0, iat= 195, 201, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 14 ARG HB3 14 ARG HD3 4.69 (#peak 1548 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1548, nxpk= 0, iat= 196, 202, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 14 ARG HB2 14 ARG HD3 4.72 (#peak 1549 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1549, nxpk= 0, iat= 195, 202, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 14 ARG HB3 14 ARG QG 2.95 (#peak 1550 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1550, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 198, 199,
&end
#
# 53 CYZN HB2 71 CYZN HB3 4.56 (#peak 1552 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1552, nxpk= 0, iat= 847,1129, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 53 CYZN HB3 70 THR QG2 5.29 (#peak 1554 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1554, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=1117,1118,1119,
&end
#
# 32 CYZN HB3 37 HIZ+ H 5.35 (#peak 1586 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 1586, nxpk= 0, iat= 502, 564, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 29 LYS H 32 CYZN HB3 5.62 (#peak 1587 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1587, nxpk= 0, iat= 447, 502, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 28 PRO HA 32 CYZN HB2 5.40 (#peak 1591 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 1591, nxpk= 0, iat= 443, 503, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 31 THR HA 32 CYZN HB2 6.16 (#peak 1592 #SUP 0.35 #QF 0.35;)
&rst
ixpk= 1592, nxpk= 0, iat= 486, 503, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 32 CYZN HB3 33 VAL HA 5.33 (#peak 1593 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 1593, nxpk= 0, iat= 502, 510, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 32 CYZN HB3 37 HIZ+ HB3 4.88 (#peak 1595 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 1595, nxpk= 0, iat= 502, 569, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 32 CYZN HB2 33 VAL HB 5.78 (#peak 1599 #SUP 1.00;)
&rst
ixpk= 1599, nxpk= 0, iat= 503, 512, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 28 PRO HB2 32 CYZN HB3 4.98 (#peak 1600 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1600, nxpk= 0, iat= 440, 502, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 28 PRO HB2 32 CYZN HB2 4.93 (#peak 1601 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1601, nxpk= 0, iat= 440, 503, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 28 PRO HB3 32 CYZN HB3 5.60 (#peak 1602 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 1602, nxpk= 0, iat= 441, 502, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 66 LYS HA 67 HIS HB2 5.66 (#peak 1609 #SUP 0.59 #QF 0.59;)
&rst
ixpk= 1609, nxpk= 0, iat=1053,1077, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 67 HIS HB3 72 GLY HA2 5.45 (#peak 1610 #SUP 0.94 #QF 0.87;)
&rst
ixpk= 1610, nxpk= 0, iat=1078,1137, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 67 HIS HB2 72 GLY HA2 5.15 (#peak 1611 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 1611, nxpk= 0, iat=1077,1137, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 67 HIS HB3 72 GLY HA3 5.68 (#peak 1613 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 1613, nxpk= 0, iat=1078,1138, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 67 HIS HB2 68 CYZN HB2 6.16 (#peak 1614 #SUP 0.64 #QF 0.64;)
&rst
ixpk= 1614, nxpk= 0, iat=1077,1095, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 63 LEU QD1 64 PRO HD2 4.22 (#peak 1617 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1617, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1005,1006,1007,
&end
#
# 63 LEU QD1 76 TRP HB2 4.70 (#peak 1619 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1619, nxpk= 0, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1005,1006,1007,
&end
#
# 63 LEU QD1 76 TRP HB3 5.51 (#peak 1620 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1620, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1005,1006,1007,
&end
#
# 63 LEU HA 63 LEU QD1 4.36 (#peak 1621 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1621, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1005,1006,1007,
&end
#
# 63 LEU QD1 76 TRP H 5.42 (#peak 1623 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 1623, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1005,1006,1007,
&end
#
# 63 LEU H 63 LEU QD1 6.04 (#peak 1625 #SUP 0.95 #QF 0.93;)
&rst
ixpk= 1625, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2=1005,1006,1007,
&end
#
# 63 LEU QB 63 LEU QD1 3.30 (#peak 1626 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1626, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=1000,1001,
igr2=1005,1006,1007,
&end
#
# 63 LEU QB 63 LEU QD2 3.30 (#peak 1629 #SUP 1.00;)
&rst
ixpk= 1629, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=1000,1001,
igr2=1009,1010,1011,
&end
#
# 63 LEU QD2 76 TRP HB2 4.70 (#peak 1631 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1631, nxpk= 0, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1009,1010,1011,
&end
#
# 63 LEU QD2 74 PHE HZ 5.39 (#peak 1637 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 1637, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1009,1010,1011,
&end
#
# 58 ILE HG12 59 SER H 5.88 (#peak 1652 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1652, nxpk= 0, iat= 921, 930, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 48 PHE QD 58 ILE HG12 4.41 (#peak 1655 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 1655, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 763, 771,
&end
#
# 27 LYS HA 28 PRO HG3 5.13 (#peak 1675 #SUP 1.00;)
&rst
ixpk= 1675, nxpk= 0, iat= 413, 438, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 27 LYS HA 28 PRO HG2 5.10 (#peak 1676 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1676, nxpk= 0, iat= 413, 437, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 73 LEU HA 73 LEU HG 4.44 (#peak 1680 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1680, nxpk= 0, iat=1144,1149, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 68 CYZN HB3 73 LEU HG 5.48 (#peak 1681 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1681, nxpk= 0, iat=1094,1149, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 24 THR QG2 60 LEU HG 5.26 (#peak 1687 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 1687, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 366, 367, 368,
&end
#
# 25 HIS HA 60 LEU HG 4.73 (#peak 1688 #SUP 0.99 #QF 0.70;)
&rst
ixpk= 1688, nxpk= 0, iat= 376, 948, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 59 SER HA 60 LEU HG 5.23 (#peak 1689 #SUP 0.52 #QF 0.52;)
&rst
ixpk= 1689, nxpk= 0, iat= 932, 948, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 16 VAL H 60 LEU HG 6.16 (#peak 1692 #SUP 0.78 #QF 0.43;)
&rst
ixpk= 1692, nxpk= 0, iat= 231, 948, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 14 ARG H 14 ARG QG 4.70 (#peak 1693 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1693, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 198, 199,
&end
#
# 14 ARG QG 15 VAL QG1 5.64 (#peak 1704 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1704, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1= 198, 199,
igr2= 221, 222, 223,
&end
#
# 52 PRO HD3 75 LYS HB2 4.09 (#peak 1706 #SUP 1.00;)
&rst
ixpk= 1706, nxpk= 0, iat= 830,1185, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 52 PRO HD2 75 LYS HB2 4.12 (#peak 1707 #SUP 1.00;)
&rst
ixpk= 1707, nxpk= 0, iat= 829,1185, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 51 CYZN HA 52 PRO HG3 5.12 (#peak 1710 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1710, nxpk= 0, iat= 819, 833, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 52 PRO HG3 75 LYS QE 5.89 (#peak 1716 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 1716, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1194,1195,
&end
#
# 52 PRO HG2 75 LYS HB3 6.16 (#peak 1719 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1719, nxpk= 0, iat= 832,1186, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 52 PRO HG3 75 LYS HB3 4.73 (#peak 1720 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1720, nxpk= 0, iat= 833,1186, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 50 LYS HA 56 ARG HG3 5.69 (#peak 1726 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 1726, nxpk= 0, iat= 797, 881, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 50 LYS HA 56 ARG HG2 5.10 (#peak 1727 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1727, nxpk= 0, iat= 797, 880, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 55 ASN HA 56 ARG HG3 5.77 (#peak 1728 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 1728, nxpk= 0, iat= 861, 881, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 55 ASN HA 56 ARG HG2 4.79 (#peak 1729 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1729, nxpk= 0, iat= 861, 880, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 56 ARG H 56 ARG HG3 4.93 (#peak 1730 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 1730, nxpk= 0, iat= 873, 881, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 56 ARG HG3 57 THR H 5.97 (#peak 1732 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 1732, nxpk= 0, iat= 881, 897, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 56 ARG HG2 57 THR H 5.61 (#peak 1733 #SUP 1.00;)
&rst
ixpk= 1733, nxpk= 0, iat= 880, 897, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 81 MET QE 82 LEU QQD 4.91 (#peak 1736 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1736, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr1=1300,1301,1302,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 81 MET QE 82 LEU H 4.84 (#peak 1738 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1738, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1300,1301,1302,
&end
#
# 11 GLN HE22 81 MET QE 5.07 (#peak 1739 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 1739, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1300,1301,1302,
&end
#
# 11 GLN HE21 81 MET QE 5.32 (#peak 1740 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1740, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1300,1301,1302,
&end
#
# 81 MET HA 81 MET QE 5.23 (#peak 1741 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1741, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1300,1301,1302,
&end
#
# 81 MET QE 83 LYS HA 5.70 (#peak 1742 #SUP 0.67 #QF 0.67;)
&rst
ixpk= 1742, nxpk= 0, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1300,1301,1302,
&end
#
# 64 PRO HD2 76 TRP HB3 5.19 (#peak 1744 #SUP 1.00;)
&rst
ixpk= 1744, nxpk= 0, iat=1016,1208, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 63 LEU HG 64 PRO HD2 4.82 (#peak 1747 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1747, nxpk= 0, iat=1003,1016, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 63 LEU QD2 64 PRO HD2 4.22 (#peak 1749 #SUP 0.86 #QF 0.31;)
&rst
ixpk= 1749, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1009,1010,1011,
&end
#
# 57 THR QG2 64 PRO HD2 5.48 (#peak 1751 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1751, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 903, 904, 905,
&end
#
# 49 PHE QE 64 PRO HD2 4.87 (#peak 1753 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1753, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 785, 789,
&end
#
# 49 PHE QD 64 PRO HD2 5.12 (#peak 1754 #SUP 1.00;)
&rst
ixpk= 1754, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 783, 791,
&end
#
# 64 PRO HD3 76 TRP HB3 5.45 (#peak 1761 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1761, nxpk= 0, iat=1017,1208, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 63 LEU HG 64 PRO HD3 6.16 (#peak 1764 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1764, nxpk= 0, iat=1003,1017, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 16 VAL HB 41 TRP HD1 5.52 (#peak 1770 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 1770, nxpk= 0, iat= 235, 639, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 16 VAL HB 27 LYS HA 5.63 (#peak 1773 #SUP 1.00 #QF 0.95;)
&rst
ixpk= 1773, nxpk= 0, iat= 235, 413, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 16 VAL QG2 27 LYS HA 5.29 (#peak 1780 #SUP 1.00;)
&rst
ixpk= 1780, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 241, 242, 243,
&end
#
# 16 VAL QG2 41 TRP H 5.04 (#peak 1784 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1784, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 241, 242, 243,
&end
#
# 16 VAL QG2 41 TRP QB 5.36 (#peak 1794 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1794, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 241, 242, 243,
igr2= 635, 636,
&end
#
# 16 VAL QG2 39 PHE HB2 3.89 (#peak 1795 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1795, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 241, 242, 243,
&end
#
# 16 VAL QG2 39 PHE HB3 3.75 (#peak 1797 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1797, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 241, 242, 243,
&end
#
# 16 VAL QG2 28 PRO HG3 4.27 (#peak 1798 #SUP 1.00;)
&rst
ixpk= 1798, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 241, 242, 243,
&end
#
# 11 GLN HA 11 GLN QG 3.82 (#peak 1800 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1800, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 159, 160,
&end
#
# 11 GLN HA 12 SER QB 5.08 (#peak 1803 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1803, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 173, 174,
&end
#
# 63 LEU HA 64 PRO HG3 4.93 (#peak 1807 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1807, nxpk= 0, iat= 998,1020, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 63 LEU HA 64 PRO HG2 5.07 (#peak 1808 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1808, nxpk= 0, iat= 998,1019, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 27 LYS QB 28 PRO HD3 4.33 (#peak 1822 #SUP 1.00;)
&rst
ixpk= 1822, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 415, 416,
&end
#
# 27 LYS QB 28 PRO HD2 4.07 (#peak 1823 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 1823, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 415, 416,
&end
#
# 87 GLY HA3 88 PRO QD 3.85 (#peak 1826 #SUP 0.49 #QF 0.49;)
&rst
ixpk= 1826, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1406,1407,
&end
#
# 4 GLY QA 5 MET QE 6.16 (#peak 1829 #SUP 0.99 #QF 0.98;)
&rst
ixpk= 1829, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 44, 45,
igr2= 60, 61, 62,
&end
#
# 61 ASP HB3 64 PRO HA 6.16 (#peak 1840 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 1840, nxpk= 0, iat= 965,1025, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 61 ASP HB2 64 PRO HA 6.16 (#peak 1842 #SUP 0.93 #QF 0.71;)
&rst
ixpk= 1842, nxpk= 0, iat= 964,1025, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 50 LYS HA 50 LYS QE 4.95 (#peak 1851 #SUP 0.76 #QF 0.76;)
&rst
ixpk= 1851, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 808, 809,
&end
#
# 50 LYS QE 51 CYZN H 5.38 (#peak 1852 #SUP 0.51 #QF 0.51;)
&rst
ixpk= 1852, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 808, 809,
&end
#
# 50 LYS HG3 50 LYS QE 3.11 (#peak 1854 #SUP 0.59 #QF 0.59;)
&rst
ixpk= 1854, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 808, 809,
&end
#
# 46 LYS HG2 46 LYS HE3 4.49 (#peak 1863 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1863, nxpk= 0, iat= 716, 723, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 46 LYS HG3 46 LYS HE3 4.46 (#peak 1864 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1864, nxpk= 0, iat= 717, 723, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 46 LYS HE3 58 ILE QG2 5.08 (#peak 1865 #SUP 0.98 #QF 0.95;)
&rst
ixpk= 1865, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 917, 918, 919,
&end
#
# 46 LYS HG2 46 LYS HE2 4.49 (#peak 1866 #SUP 1.00;)
&rst
ixpk= 1866, nxpk= 0, iat= 716, 722, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 46 LYS HG3 46 LYS HE2 4.46 (#peak 1867 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1867, nxpk= 0, iat= 717, 722, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 46 LYS HE2 58 ILE QG2 5.08 (#peak 1868 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1868, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 917, 918, 919,
&end
#
# 26 PHE QD 46 LYS HE2 5.40 (#peak 1881 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1881, nxpk= 0, iat= -1, 722, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 399, 407,
&end
#
# 20 THR H 38 ASP HB2 5.34 (#peak 1882 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1882, nxpk= 0, iat= 293, 586, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 19 LYS H 38 ASP HB2 5.25 (#peak 1885 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1885, nxpk= 0, iat= 271, 586, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 37 HIZ+ HB3 38 ASP HB2 5.54 (#peak 1890 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1890, nxpk= 0, iat= 569, 586, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 19 LYS HB2 38 ASP HB3 4.37 (#peak 1894 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1894, nxpk= 0, iat= 275, 587, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 56 ARG HB3 56 ARG QD 3.75 (#peak 1895 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1895, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 883, 884,
&end
#
# 50 LYS QB 56 ARG QD 3.79 (#peak 1897 #SUP 1.00 #QF 0.79;)
&rst
ixpk= 1897, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 799, 800,
igr2= 883, 884,
&end
#
# 50 LYS QD 56 ARG QD 4.30 (#peak 1897 #SUP 1.00 #QF 0.79;)
&rst
ixpk= 1897, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 805, 806,
igr2= 883, 884,
&end
#
# 56 ARG QD 79 VAL QG1 4.63 (#peak 1898 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1898, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 883, 884,
igr2=1272,1273,1274,
&end
#
# 50 LYS HG2 56 ARG QD 4.61 (#peak 1899 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1899, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 883, 884,
&end
#
# 50 LYS HG3 56 ARG QD 4.77 (#peak 1900 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 1900, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 883, 884,
&end
#
# 55 ASN HA 56 ARG QD 5.24 (#peak 1901 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1901, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 883, 884,
&end
#
# 56 ARG HA 56 ARG QD 4.51 (#peak 1902 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1902, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 883, 884,
&end
#
# 14 ARG HA 14 ARG HD2 5.33 (#peak 1910 #SUP 0.90 #QF 0.85;)
&rst
ixpk= 1910, nxpk= 0, iat= 193, 201, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 14 ARG HA 14 ARG HD3 5.33 (#peak 1911 #SUP 1.00;)
&rst
ixpk= 1911, nxpk= 0, iat= 193, 202, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 14 ARG HD3 43 ASN HA 6.16 (#peak 1912 #SUP 0.68 #QF 0.68;)
&rst
ixpk= 1912, nxpk= 0, iat= 202, 674, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 14 ARG HD2 15 VAL H 6.01 (#peak 1915 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 1915, nxpk= 0, iat= 201, 215, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 14 ARG HD3 15 VAL H 6.01 (#peak 1916 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 1916, nxpk= 0, iat= 202, 215, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 9 ARG HB3 9 ARG QD 4.10 (#peak 1926 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1926, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 123, 124,
&end
#
# 61 ASP HA 62 ARG HG3 5.61 (#peak 1928 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 1928, nxpk= 0, iat= 962, 980, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 62 ARG HG2 63 LEU H 5.23 (#peak 1930 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1930, nxpk= 0, iat= 979, 996, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 78 ARG HB3 78 ARG HD3 4.66 (#peak 1936 #SUP 1.00;)
&rst
ixpk= 1936, nxpk= 0, iat=1247,1253, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 78 ARG HB3 78 ARG HD2 4.66 (#peak 1937 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1937, nxpk= 0, iat=1247,1252, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 78 ARG HB3 79 VAL H 5.01 (#peak 1939 #SUP 1.00;)
&rst
ixpk= 1939, nxpk= 0, iat=1247,1266, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 78 ARG HB2 79 VAL H 5.20 (#peak 1940 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1940, nxpk= 0, iat=1246,1266, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 49 PHE QE 78 ARG HB2 4.80 (#peak 1942 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1942, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 785, 789,
&end
#
# 61 ASP HA 62 ARG QB 5.40 (#peak 1943 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 1943, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 976, 977,
&end
#
# 9 ARG HG3 80 GLY HA2 5.06 (#peak 1949 #SUP 0.98 #QF 0.96;)
&rst
ixpk= 1949, nxpk= 0, iat= 121,1284, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 9 ARG HA 9 ARG HG2 4.37 (#peak 1950 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 1950, nxpk= 0, iat= 115, 120, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 78 ARG H 78 ARG QG 4.72 (#peak 1954 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1954, nxpk= 0, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1249,1250,
&end
#
# 8 ILE QG2 9 ARG HG2 5.29 (#peak 1955 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 1955, nxpk= 0, iat= -1, 120, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 100, 101, 102,
&end
#
# 50 LYS HG2 50 LYS QE 3.92 (#peak 1959 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1959, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 808, 809,
&end
#
# 50 LYS HG3 56 ARG HB3 6.15 (#peak 1960 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 1960, nxpk= 0, iat= 803, 878, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 50 LYS HG2 77 GLU HB3 5.36 (#peak 1961 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 1961, nxpk= 0, iat= 802,1232, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 8 ILE QG2 9 ARG QD 4.98 (#peak 1964 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1964, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 100, 101, 102,
igr2= 123, 124,
&end
#
# 8 ILE HA 9 ARG QD 6.06 (#peak 1965 #SUP 0.94 #QF 0.70;)
&rst
ixpk= 1965, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2= 123, 124,
&end
#
# 26 PHE H 26 PHE HB2 4.57 (#peak 1971 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1971, nxpk= 0, iat= 391, 395, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 51 CYZN H 55 ASN HB3 5.39 (#peak 1986 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 1986, nxpk= 0, iat= 817, 864, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 54 GLY H 55 ASN HB2 5.25 (#peak 1989 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1989, nxpk= 0, iat= 852, 863, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 54 GLY H 55 ASN HB3 5.28 (#peak 1990 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1990, nxpk= 0, iat= 852, 864, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 51 CYZN HB2 55 ASN HB2 5.36 (#peak 2000 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 2000, nxpk= 0, iat= 821, 863, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 51 CYZN HB2 55 ASN HB3 4.96 (#peak 2001 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 2001, nxpk= 0, iat= 821, 864, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 55 ASN HB3 70 THR QG2 5.70 (#peak 2003 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 2003, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1117,1118,1119,
&end
#
# 43 ASN HB2 44 GLY H 5.14 (#peak 2012 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2012, nxpk= 0, iat= 676, 686, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 14 ARG HA 43 ASN HB2 5.16 (#peak 2017 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 2017, nxpk= 0, iat= 193, 676, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 14 ARG HA 43 ASN HB3 5.02 (#peak 2018 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 2018, nxpk= 0, iat= 193, 677, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 12 SER QB 43 ASN HB2 6.16 (#peak 2021 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2021, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 173, 174,
&end
#
# 65 LYS HA 65 LYS QE 5.91 (#peak 2023 #SUP 1.00;)
&rst
ixpk= 2023, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2=1042,1043,
&end
#
# 65 LYS QB 65 LYS QE 4.85 (#peak 2026 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 2026, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1033,1034,
igr2=1042,1043,
&end
#
# 66 LYS QD 66 LYS QE 3.34 (#peak 2027 #SUP 0.99 #QF 0.98;)
&rst
ixpk= 2027, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1061,1062,
igr2=1064,1065,
&end
#
# 68 CYZN HB3 72 GLY HA2 5.26 (#peak 2032 #SUP 1.00 #QF 0.91;)
&rst
ixpk= 2032, nxpk= 0, iat=1094,1137, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 68 CYZN HB2 70 THR HB 6.16 (#peak 2033 #SUP 1.00 #QF 0.98;)
&rst
ixpk= 2033, nxpk= 0, iat=1095,1115, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 68 CYZN HB2 72 GLY HA2 6.16 (#peak 2033 #SUP 1.00 #QF 0.98;)
&rst
ixpk= 2033, nxpk= 0, iat=1095,1137, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 81 MET QG 82 LEU QQD 4.38 (#peak 2044 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 2044, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1296,1297,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 81 MET HA 81 MET QG 3.83 (#peak 2046 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2046, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1296,1297,
&end
#
# 48 PHE QD 81 MET QG 4.54 (#peak 2048 #SUP 0.56 #QF 0.21;)
&rst
ixpk= 2048, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 763, 771,
igr2=1296,1297,
&end
#
# 48 PHE QE 81 MET QG 4.72 (#peak 2048 #SUP 0.56 #QF 0.21;)
&rst
ixpk= 2048, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 765, 769,
igr2=1296,1297,
&end
#
# 81 MET QG 82 LEU H 4.01 (#peak 2049 #SUP 0.98 #QF 0.25;)
&rst
ixpk= 2049, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1296,1297,
&end
#
# 56 ARG QD 79 VAL QG2 4.35 (#peak 2051 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 2051, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 883, 884,
igr2=1276,1277,1278,
&end
#
# 50 LYS HA 56 ARG QD 4.92 (#peak 2053 #SUP 1.00;)
&rst
ixpk= 2053, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 883, 884,
&end
#
# 50 LYS HA 50 LYS QD 5.49 (#peak 2056 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 2056, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 805, 806,
&end
#
# 56 ARG HB2 56 ARG QD 4.08 (#peak 2058 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2058, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 883, 884,
&end
#
# 47 ARG HB3 49 PHE QE 4.61 (#peak 2063 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2063, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 785, 789,
&end
#
# 47 ARG HB3 47 ARG HD3 4.68 (#peak 2068 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2068, nxpk= 0, iat= 736, 742, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 46 LYS HA 46 LYS HG2 4.26 (#peak 2070 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2070, nxpk= 0, iat= 711, 716, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 22 LYS HA 22 LYS QG 3.58 (#peak 2071 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2071, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 324, 325,
&end
#
# 21 CYZN HB2 22 LYS HA 5.62 (#peak 2074 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2074, nxpk= 0, iat= 312, 319, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 22 LYS HA 22 LYS QD 5.01 (#peak 2076 #SUP 0.97 #QF 0.39;)
&rst
ixpk= 2076, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 327, 328,
&end
#
# 22 LYS HA 23 TYR HA 5.56 (#peak 2077 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 2077, nxpk= 0, iat= 319, 341, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 21 CYZN H 22 LYS HA 4.74 (#peak 2079 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2079, nxpk= 0, iat= 307, 319, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 19 LYS HA 21 CYZN H 5.63 (#peak 2082 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 2082, nxpk= 0, iat= 273, 307, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 19 LYS HA 23 TYR H 5.38 (#peak 2084 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2084, nxpk= 0, iat= 273, 339, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 19 LYS HA 19 LYS QE 4.94 (#peak 2086 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 2086, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 284, 285,
&end
#
# 19 LYS HA 19 LYS HG3 4.24 (#peak 2088 #SUP 1.00;)
&rst
ixpk= 2088, nxpk= 0, iat= 273, 279, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 19 LYS HA 22 LYS QG 4.96 (#peak 2089 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 2089, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 324, 325,
&end
#
# 19 LYS HA 19 LYS QD 4.72 (#peak 2092 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2092, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 281, 282,
&end
#
# 61 ASP HA 62 ARG HA 4.93 (#peak 2097 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2097, nxpk= 0, iat= 962, 974, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 30 GLU HA 34 SER H 4.77 (#peak 2102 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 2102, nxpk= 0, iat= 471, 524, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 30 GLU HA 33 VAL H 4.27 (#peak 2104 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 2104, nxpk= 0, iat= 471, 508, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 30 GLU HA 33 VAL HB 4.24 (#peak 2107 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2107, nxpk= 0, iat= 471, 512, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 30 GLU HA 30 GLU QB 3.14 (#peak 2108 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2108, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 473, 474,
&end
#
# 28 PRO HB2 30 GLU HA 6.16 (#peak 2109 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 2109, nxpk= 0, iat= 440, 471, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 30 GLU HA 31 THR QG2 6.00 (#peak 2110 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 2110, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 490, 491, 492,
&end
#
# 21 CYZN HA 22 LYS QG 5.02 (#peak 2116 #SUP 1.00;)
&rst
ixpk= 2116, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 324, 325,
&end
#
# 21 CYZN HA 22 LYS QD 5.48 (#peak 2117 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2117, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 327, 328,
&end
#
# 21 CYZN HA 23 TYR QD 4.78 (#peak 2119 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2119, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 347, 356,
&end
#
# 33 VAL HB 34 SER HB3 6.09 (#peak 2126 #SUP 0.99 #QF 0.86;)
&rst
ixpk= 2126, nxpk= 0, iat= 512, 529, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 33 VAL HB 34 SER HB2 4.96 (#peak 2127 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 2127, nxpk= 0, iat= 512, 528, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 31 THR QG2 34 SER HB3 5.44 (#peak 2128 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2128, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 490, 491, 492,
&end
#
# 31 THR QG2 34 SER HB2 6.16 (#peak 2129 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2129, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 490, 491, 492,
&end
#
# 52 PRO HA 54 GLY H 4.59 (#peak 2135 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2135, nxpk= 0, iat= 838, 852, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 69 SER H 69 SER HB2 4.14 (#peak 2136 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 2136, nxpk= 0, iat=1100,1104, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 59 SER HA 64 PRO HA 5.92 (#peak 2138 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 2138, nxpk= 0, iat= 932,1025, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 16 VAL QG2 28 PRO HA 4.88 (#peak 2143 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2143, nxpk= 0, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 241, 242, 243,
&end
#
# 10 GLU HB2 45 VAL HA 5.78 (#peak 2145 #SUP 0.30 #QF 0.30;)
&rst
ixpk= 2145, nxpk= 0, iat= 141, 695, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 28 PRO HA 29 LYS HA 5.07 (#peak 2147 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 2147, nxpk= 0, iat= 443, 449, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 23 TYR QE 28 PRO HA 4.11 (#peak 2148 #SUP 0.76 #QF 0.76;)
&rst
ixpk= 2148, nxpk= 0, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 349, 354,
&end
#
# 28 PRO HA 39 PHE QE 6.16 (#peak 2150 #SUP 0.58 #QF 0.58;)
&rst
ixpk= 2150, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2= 604, 608,
&end
#
# 13 CYS H 45 VAL HA 3.68 (#peak 2151 #SUP 0.98 #QF 0.84;)
&rst
ixpk= 2151, nxpk= 0, iat= 180, 695, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 15 VAL HA 26 PHE HA 3.81 (#peak 2157 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2157, nxpk= 0, iat= 217, 393, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 78 ARG QG 79 VAL HA 5.08 (#peak 2161 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 2161, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1249,1250,
&end
#
# 50 LYS QB 79 VAL HA 5.47 (#peak 2162 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2162, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 799, 800,
&end
#
# 49 PHE HA 79 VAL HA 6.00 (#peak 2164 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2164, nxpk= 0, iat= 777,1268, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 VAL H 26 PHE HA 4.63 (#peak 2167 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2167, nxpk= 0, iat= 231, 393, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 15 VAL HB 26 PHE HA 4.57 (#peak 2173 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2173, nxpk= 0, iat= 219, 393, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 15 VAL QG2 26 PHE HA 5.31 (#peak 2176 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2176, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 225, 226, 227,
&end
#
# 16 VAL HA 41 TRP QB 5.13 (#peak 2183 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2183, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 635, 636,
&end
#
# 7 SER HA 8 ILE HG12 5.80 (#peak 2187 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 2187, nxpk= 0, iat= 85, 104, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 7 SER HA 8 ILE HG13 5.80 (#peak 2188 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2188, nxpk= 0, iat= 85, 105, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 9 ARG HA 10 GLU HA 5.62 (#peak 2194 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2194, nxpk= 0, iat= 115, 139, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 8 ILE QG2 9 ARG HA 4.72 (#peak 2197 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2197, nxpk= 0, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 100, 101, 102,
&end
#
# 65 LYS HA 65 LYS QB 3.38 (#peak 2200 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2200, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1033,1034,
&end
#
# 64 PRO HB2 65 LYS HA 6.16 (#peak 2201 #SUP 0.75 #QF 0.27;)
&rst
ixpk= 2201, nxpk= 0, iat=1022,1031, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 74 PHE HA 74 PHE QE 5.38 (#peak 2208 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 2208, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1171,1175,
&end
#
# 84 GLU HA 84 GLU QG 3.79 (#peak 2214 #SUP 1.00;)
&rst
ixpk= 2214, nxpk= 0, iat=1349, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1354,1355,
&end
#
# 89 LYS HA 90 LEU H 3.48 (#peak 2218 #SUP 0.37 #QF 0.37;)
&rst
ixpk= 2218, nxpk= 0, iat=1421,1441, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 3 MET HA 3 MET QG 4.75 (#peak 2222 #SUP 0.99 #QF 0.92;)
&rst
ixpk= 2222, nxpk= 0, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 32, 33,
&end
#
# 46 LYS QD 48 PHE QE 4.52 (#peak 2224 #SUP 0.99 #QF 0.87;)
&rst
ixpk= 2224, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 719, 720,
igr2= 765, 769,
&end
#
# 11 GLN HE22 46 LYS QD 6.04 (#peak 2226 #SUP 0.62 #QF 0.62;)
&rst
ixpk= 2226, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr2= 719, 720,
&end
#
# 46 LYS HG3 58 ILE QG2 4.48 (#peak 2229 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 2229, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 917, 918, 919,
&end
#
# 46 LYS HG2 47 ARG HA 5.35 (#peak 2237 #SUP 0.98 #QF 0.96;)
&rst
ixpk= 2237, nxpk= 0, iat= 716, 733, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 26 PHE QD 46 LYS HG2 6.16 (#peak 2241 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 2241, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 399, 407,
&end
#
# 46 LYS HG2 48 PHE QE 5.62 (#peak 2242 #SUP 1.00 #QF 0.88;)
&rst
ixpk= 2242, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2= 765, 769,
&end
#
# 46 LYS HG2 48 PHE HZ 5.85 (#peak 2242 #SUP 1.00 #QF 0.88;)
&rst
ixpk= 2242, nxpk= 0, iat= 716, 767, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 26 PHE QE 46 LYS HG2 5.54 (#peak 2243 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 2243, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 401, 405,
&end
#
# 46 LYS HA 46 LYS QD 4.85 (#peak 2247 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2247, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 719, 720,
&end
#
# 13 CYS H 46 LYS QD 5.30 (#peak 2251 #SUP 0.43 #QF 0.43;)
&rst
ixpk= 2251, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 719, 720,
&end
#
# 47 ARG HB2 48 PHE H 5.16 (#peak 2261 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 2261, nxpk= 0, iat= 735, 755, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 47 ARG HB3 47 ARG HD2 4.68 (#peak 2270 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 2270, nxpk= 0, iat= 736, 741, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 47 ARG HA 47 ARG HD2 5.33 (#peak 2272 #SUP 0.73 #QF 0.73;)
&rst
ixpk= 2272, nxpk= 0, iat= 733, 741, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 7 SER H 7 SER QB 3.85 (#peak 2276 #SUP 0.67 #QF 0.67;)
&rst
ixpk= 2276, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 87, 88,
&end
#
# 33 VAL H 34 SER HB2 5.63 (#peak 2278 #SUP 0.78 #QF 0.78;)
&rst
ixpk= 2278, nxpk= 0, iat= 508, 528, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 78 ARG HA 78 ARG HD3 4.75 (#peak 2279 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 2279, nxpk= 0, iat=1244,1253, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 16 VAL QG1 41 TRP HA 6.10 (#peak 2280 #SUP 0.92 #QF 0.89;)
&rst
ixpk= 2280, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 237, 238, 239,
&end
#
# 16 VAL HA 16 VAL QG1 4.01 (#peak 2281 #SUP 0.55 #QF 0.55;)
&rst
ixpk= 2281, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 237, 238, 239,
&end
#
# 73 LEU QD1 75 LYS HG3 4.28 (#peak 2287 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 2287, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1151,1152,1153,
&end
#
# 22 LYS QG 22 LYS QE 4.27 (#peak 2299 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2299, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 324, 325,
igr2= 330, 331,
&end
#
# 35 GLU HA 37 HIZ+ HD2 5.04 (#peak 2313 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 2313, nxpk= 0, iat= 537, 575, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 82 LEU HA 82 LEU QB 3.11 (#peak 2314 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2314, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1310,1311,
&end
#
# 81 MET QG 82 LEU HA 5.12 (#peak 2315 #SUP 0.73 #QF 0.73;)
&rst
ixpk= 2315, nxpk= 0, iat= -1,1308, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1296,1297,
&end
#
# 82 LEU HA 83 LYS H 3.10 (#peak 2317 #SUP 0.72 #QF 0.72;)
&rst
ixpk= 2317, nxpk= 0, iat=1308,1325, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 35 GLU HA 35 GLU HG2 4.17 (#peak 2321 #SUP 1.00 #QF 0.98;)
&rst
ixpk= 2321, nxpk= 0, iat= 537, 542, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 68 CYZN HB3 74 PHE HA 6.16 (#peak 2323 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 2323, nxpk= 0, iat=1094,1163, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 37 HIZ+ HB3 38 ASP HA 5.34 (#peak 2325 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2325, nxpk= 0, iat= 569, 584, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 77 GLU HA 77 GLU HG2 4.28 (#peak 2328 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2328, nxpk= 0, iat=1229,1234, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 77 GLU HA 77 GLU HG3 4.28 (#peak 2329 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2329, nxpk= 0, iat=1229,1235, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 77 GLU HG2 79 VAL HA 5.95 (#peak 2330 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2330, nxpk= 0, iat=1234,1268, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 77 GLU HG3 79 VAL HA 5.95 (#peak 2331 #SUP 0.73 #QF 0.73;)
&rst
ixpk= 2331, nxpk= 0, iat=1235,1268, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 10 GLU HA 10 GLU QG 4.03 (#peak 2336 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2336, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 144, 145,
&end
#
# 9 ARG HA 10 GLU QG 5.76 (#peak 2337 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2337, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 144, 145,
&end
#
# 10 GLU QG 47 ARG HA 6.13 (#peak 2338 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 2338, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 144, 145,
&end
#
# 10 GLU QG 48 PHE QE 6.16 (#peak 2339 #SUP 0.76 #QF 0.76;)
&rst
ixpk= 2339, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 144, 145,
igr2= 765, 769,
&end
#
# 8 ILE HB 10 GLU QG 3.66 (#peak 2343 #SUP 0.95 #QF 0.46;)
&rst
ixpk= 2343, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 144, 145,
&end
#
# 10 GLU QG 45 VAL QG2 4.70 (#peak 2344 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 2344, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 144, 145,
igr2= 703, 704, 705,
&end
#
# 68 CYZN HB3 76 TRP HZ2 5.60 (#peak 2348 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 2348, nxpk= 0, iat=1094,1216, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 68 CYZN HB2 76 TRP HZ2 4.51 (#peak 2349 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2349, nxpk= 0, iat=1095,1216, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 51 CYZN HB2 76 TRP HZ2 5.80 (#peak 2350 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 2350, nxpk= 0, iat= 821,1216, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 57 THR HB 76 TRP HZ2 4.12 (#peak 2352 #SUP 0.72 #QF 0.72;)
&rst
ixpk= 2352, nxpk= 0, iat= 901,1216, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 48 PHE QD 58 ILE QG2 3.58 (#peak 2353 #SUP 1.00 #QF 0.98;)
&rst
ixpk= 2353, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 763, 771,
igr2= 917, 918, 919,
&end
#
# 9 ARG HG3 10 GLU HA 5.70 (#peak 2363 #SUP 0.76 #QF 0.76;)
&rst
ixpk= 2363, nxpk= 0, iat= 121, 139, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 28 PRO HD3 41 TRP HH2 4.17 (#peak 2366 #SUP 1.00;)
&rst
ixpk= 2366, nxpk= 0, iat= 435, 646, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 28 PRO HD2 41 TRP HH2 4.33 (#peak 2367 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 2367, nxpk= 0, iat= 434, 646, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 31 THR HA 34 SER HB3 4.14 (#peak 2373 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 2373, nxpk= 0, iat= 486, 529, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 32 CYZN HA 35 GLU HB3 5.63 (#peak 2374 #SUP 1.00;)
&rst
ixpk= 2374, nxpk= 0, iat= 500, 540, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 31 THR QG2 32 CYZN HA 6.09 (#peak 2376 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2376, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 490, 491, 492,
&end
#
# 32 CYZN HA 37 HIZ+ HA 6.10 (#peak 2378 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 2378, nxpk= 0, iat= 500, 566, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 31 THR HA 32 CYZN HA 5.95 (#peak 2379 #SUP 1.00;)
&rst
ixpk= 2379, nxpk= 0, iat= 486, 500, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 31 THR HB 32 CYZN HA 6.16 (#peak 2379 #SUP 1.00;)
&rst
ixpk= 2379, nxpk= 0, iat= 488, 500, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 32 CYZN HA 33 VAL HA 5.48 (#peak 2380 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2380, nxpk= 0, iat= 500, 510, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 32 CYZN HA 37 HIZ+ HB3 5.10 (#peak 2381 #SUP 1.00;)
&rst
ixpk= 2381, nxpk= 0, iat= 500, 569, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 47 ARG HB2 59 SER HB3 5.34 (#peak 2389 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 2389, nxpk= 0, iat= 735, 935, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 59 SER HB3 64 PRO HB3 5.75 (#peak 2389 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 2389, nxpk= 0, iat= 935,1023, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 15 VAL HA 41 TRP HZ3 5.04 (#peak 23 #SUP 0.99 #QF 0.86;)
&rst
ixpk= 23, nxpk= 0, iat= 217, 648, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 27 LYS HA 41 TRP HZ3 5.78 (#peak 23 #SUP 0.99 #QF 0.86;)
&rst
ixpk= 23, nxpk= 0, iat= 413, 648, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 14 ARG HB3 14 ARG HE 5.32 (#peak 24 #SUP 0.99 #QF 0.40;)
&rst
ixpk= 24, nxpk= 0, iat= 196, 204, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 41 TRP HE3 42 HIS H 4.41 (#peak 27 #SUP 1.00;)
&rst
ixpk= 27, nxpk= 0, iat= 650, 655, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 74 PHE HZ 76 TRP HD1 4.44 (#peak 28 #SUP 1.00;)
&rst
ixpk= 28, nxpk= 0, iat=1173,1211, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 50 LYS HA 76 TRP HZ3 4.14 (#peak 34 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 34, nxpk= 0, iat= 797,1220, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 56 ARG HA 76 TRP HZ3 4.10 (#peak 35 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 35, nxpk= 0, iat= 875,1220, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 74 PHE QD 76 TRP HD1 4.20 (#peak 44 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 44, nxpk= 0, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1169,1177,
&end
#
# 39 PHE HA 40 HIS HD2 5.51 (#peak 50 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 50, nxpk= 0, iat= 596, 627, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 49 PHE H 56 ARG HA 6.16 (#peak 54 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 54, nxpk= 0, iat= 775, 875, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 56 ARG HA 76 TRP HE3 5.38 (#peak 57 #SUP 0.98 #QF 0.94;)
&rst
ixpk= 57, nxpk= 0, iat= 875,1222, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 56 ARG HA 76 TRP HH2 5.78 (#peak 57 #SUP 0.98 #QF 0.94;)
&rst
ixpk= 57, nxpk= 0, iat= 875,1218, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 50 LYS HA 77 GLU H 5.40 (#peak 59 #SUP 0.63 #QF 0.63;)
&rst
ixpk= 59, nxpk= 0, iat= 797,1227, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 50 LYS HA 76 TRP HE3 4.49 (#peak 63 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 63, nxpk= 0, iat= 797,1222, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 50 LYS HA 56 ARG HA 3.73 (#peak 64 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 64, nxpk= 0, iat= 797, 875, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 49 PHE HA 49 PHE QD 3.94 (#peak 68 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 68, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 783, 791,
&end
#
# 23 TYR QE 24 THR HA 5.12 (#peak 73 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 73, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 349, 354,
&end
#
# 23 TYR QD 24 THR HA 4.33 (#peak 77 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 77, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 347, 356,
&end
#
# 17 THR HA 24 THR HA 3.68 (#peak 78 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 78, nxpk= 0, iat= 249, 362, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 15 VAL H 41 TRP HA 5.94 (#peak 80 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 80, nxpk= 0, iat= 215, 633, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 41 TRP HA 41 TRP HE3 4.19 (#peak 82 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 82, nxpk= 0, iat= 633, 650, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 41 TRP HA 42 HIS HD2 4.17 (#peak 83 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 83, nxpk= 0, iat= 633, 668, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 17 THR HA 25 HIS H 4.46 (#peak 84 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 84, nxpk= 0, iat= 249, 374, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 49 PHE QE 58 ILE HA 5.22 (#peak 90 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 90, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 785, 789,
&end
#
# 49 PHE QD 58 ILE HA 4.33 (#peak 92 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 92, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 783, 791,
&end
#
# 40 HIS HA 40 HIS HD2 4.47 (#peak 97 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 97, nxpk= 0, iat= 616, 627, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 39 PHE QD 40 HIS HA 5.67 (#peak 98 #SUP 1.00;)
&rst
ixpk= 98, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 602, 610,
&end
#
# 39 PHE HA 40 HIS HA 5.34 (#peak 99 #SUP 1.00;)
&rst
ixpk= 99, nxpk= 0, iat= 596, 616, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 48 PHE HA 49 PHE H 3.36 (#peak 107 #SUP 1.00 #QF 0.62;)
&rst
ixpk= 107, nxpk= 0, iat= 757, 775, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 48 PHE HA 48 PHE QE 5.48 (#peak 114 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 114, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 765, 769,
&end
#
# 48 PHE HA 49 PHE QD 4.44 (#peak 115 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 115, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 783, 791,
&end
#
# 14 ARG HA 41 TRP HE3 5.30 (#peak 119 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 119, nxpk= 0, iat= 193, 650, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 26 PHE QD 60 LEU HA 6.16 (#peak 120 #SUP 0.91 #QF 0.88;)
&rst
ixpk= 120, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 399, 407,
&end
#
# 47 ARG HE 60 LEU HA 6.16 (#peak 120 #SUP 0.91 #QF 0.88;)
&rst
ixpk= 120, nxpk= 0, iat= 744, 943, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 42 HIS HA 42 HIS HD2 4.86 (#peak 121 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 121, nxpk= 0, iat= 657, 668, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 49 PHE QD 77 GLU HA 4.47 (#peak 128 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 128, nxpk= 0, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 783, 791,
&end
#
# 25 HIS HA 27 LYS H 5.30 (#peak 131 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 131, nxpk= 0, iat= 376, 411, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 25 HIS HA 26 PHE QD 5.22 (#peak 132 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 132, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 399, 407,
&end
#
# 25 HIS HA 25 HIS HD2 3.85 (#peak 133 #SUP 0.72 #QF 0.72;)
&rst
ixpk= 133, nxpk= 0, iat= 376, 387, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 23 TYR QD 25 HIS HA 5.10 (#peak 134 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 134, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 347, 356,
&end
#
# 15 VAL HA 42 HIS HD2 6.16 (#peak 143 #SUP 0.43 #QF 0.43;)
&rst
ixpk= 143, nxpk= 0, iat= 217, 668, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 27 LYS HA 41 TRP HZ2 5.25 (#peak 145 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 145, nxpk= 0, iat= 413, 644, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 27 LYS HA 41 TRP HH2 4.72 (#peak 146 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 146, nxpk= 0, iat= 413, 646, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 15 VAL HA 26 PHE QD 5.61 (#peak 150 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 150, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 399, 407,
&end
#
# 18 CYZN HA 39 PHE QD 3.89 (#peak 154 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 154, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 602, 610,
&end
#
# 51 CYZN HA 53 CYZN H 5.41 (#peak 157 #SUP 0.51 #QF 0.30;)
&rst
ixpk= 157, nxpk= 0, iat= 819, 842, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 38 ASP HA 39 PHE QE 5.22 (#peak 160 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 160, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 604, 608,
&end
#
# 51 CYZN HA 75 LYS H 6.16 (#peak 163 #SUP 0.87 #QF 0.63;)
&rst
ixpk= 163, nxpk= 0, iat= 819,1181, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 67 HIS HA 74 PHE QD 3.70 (#peak 165 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 165, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1169,1177,
&end
#
# 51 CYZN HA 77 GLU H 5.35 (#peak 166 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 166, nxpk= 0, iat= 819,1227, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 51 CYZN HA 76 TRP HZ3 5.07 (#peak 168 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 168, nxpk= 0, iat= 819,1220, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 68 CYZN HA 76 TRP HZ2 3.34 (#peak 169 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 169, nxpk= 0, iat=1092,1216, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 16 VAL HA 41 TRP HE3 4.80 (#peak 186 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 186, nxpk= 0, iat= 233, 650, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 16 VAL HA 39 PHE QD 6.16 (#peak 187 #SUP 1.00 #QF 0.96;)
&rst
ixpk= 187, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2= 602, 610,
&end
#
# 28 PRO HA 39 PHE QD 6.16 (#peak 187 #SUP 1.00 #QF 0.96;)
&rst
ixpk= 187, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2= 602, 610,
&end
#
# 37 HIZ+ HA 39 PHE QD 6.16 (#peak 187 #SUP 1.00 #QF 0.96;)
&rst
ixpk= 187, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2= 602, 610,
&end
#
# 37 HIZ+ HA 37 HIZ+ HD2 3.30 (#peak 188 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 188, nxpk= 0, iat= 566, 575, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 16 VAL HA 42 HIS HD2 4.08 (#peak 189 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 189, nxpk= 0, iat= 233, 668, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 16 VAL HA 41 TRP HA 3.62 (#peak 190 #SUP 1.00;)
&rst
ixpk= 190, nxpk= 0, iat= 233, 633, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 37 HIZ+ HA 39 PHE QE 5.35 (#peak 197 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 197, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 604, 608,
&end
#
# 74 PHE QD 75 LYS HA 5.26 (#peak 198 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 198, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1169,1177,
&end
#
# 76 TRP HA 76 TRP HD1 5.14 (#peak 201 #SUP 0.39 #QF 0.39;)
&rst
ixpk= 201, nxpk= 0, iat=1205,1211, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 26 PHE HA 26 PHE QD 3.36 (#peak 210 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 210, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 399, 407,
&end
#
# 76 TRP HA 76 TRP HE3 3.60 (#peak 211 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 211, nxpk= 0, iat=1205,1222, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 76 TRP HA 76 TRP HZ3 5.34 (#peak 212 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 212, nxpk= 0, iat=1205,1220, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 9 ARG HA 10 GLU H 3.98 (#peak 215 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 215, nxpk= 0, iat= 115, 137, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 9 ARG HA 81 MET H 4.88 (#peak 216 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 216, nxpk= 0, iat= 115,1289, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 79 VAL HA 80 GLY H 3.92 (#peak 219 #SUP 0.91 #QF 0.64;)
&rst
ixpk= 219, nxpk= 0, iat=1268,1282, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 65 LYS HA 74 PHE HZ 4.18 (#peak 224 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 224, nxpk= 0, iat=1031,1173, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 46 LYS HA 59 SER H 5.86 (#peak 236 #SUP 0.98 #QF 0.54;)
&rst
ixpk= 236, nxpk= 0, iat= 711, 930, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 47 ARG HA 59 SER H 6.16 (#peak 236 #SUP 0.98 #QF 0.54;)
&rst
ixpk= 236, nxpk= 0, iat= 733, 930, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 26 PHE QD 46 LYS HA 6.16 (#peak 239 #SUP 1.00 #QF 0.83;)
&rst
ixpk= 239, nxpk= 0, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 399, 407,
&end
#
# 46 LYS HA 47 ARG HE 6.16 (#peak 239 #SUP 1.00 #QF 0.83;)
&rst
ixpk= 239, nxpk= 0, iat= 711, 744, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 47 ARG HA 47 ARG HE 6.16 (#peak 239 #SUP 1.00 #QF 0.83;)
&rst
ixpk= 239, nxpk= 0, iat= 733, 744, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 47 ARG HA 48 PHE QE 6.03 (#peak 240 #SUP 0.54 #QF 0.37;)
&rst
ixpk= 240, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2= 765, 769,
&end
#
# 26 PHE QE 46 LYS HA 5.19 (#peak 241 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 241, nxpk= 0, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 401, 405,
&end
#
# 70 THR HB 76 TRP HH2 6.14 (#peak 256 #SUP 0.30 #QF 0.30;)
&rst
ixpk= 256, nxpk= 0, iat=1115,1218, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 67 HIS HD2 74 PHE HA 5.10 (#peak 263 #SUP 0.70 #QF 0.70;)
&rst
ixpk= 263, nxpk= 0, iat=1086,1163, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 68 CYZN H 74 PHE HA 5.10 (#peak 266 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 266, nxpk= 0, iat=1090,1163, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 86 THR HB 87 GLY H 4.74 (#peak 268 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 268, nxpk= 0, iat=1388,1398, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 74 PHE HA 74 PHE QD 3.89 (#peak 270 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 270, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1169,1177,
&end
#
# 74 PHE HA 76 TRP HD1 4.86 (#peak 272 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 272, nxpk= 0, iat=1163,1211, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 49 PHE QE 78 ARG HA 4.74 (#peak 282 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 282, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 785, 789,
&end
#
# 49 PHE QD 78 ARG HA 3.88 (#peak 284 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 284, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 783, 791,
&end
#
# 29 LYS HA 31 THR H 4.84 (#peak 290 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 290, nxpk= 0, iat= 449, 484, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 29 LYS HA 32 CYZN H 5.56 (#peak 293 #SUP 1.00;)
&rst
ixpk= 293, nxpk= 0, iat= 449, 498, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 49 PHE HZ 63 LEU HA 4.07 (#peak 297 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 297, nxpk= 0, iat= 787, 998, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 49 PHE QE 63 LEU HA 3.96 (#peak 298 #SUP 1.00 #QF 0.98;)
&rst
ixpk= 298, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 785, 789,
&end
#
# 49 PHE QD 63 LEU HA 4.69 (#peak 299 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 299, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 783, 791,
&end
#
# 30 GLU H 31 THR HA 5.86 (#peak 304 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 304, nxpk= 0, iat= 469, 486, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 31 THR HA 33 VAL H 5.28 (#peak 308 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 308, nxpk= 0, iat= 486, 508, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 20 THR H 21 CYZN HA 5.69 (#peak 316 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 316, nxpk= 0, iat= 293, 309, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 21 CYZN HA 23 TYR QE 6.16 (#peak 318 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 318, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2= 349, 354,
&end
#
# 12 SER QB 44 GLY H 5.48 (#peak 324 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 324, nxpk= 0, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 173, 174,
&end
#
# 33 VAL HA 36 ASN H 4.42 (#peak 330 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 330, nxpk= 0, iat= 510, 550, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 48 PHE QE 81 MET HA 4.18 (#peak 333 #SUP 1.00;)
&rst
ixpk= 333, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 765, 769,
&end
#
# 49 PHE QE 62 ARG HA 4.50 (#peak 343 #SUP 0.99 #QF 0.28;)
&rst
ixpk= 343, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 785, 789,
&end
#
# 28 PRO HD2 41 TRP HZ2 4.29 (#peak 352 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 352, nxpk= 0, iat= 434, 644, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 17 THR HB 42 HIS HD2 4.41 (#peak 357 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 357, nxpk= 0, iat= 251, 668, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 52 PRO HD3 53 CYZN H 5.13 (#peak 360 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 360, nxpk= 0, iat= 830, 842, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 19 LYS H 20 THR HB 5.30 (#peak 370 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 370, nxpk= 0, iat= 271, 297, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 20 THR HB 21 CYZN H 3.64 (#peak 371 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 371, nxpk= 0, iat= 297, 307, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 20 THR HB 37 HIZ+ HE1 5.56 (#peak 372 #SUP 0.36 #QF 0.36;)
&rst
ixpk= 372, nxpk= 0, iat= 297, 576, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 20 THR HB 37 HIZ+ HD2 5.39 (#peak 376 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 376, nxpk= 0, iat= 297, 575, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 20 THR H 37 HIZ+ HB3 5.10 (#peak 379 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 379, nxpk= 0, iat= 293, 569, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 37 HIZ+ HB3 39 PHE QE 5.24 (#peak 381 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 381, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 604, 608,
&end
#
# 37 HIZ+ HB3 39 PHE QD 4.65 (#peak 382 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 382, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 602, 610,
&end
#
# 28 PRO HD3 41 TRP HZ2 4.02 (#peak 391 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 391, nxpk= 0, iat= 435, 644, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 49 PHE HZ 59 SER HB3 5.15 (#peak 392 #SUP 1.00;)
&rst
ixpk= 392, nxpk= 0, iat= 787, 935, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 28 PRO HD3 41 TRP HZ3 5.48 (#peak 395 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 395, nxpk= 0, iat= 435, 648, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 49 PHE QD 59 SER HB3 4.61 (#peak 396 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 396, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 783, 791,
&end
#
# 25 HIS HB3 26 PHE H 3.95 (#peak 404 #SUP 0.97 #QF 0.84;)
&rst
ixpk= 404, nxpk= 0, iat= 379, 391, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 23 TYR QD 25 HIS HB3 5.36 (#peak 409 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 409, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 347, 356,
&end
#
# 62 ARG QD 63 LEU H 4.95 (#peak 426 #SUP 0.97 #QF 0.21;)
&rst
ixpk= 426, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 982, 983,
&end
#
# 21 CYZN HB3 23 TYR QE 3.88 (#peak 427 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 427, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 349, 354,
&end
#
# 21 CYZN HB3 23 TYR QD 3.53 (#peak 428 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 428, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 347, 356,
&end
#
# 14 ARG HD2 43 ASN HA 6.16 (#peak 429 #SUP 0.68 #QF 0.68;)
&rst
ixpk= 429, nxpk= 0, iat= 201, 674, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 40 HIS HB2 40 HIS HD2 4.36 (#peak 434 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 434, nxpk= 0, iat= 618, 627, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 40 HIS HB2 42 HIS HD2 5.98 (#peak 435 #SUP 0.68 #QF 0.44;)
&rst
ixpk= 435, nxpk= 0, iat= 618, 668, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 41 TRP QB 42 HIS HD2 6.16 (#peak 435 #SUP 0.68 #QF 0.44;)
&rst
ixpk= 435, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 635, 636,
&end
#
# 9 ARG H 9 ARG QD 5.39 (#peak 441 #SUP 1.00;)
&rst
ixpk= 441, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 123, 124,
&end
#
# 41 TRP QB 41 TRP HE3 4.19 (#peak 442 #SUP 0.89 #QF 0.24;)
&rst
ixpk= 442, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 635, 636,
&end
#
# 71 CYZN HB2 72 GLY H 4.19 (#peak 450 #SUP 0.38 #QF 0.38;)
&rst
ixpk= 450, nxpk= 0, iat=1130,1135, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 40 HIS HB3 41 TRP H 4.69 (#peak 456 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 456, nxpk= 0, iat= 619, 631, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 40 HIS HB3 42 HIS HD2 5.50 (#peak 459 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 459, nxpk= 0, iat= 619, 668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 PHE QD 27 LYS QE 5.19 (#peak 462 #SUP 0.46 #QF 0.46;)
&rst
ixpk= 462, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 399, 407,
igr2= 424, 425,
&end
#
# 67 HIS HB3 68 CYZN H 4.47 (#peak 465 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 465, nxpk= 0, iat=1078,1090, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 32 CYZN HB3 39 PHE QE 4.56 (#peak 469 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 469, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 604, 608,
&end
#
# 32 CYZN HB3 39 PHE HZ 4.44 (#peak 471 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 471, nxpk= 0, iat= 502, 606, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 67 HIS HB3 74 PHE QD 5.25 (#peak 472 #SUP 0.99 #QF 0.98;)
&rst
ixpk= 472, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1169,1177,
&end
#
# 32 CYZN HB3 39 PHE QD 5.13 (#peak 474 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 474, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 602, 610,
&end
#
# 55 ASN HB3 76 TRP HZ3 4.66 (#peak 475 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 475, nxpk= 0, iat= 864,1220, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 55 ASN HB3 76 TRP HH2 4.86 (#peak 476 #SUP 0.94 #QF 0.69;)
&rst
ixpk= 476, nxpk= 0, iat= 864,1218, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 83 LYS QE 84 GLU H 5.21 (#peak 479 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 479, nxpk= 0, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1338,1339,
&end
#
# 22 LYS H 22 LYS QE 5.91 (#peak 480 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 480, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 330, 331,
&end
#
# 29 LYS H 32 CYZN HB2 5.47 (#peak 481 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 481, nxpk= 0, iat= 447, 503, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 32 CYZN HB2 39 PHE QE 4.22 (#peak 482 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 482, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 604, 608,
&end
#
# 32 CYZN HB2 39 PHE HZ 5.28 (#peak 483 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 483, nxpk= 0, iat= 503, 606, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 32 CYZN HB2 39 PHE QD 5.45 (#peak 485 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 485, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 602, 610,
&end
#
# 13 CYS H 13 CYS HB3 4.46 (#peak 491 #SUP 0.97 #QF 0.84;)
&rst
ixpk= 491, nxpk= 0, iat= 180, 185, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 49 PHE HB3 76 TRP HE3 3.89 (#peak 492 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 492, nxpk= 0, iat= 780,1222, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 50 LYS QE 55 ASN H 6.16 (#peak 495 #SUP 0.98 #QF 0.71;)
&rst
ixpk= 495, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 808, 809,
&end
#
# 68 CYZN HB3 73 LEU H 3.70 (#peak 497 #SUP 0.66 #QF 0.66;)
&rst
ixpk= 497, nxpk= 0, iat=1094,1142, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 67 HIS HB2 68 CYZN H 4.31 (#peak 501 #SUP 1.00 #QF 0.91;)
&rst
ixpk= 501, nxpk= 0, iat=1077,1090, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 33 VAL H 37 HIZ+ HB2 5.97 (#peak 504 #SUP 0.92 #QF 0.55;)
&rst
ixpk= 504, nxpk= 0, iat= 508, 568, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 67 HIS HB2 74 PHE QD 6.16 (#peak 504 #SUP 0.92 #QF 0.55;)
&rst
ixpk= 504, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=1169,1177,
&end
#
# 25 HIS HB2 26 PHE H 4.45 (#peak 509 #SUP 1.00 #QF 0.88;)
&rst
ixpk= 509, nxpk= 0, iat= 378, 391, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 37 HIZ+ HB2 39 PHE QE 4.85 (#peak 511 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 511, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 604, 608,
&end
#
# 37 HIZ+ HB2 39 PHE QD 4.36 (#peak 513 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 513, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 602, 610,
&end
#
# 23 TYR QD 25 HIS HB2 4.01 (#peak 515 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 515, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 347, 356,
&end
#
# 49 PHE QD 76 TRP HB3 3.58 (#peak 525 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 525, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 783, 791,
&end
#
# 76 TRP HB3 76 TRP HD1 4.23 (#peak 526 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 526, nxpk= 0, iat=1208,1211, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 23 TYR HB3 25 HIS HD2 5.88 (#peak 531 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 531, nxpk= 0, iat= 344, 387, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 26 PHE QE 46 LYS HE2 5.48 (#peak 532 #SUP 0.99 #QF 0.92;)
&rst
ixpk= 532, nxpk= 0, iat= -1, 722, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 401, 405,
&end
#
# 19 LYS H 19 LYS QE 6.01 (#peak 539 #SUP 0.74 #QF 0.51;)
&rst
ixpk= 539, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2= 284, 285,
&end
#
# 26 PHE H 26 PHE HB3 4.57 (#peak 542 #SUP 1.00 #QF 0.60;)
&rst
ixpk= 542, nxpk= 0, iat= 391, 396, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 39 PHE HB2 41 TRP HD1 5.30 (#peak 544 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 544, nxpk= 0, iat= 598, 639, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 36 ASN HB2 37 HIZ+ H 4.98 (#peak 555 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 555, nxpk= 0, iat= 554, 564, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 51 CYZN HB3 76 TRP HE3 6.06 (#peak 563 #SUP 0.98 #QF 0.73;)
&rst
ixpk= 563, nxpk= 0, iat= 822,1222, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 51 CYZN HB3 76 TRP HH2 6.16 (#peak 563 #SUP 0.98 #QF 0.73;)
&rst
ixpk= 563, nxpk= 0, iat= 822,1218, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 23 TYR HB2 25 HIS HD2 5.31 (#peak 564 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 564, nxpk= 0, iat= 343, 387, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 21 CYZN HB2 23 TYR QE 3.81 (#peak 567 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 567, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 349, 354,
&end
#
# 21 CYZN HB2 23 TYR QD 3.36 (#peak 568 #SUP 1.00 #QF 0.96;)
&rst
ixpk= 568, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 347, 356,
&end
#
# 26 PHE QD 46 LYS HE3 5.40 (#peak 580 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 580, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 399, 407,
&end
#
# 26 PHE QE 46 LYS HE3 5.48 (#peak 581 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 581, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 401, 405,
&end
#
# 32 CYZN HA 37 HIZ+ HE1 5.29 (#peak 584 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 584, nxpk= 0, iat= 500, 576, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 32 CYZN HA 35 GLU H 4.20 (#peak 586 #SUP 0.44 #QF 0.44;)
&rst
ixpk= 586, nxpk= 0, iat= 500, 535, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 32 CYZN HA 39 PHE QE 5.10 (#peak 588 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 588, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 604, 608,
&end
#
# 32 CYZN HA 39 PHE HZ 5.82 (#peak 589 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 589, nxpk= 0, iat= 500, 606, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 32 CYZN HA 39 PHE QD 6.15 (#peak 591 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 591, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 602, 610,
&end
#
# 32 CYZN HA 37 HIZ+ HD2 5.22 (#peak 592 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 592, nxpk= 0, iat= 500, 575, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 23 TYR QE 29 LYS HE2 6.16 (#peak 594 #SUP 0.86 #QF 0.52;)
&rst
ixpk= 594, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 349, 354,
&end
#
# 23 TYR QE 29 LYS HE3 6.16 (#peak 594 #SUP 0.86 #QF 0.52;)
&rst
ixpk= 594, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 349, 354,
&end
#
# 5 MET H 5 MET HG2 5.32 (#peak 596 #SUP 0.70 #QF 0.70;)
&rst
ixpk= 596, nxpk= 0, iat= 49, 56, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 76 TRP HB2 76 TRP HD1 3.86 (#peak 600 #SUP 1.00;)
&rst
ixpk= 600, nxpk= 0, iat=1207,1211, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 53 CYZN H 71 CYZN HB3 6.16 (#peak 602 #SUP 0.98 #QF 0.81;)
&rst
ixpk= 602, nxpk= 0, iat= 842,1129, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 71 CYZN HB3 73 LEU H 6.16 (#peak 602 #SUP 0.98 #QF 0.81;)
&rst
ixpk= 602, nxpk= 0, iat=1129,1142, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 61 ASP HB3 63 LEU H 4.31 (#peak 608 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 608, nxpk= 0, iat= 965, 996, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 20 THR H 38 ASP HB3 5.87 (#peak 610 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 610, nxpk= 0, iat= 293, 587, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 52 PRO HB2 53 CYZN H 5.10 (#peak 630 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 630, nxpk= 0, iat= 835, 842, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 35 GLU HB3 37 HIZ+ HE1 6.16 (#peak 632 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 632, nxpk= 0, iat= 540, 576, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 35 GLU HB3 37 HIZ+ HD2 3.57 (#peak 635 #SUP 0.95 #QF 0.53;)
&rst
ixpk= 635, nxpk= 0, iat= 540, 575, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 18 CYZN HB2 39 PHE QD 4.67 (#peak 641 #SUP 1.00;)
&rst
ixpk= 641, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 602, 610,
&end
#
# 18 CYZN HB2 23 TYR QE 4.46 (#peak 642 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 642, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 349, 354,
&end
#
# 18 CYZN HB2 23 TYR QD 4.89 (#peak 643 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 643, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 347, 356,
&end
#
# 51 CYZN HB2 76 TRP HE3 5.51 (#peak 648 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 648, nxpk= 0, iat= 821,1222, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 51 CYZN HB2 76 TRP HH2 5.84 (#peak 648 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 648, nxpk= 0, iat= 821,1218, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 51 CYZN HB2 54 GLY H 5.32 (#peak 649 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 649, nxpk= 0, iat= 821, 852, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 33 VAL HB 39 PHE QE 6.16 (#peak 657 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 657, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2= 604, 608,
&end
#
# 33 VAL HB 34 SER H 3.46 (#peak 660 #SUP 1.00;)
&rst
ixpk= 660, nxpk= 0, iat= 512, 524, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 64 PRO HD2 76 TRP HE1 5.81 (#peak 666 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 666, nxpk= 0, iat=1016,1213, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 64 PRO HD2 74 PHE HZ 5.26 (#peak 667 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 667, nxpk= 0, iat=1016,1173, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 64 PRO HD2 76 TRP HD1 4.36 (#peak 669 #SUP 1.00;)
&rst
ixpk= 669, nxpk= 0, iat=1016,1211, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 81 MET QG 83 LYS H 6.16 (#peak 670 #SUP 1.00 #QF 0.94;)
&rst
ixpk= 670, nxpk= 0, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=1296,1297,
&end
#
# 83 LYS H 84 GLU QG 6.16 (#peak 670 #SUP 1.00 #QF 0.94;)
&rst
ixpk= 670, nxpk= 0, iat=1325, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=1354,1355,
&end
#
# 49 PHE HZ 64 PRO HD2 5.76 (#peak 673 #SUP 0.78 #QF 0.49;)
&rst
ixpk= 673, nxpk= 0, iat= 787,1016, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 64 PRO HD2 74 PHE QE 6.05 (#peak 673 #SUP 0.78 #QF 0.49;)
&rst
ixpk= 673, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1171,1175,
&end
#
# 49 PHE HB2 76 TRP HE3 4.02 (#peak 674 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 674, nxpk= 0, iat= 779,1222, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 49 PHE HB2 57 THR H 5.21 (#peak 676 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 676, nxpk= 0, iat= 779, 897, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 11 GLN QB 48 PHE HZ 5.79 (#peak 677 #SUP 0.83 #QF 0.31;)
&rst
ixpk= 677, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 156, 157,
&end
#
# 56 ARG H 56 ARG HB3 4.49 (#peak 689 #SUP 1.00;)
&rst
ixpk= 689, nxpk= 0, iat= 873, 878, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 50 LYS H 77 GLU HB2 5.48 (#peak 695 #SUP 1.00;)
&rst
ixpk= 695, nxpk= 0, iat= 795,1231, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 29 LYS HB3 32 CYZN H 4.36 (#peak 705 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 705, nxpk= 0, iat= 452, 498, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 18 CYZN HB3 39 PHE QD 5.25 (#peak 708 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 708, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 602, 610,
&end
#
# 10 GLU HB2 46 LYS H 4.65 (#peak 711 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 711, nxpk= 0, iat= 141, 709, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 18 CYZN HB3 20 THR H 5.39 (#peak 714 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 714, nxpk= 0, iat= 265, 293, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 18 CYZN HB3 39 PHE QE 6.16 (#peak 715 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 715, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2= 604, 608,
&end
#
# 10 GLU HB2 48 PHE QE 5.45 (#peak 717 #SUP 0.66 #QF 0.66;)
&rst
ixpk= 717, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 765, 769,
&end
#
# 18 CYZN HB3 23 TYR QE 4.41 (#peak 719 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 719, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 349, 354,
&end
#
# 18 CYZN HB3 23 TYR QD 4.58 (#peak 720 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 720, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 347, 356,
&end
#
# 84 GLU H 84 GLU HB2 4.26 (#peak 722 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 722, nxpk= 0, iat=1347,1351, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 48 PHE QD 81 MET QE 6.16 (#peak 728 #SUP 0.60 #QF 0.22;)
&rst
ixpk= 728, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 763, 771,
igr2=1300,1301,1302,
&end
#
# 48 PHE QE 81 MET QE 5.40 (#peak 729 #SUP 0.82 #QF 0.74;)
&rst
ixpk= 729, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 765, 769,
igr2=1300,1301,1302,
&end
#
# 48 PHE HZ 81 MET QE 5.99 (#peak 729 #SUP 0.82 #QF 0.74;)
&rst
ixpk= 729, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=1300,1301,1302,
&end
#
# 65 LYS QB 66 LYS H 4.56 (#peak 732 #SUP 1.00;)
&rst
ixpk= 732, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1033,1034,
&end
#
# 75 LYS HB2 76 TRP H 4.87 (#peak 734 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 734, nxpk= 0, iat=1185,1203, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 27 LYS QB 41 TRP HH2 5.12 (#peak 740 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 740, nxpk= 0, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 415, 416,
&end
#
# 66 LYS HB3 67 HIS H 5.11 (#peak 742 #SUP 0.64 #QF 0.64;)
&rst
ixpk= 742, nxpk= 0, iat=1056,1073, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 10 GLU HB3 47 ARG HE 6.16 (#peak 746 #SUP 0.93 #QF 0.79;)
&rst
ixpk= 746, nxpk= 0, iat= 142, 744, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 26 PHE QD 27 LYS QB 6.16 (#peak 746 #SUP 0.93 #QF 0.79;)
&rst
ixpk= 746, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 399, 407,
igr2= 415, 416,
&end
#
# 85 LYS QB 86 THR H 4.59 (#peak 748 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 748, nxpk= 0, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1366,1367,
&end
#
# 14 ARG HB2 14 ARG HE 5.72 (#peak 758 #SUP 0.97 #QF 0.46;)
&rst
ixpk= 758, nxpk= 0, iat= 195, 204, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 56 ARG HB2 57 THR H 4.58 (#peak 761 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 761, nxpk= 0, iat= 877, 897, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 56 ARG H 56 ARG HB2 4.01 (#peak 762 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 762, nxpk= 0, iat= 873, 877, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 62 ARG QB 63 LEU H 4.40 (#peak 763 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 763, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 976, 977,
&end
#
# 49 PHE QD 78 ARG HB3 5.61 (#peak 764 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 764, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 783, 791,
&end
#
# 28 PRO HG2 39 PHE QE 5.80 (#peak 767 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 767, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 604, 608,
&end
#
# 28 PRO HG2 41 TRP HZ2 4.49 (#peak 768 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 768, nxpk= 0, iat= 437, 644, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 27 LYS H 27 LYS QD 4.41 (#peak 773 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 773, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 421, 422,
&end
#
# 14 ARG QG 41 TRP HE3 3.73 (#peak 774 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 774, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 198, 199,
&end
#
# 27 LYS QD 41 TRP HH2 6.10 (#peak 775 #SUP 0.95 #QF 0.33;)
&rst
ixpk= 775, nxpk= 0, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 421, 422,
&end
#
# 28 PRO HG2 41 TRP HH2 5.96 (#peak 775 #SUP 0.95 #QF 0.33;)
&rst
ixpk= 775, nxpk= 0, iat= 437, 646, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 14 ARG QG 14 ARG HE 4.66 (#peak 776 #SUP 0.87 #QF 0.55;)
&rst
ixpk= 776, nxpk= 0, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 198, 199,
&end
#
# 14 ARG QG 43 ASN HD22 5.84 (#peak 776 #SUP 0.87 #QF 0.55;)
&rst
ixpk= 776, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 198, 199,
&end
#
# 83 LYS H 83 LYS QD 3.98 (#peak 779 #SUP 0.39 #QF 0.22;)
&rst
ixpk= 779, nxpk= 0, iat=1325, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1335,1336,
&end
#
# 9 ARG H 9 ARG HB3 4.23 (#peak 785 #SUP 0.94 #QF 0.73;)
&rst
ixpk= 785, nxpk= 0, iat= 113, 118, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 50 LYS QB 79 VAL H 5.51 (#peak 787 #SUP 1.00;)
&rst
ixpk= 787, nxpk= 0, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 799, 800,
&end
#
# 50 LYS QB 76 TRP HZ3 5.52 (#peak 789 #SUP 1.00;)
&rst
ixpk= 789, nxpk= 0, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 799, 800,
&end
#
# 66 LYS QD 76 TRP HE1 4.66 (#peak 790 #SUP 0.79 #QF 0.79;)
&rst
ixpk= 790, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1061,1062,
&end
#
# 50 LYS QB 51 CYZN H 4.24 (#peak 791 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 791, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 799, 800,
&end
#
# 47 ARG HB2 49 PHE HZ 4.35 (#peak 794 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 794, nxpk= 0, iat= 735, 787, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 66 LYS QD 76 TRP HZ2 4.98 (#peak 795 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 795, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1061,1062,
&end
#
# 47 ARG HB2 49 PHE QE 3.80 (#peak 796 #SUP 0.99 #QF 0.97;)
&rst
ixpk= 796, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 785, 789,
&end
#
# 48 PHE QE 81 MET HB2 6.16 (#peak 797 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 797, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 765, 769,
&end
#
# 47 ARG HB2 49 PHE QD 4.80 (#peak 798 #SUP 0.91 #QF 0.28;)
&rst
ixpk= 798, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 783, 791,
&end
#
# 49 PHE QD 78 ARG HB2 5.00 (#peak 798 #SUP 0.91 #QF 0.28;)
&rst
ixpk= 798, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 783, 791,
&end
#
# 22 LYS HB3 23 TYR H 4.96 (#peak 805 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 805, nxpk= 0, iat= 322, 339, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 46 LYS H 46 LYS HB2 4.26 (#peak 813 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 813, nxpk= 0, iat= 709, 713, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 46 LYS HB2 60 LEU H 5.71 (#peak 814 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 814, nxpk= 0, iat= 713, 941, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 26 PHE QD 46 LYS HB2 4.77 (#peak 816 #SUP 1.00;)
&rst
ixpk= 816, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 399, 407,
&end
#
# 9 ARG HG2 81 MET H 5.71 (#peak 818 #SUP 0.79 #QF 0.46;)
&rst
ixpk= 818, nxpk= 0, iat= 120,1289, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 82 LEU H 82 LEU HG 5.99 (#peak 818 #SUP 0.79 #QF 0.46;)
&rst
ixpk= 818, nxpk= 0, iat=1306,1313, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 9 ARG HG2 10 GLU H 5.23 (#peak 819 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 819, nxpk= 0, iat= 120, 137, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 35 GLU HB2 37 HIZ+ HD2 3.86 (#peak 823 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 823, nxpk= 0, iat= 539, 575, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 23 TYR QE 29 LYS QD 5.35 (#peak 824 #SUP 0.75 #QF 0.75;)
&rst
ixpk= 824, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 349, 354,
igr2= 457, 458,
&end
#
# 46 LYS HB2 47 ARG H 4.80 (#peak 825 #SUP 0.39 #QF 0.39;)
&rst
ixpk= 825, nxpk= 0, iat= 713, 731, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 46 LYS QD 48 PHE HZ 4.31 (#peak 826 #SUP 0.61 #QF 0.61;)
&rst
ixpk= 826, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 719, 720,
&end
#
# 19 LYS QD 40 HIS HD2 5.89 (#peak 828 #SUP 0.75 #QF 0.22;)
&rst
ixpk= 828, nxpk= 0, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 281, 282,
&end
#
# 63 LEU HG 74 PHE QE 4.27 (#peak 831 #SUP 0.49 #QF 0.49;)
&rst
ixpk= 831, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1171,1175,
&end
#
# 63 LEU HG 74 PHE HZ 4.89 (#peak 833 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 833, nxpk= 0, iat=1003,1173, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 63 LEU HG 76 TRP HD1 5.73 (#peak 835 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 835, nxpk= 0, iat=1003,1211, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 22 LYS QD 23 TYR QD 6.16 (#peak 836 #SUP 0.45 #QF 0.45;)
&rst
ixpk= 836, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 327, 328,
igr2= 347, 356,
&end
#
# 50 LYS HG3 54 GLY H 5.26 (#peak 838 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 838, nxpk= 0, iat= 803, 852, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 48 PHE QD 81 MET HB3 6.04 (#peak 842 #SUP 0.83 #QF 0.76;)
&rst
ixpk= 842, nxpk= 0, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 763, 771,
&end
#
# 9 ARG HG3 48 PHE QE 6.16 (#peak 843 #SUP 0.95 #QF 0.36;)
&rst
ixpk= 843, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2= 765, 769,
&end
#
# 48 PHE QE 81 MET HB3 6.16 (#peak 843 #SUP 0.95 #QF 0.36;)
&rst
ixpk= 843, nxpk= 0, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 765, 769,
&end
#
# 26 PHE QE 58 ILE HB 5.30 (#peak 844 #SUP 0.65 #QF 0.65;)
&rst
ixpk= 844, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 401, 405,
&end
#
# 9 ARG HG3 81 MET H 4.74 (#peak 848 #SUP 0.94 #QF 0.50;)
&rst
ixpk= 848, nxpk= 0, iat= 121,1289, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 45 VAL H 46 LYS HB3 6.16 (#peak 855 #SUP 0.70 #QF 0.70;)
&rst
ixpk= 855, nxpk= 0, iat= 693, 714, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 9 ARG HG3 10 GLU H 4.91 (#peak 857 #SUP 0.73 #QF 0.73;)
&rst
ixpk= 857, nxpk= 0, iat= 121, 137, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 26 PHE QD 46 LYS HB3 4.37 (#peak 859 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 859, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 399, 407,
&end
#
# 26 PHE QE 46 LYS HB3 5.33 (#peak 863 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 863, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 401, 405,
&end
#
# 82 LEU QB 84 GLU H 5.07 (#peak 864 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 864, nxpk= 0, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1310,1311,
&end
#
# 65 LYS H 66 LYS HG3 4.42 (#peak 865 #SUP 0.97 #QF 0.72;)
&rst
ixpk= 865, nxpk= 0, iat=1029,1059, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 66 LYS HG3 76 TRP HZ2 6.04 (#peak 868 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 868, nxpk= 0, iat=1059,1216, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 9 ARG HG3 48 PHE QD 4.54 (#peak 869 #SUP 0.30 #QF 0.30;)
&rst
ixpk= 869, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 763, 771,
&end
#
# 19 LYS HG2 40 HIS HD2 6.16 (#peak 876 #SUP 0.91 #QF 0.84;)
&rst
ixpk= 876, nxpk= 0, iat= 278, 627, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 26 PHE QE 60 LEU HB2 6.16 (#peak 876 #SUP 0.91 #QF 0.84;)
&rst
ixpk= 876, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 401, 405,
&end
#
# 28 PRO HB2 29 LYS H 4.67 (#peak 878 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 878, nxpk= 0, iat= 440, 447, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 28 PRO HG3 39 PHE QE 5.49 (#peak 879 #SUP 0.99 #QF 0.96;)
&rst
ixpk= 879, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 604, 608,
&end
#
# 23 TYR QE 28 PRO HB2 6.16 (#peak 880 #SUP 1.00 #QF 0.80;)
&rst
ixpk= 880, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 349, 354,
&end
#
# 47 ARG QG 49 PHE QD 6.16 (#peak 880 #SUP 1.00 #QF 0.80;)
&rst
ixpk= 880, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 738, 739,
igr2= 783, 791,
&end
#
# 60 LEU H 60 LEU HB3 4.32 (#peak 881 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 881, nxpk= 0, iat= 941, 946, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 28 PRO HB2 39 PHE HZ 5.03 (#peak 883 #SUP 0.97 #QF 0.69;)
&rst
ixpk= 883, nxpk= 0, iat= 440, 606, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 47 ARG HB3 59 SER H 5.94 (#peak 886 #SUP 0.85 #QF 0.37;)
&rst
ixpk= 886, nxpk= 0, iat= 736, 930, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 28 PRO HG3 41 TRP HZ2 4.33 (#peak 891 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 891, nxpk= 0, iat= 438, 644, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 47 ARG QG 47 ARG HE 4.54 (#peak 892 #SUP 0.92 #QF 0.43;)
&rst
ixpk= 892, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 738, 739,
&end
#
# 47 ARG QG 49 PHE HZ 4.91 (#peak 892 #SUP 0.92 #QF 0.43;)
&rst
ixpk= 892, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 738, 739,
&end
#
# 28 PRO HG3 41 TRP HH2 5.13 (#peak 893 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 893, nxpk= 0, iat= 438, 646, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 26 PHE QE 58 ILE HG12 6.16 (#peak 895 #SUP 0.92 #QF 0.87;)
&rst
ixpk= 895, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 401, 405,
&end
#
# 26 PHE QE 60 LEU HB3 6.16 (#peak 895 #SUP 0.92 #QF 0.87;)
&rst
ixpk= 895, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 401, 405,
&end
#
# 28 PRO HG3 39 PHE QD 5.23 (#peak 896 #SUP 1.00;)
&rst
ixpk= 896, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 602, 610,
&end
#
# 47 ARG HB3 49 PHE HZ 4.51 (#peak 900 #SUP 0.89 #QF 0.75;)
&rst
ixpk= 900, nxpk= 0, iat= 736, 787, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 63 LEU QB 74 PHE QE 5.08 (#peak 900 #SUP 0.89 #QF 0.75;)
&rst
ixpk= 900, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1000,1001,
igr2=1171,1175,
&end
#
# 19 LYS HG3 20 THR H 6.10 (#peak 901 #SUP 0.35 #QF 0.35;)
&rst
ixpk= 901, nxpk= 0, iat= 279, 293, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 63 LEU QB 76 TRP HD1 6.16 (#peak 904 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 904, nxpk= 0, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=1000,1001,
&end
#
# 19 LYS HG3 40 HIS HD2 6.04 (#peak 908 #SUP 0.60 #QF 0.60;)
&rst
ixpk= 908, nxpk= 0, iat= 279, 627, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 11 GLN H 46 LYS HG2 5.49 (#peak 921 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 921, nxpk= 0, iat= 152, 716, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 60 LEU HG 61 ASP H 6.16 (#peak 922 #SUP 0.97 #QF 0.95;)
&rst
ixpk= 922, nxpk= 0, iat= 948, 960, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 61 ASP H 64 PRO HD3 6.16 (#peak 922 #SUP 0.97 #QF 0.95;)
&rst
ixpk= 922, nxpk= 0, iat= 960,1017, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 46 LYS HG2 47 ARG H 4.97 (#peak 923 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 923, nxpk= 0, iat= 716, 731, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 49 PHE QE 64 PRO HD3 4.35 (#peak 925 #SUP 1.00;)
&rst
ixpk= 925, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 785, 789,
&end
#
# 26 PHE QE 60 LEU HG 5.13 (#peak 926 #SUP 0.95 #QF 0.49;)
&rst
ixpk= 926, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 401, 405,
&end
#
# 49 PHE QD 64 PRO HD3 4.39 (#peak 927 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 927, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 783, 791,
&end
#
# 28 PRO HB3 29 LYS H 4.72 (#peak 929 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 929, nxpk= 0, iat= 441, 447, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 28 PRO HB3 39 PHE QE 4.68 (#peak 930 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 930, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 604, 608,
&end
#
# 28 PRO HB3 39 PHE HZ 5.05 (#peak 931 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 931, nxpk= 0, iat= 441, 606, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 28 PRO HB3 39 PHE QD 5.28 (#peak 932 #SUP 1.00;)
&rst
ixpk= 932, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 602, 610,
&end
#
# 30 GLU H 31 THR QG2 5.28 (#peak 933 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 933, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 490, 491, 492,
&end
#
# 31 THR H 31 THR QG2 3.88 (#peak 935 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 935, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 490, 491, 492,
&end
#
# 22 LYS QG 23 TYR H 5.23 (#peak 938 #SUP 0.83 #QF 0.83;)
&rst
ixpk= 938, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 324, 325,
&end
#
# 86 THR H 86 THR QG2 4.63 (#peak 942 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 942, nxpk= 0, iat=1384, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1390,1391,1392,
&end
#
# 55 ASN HD21 70 THR QG2 5.49 (#peak 947 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 947, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1117,1118,1119,
&end
#
# 75 LYS HB3 76 TRP H 5.08 (#peak 951 #SUP 1.00;)
&rst
ixpk= 951, nxpk= 0, iat=1186,1203, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 46 LYS HG3 48 PHE QD 5.58 (#peak 952 #SUP 0.87 #QF 0.78;)
&rst
ixpk= 952, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 763, 771,
&end
#
# 26 PHE QD 46 LYS HG3 5.60 (#peak 955 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 955, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 399, 407,
&end
#
# 26 PHE QE 46 LYS HG3 4.97 (#peak 956 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 956, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 401, 405,
&end
#
# 46 LYS HG3 48 PHE HZ 5.07 (#peak 960 #SUP 1.00;)
&rst
ixpk= 960, nxpk= 0, iat= 717, 767, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 46 LYS HG3 48 PHE QE 3.99 (#peak 961 #SUP 0.45 #QF 0.45;)
&rst
ixpk= 961, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 765, 769,
&end
#
# 64 PRO HB2 74 PHE QE 4.68 (#peak 970 #SUP 0.97 #QF 0.94;)
&rst
ixpk= 970, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1171,1175,
&end
#
# 64 PRO HB2 74 PHE QD 6.16 (#peak 972 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 972, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=1169,1177,
&end
#
# 63 LEU QD2 76 TRP HD1 4.93 (#peak 974 #SUP 1.00;)
&rst
ixpk= 974, nxpk= 0, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1009,1010,1011,
&end
#
# 17 THR H 24 THR QG2 5.49 (#peak 976 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 976, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 366, 367, 368,
&end
#
# 24 THR QG2 42 HIS HD2 5.12 (#peak 978 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 978, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 366, 367, 368,
&end
#
# 24 THR H 24 THR QG2 4.50 (#peak 981 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 981, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 366, 367, 368,
&end
#
# 63 LEU QD1 76 TRP HD1 4.93 (#peak 983 #SUP 1.00;)
&rst
ixpk= 983, nxpk= 0, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1005,1006,1007,
&end
#
# 33 VAL QG1 34 SER H 4.41 (#peak 984 #SUP 1.00;)
&rst
ixpk= 984, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 514, 515, 516,
&end
#
# 63 LEU QD1 74 PHE HZ 5.39 (#peak 986 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 986, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1005,1006,1007,
&end
#
# 33 VAL QG1 39 PHE QE 4.52 (#peak 987 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 987, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 514, 515, 516,
igr2= 604, 608,
&end
#
# 33 VAL QG1 39 PHE HZ 3.82 (#peak 990 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 990, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 514, 515, 516,
&end
#
# 33 VAL H 33 VAL QG1 4.31 (#peak 991 #SUP 1.00;)
&rst
ixpk= 991, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 514, 515, 516,
&end
#
# 26 PHE QE 58 ILE HG13 6.16 (#peak 995 #SUP 0.38 #QF 0.38;)
&rst
ixpk= 995, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 401, 405,
&end
#
# 17 THR QG2 19 LYS H 4.95 (#peak 996 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 996, nxpk= 0, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 253, 254, 255,
&end
#
# 17 THR QG2 25 HIS H 6.16 (#peak 997 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 997, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 253, 254, 255,
&end
#
# 90 LEU H 90 LEU QQD 4.79 (#peak 999 #SUP 0.97 #QF 0.90;)
&rst
ixpk= 999, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=1450,1451,1452,1454,1455,1456,
&end
#
# 17 THR QG2 42 HIS HD2 5.69 (#peak 1003 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1003, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 253, 254, 255,
&end
#
# 58 ILE H 58 ILE HG13 4.63 (#peak 1006 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1006, nxpk= 0, iat= 911, 922, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 48 PHE QD 58 ILE HG13 4.41 (#peak 1011 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 1011, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 763, 771,
&end
#
# 50 LYS HA 79 VAL QG1 5.30 (#peak 1013 #SUP 1.00;)
&rst
ixpk= 1013, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1272,1273,1274,
&end
#
# 48 PHE QE 82 LEU QQD 4.50 (#peak 1017 #SUP 0.23 #QF 0.23;)
&rst
ixpk= 1017, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 765, 769,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 8 ILE QD1 9 ARG H 5.86 (#peak 1027 #SUP 0.98 #QF 0.22;)
&rst
ixpk= 1027, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 107, 108, 109,
&end
#
# 7 SER H 8 ILE QD1 5.56 (#peak 1029 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 1029, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2= 107, 108, 109,
&end
#
# 8 ILE QD1 10 GLU H 5.86 (#peak 1031 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1031, nxpk= 0, iat= -1, 137, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 107, 108, 109,
&end
#
# 48 PHE QD 82 LEU QQD 4.93 (#peak 1035 #SUP 0.39 #QF 0.39;)
&rst
ixpk= 1035, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1= 763, 771,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 79 VAL QG2 80 GLY H 4.14 (#peak 1043 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1043, nxpk= 0, iat= -1,1282, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1276,1277,1278,
&end
#
# 48 PHE H 79 VAL QG2 5.42 (#peak 1045 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1045, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1276,1277,1278,
&end
#
# 48 PHE QD 79 VAL QG2 4.75 (#peak 1046 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 1046, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 763, 771,
igr2=1276,1277,1278,
&end
#
# 50 LYS HA 79 VAL QG2 5.06 (#peak 1048 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1048, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1276,1277,1278,
&end
#
# 48 PHE H 58 ILE QG2 5.69 (#peak 1052 #SUP 0.93 #QF 0.86;)
&rst
ixpk= 1052, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2= 917, 918, 919,
&end
#
# 48 PHE QE 58 ILE QG2 4.18 (#peak 1055 #SUP 0.97 #QF 0.88;)
&rst
ixpk= 1055, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 765, 769,
igr2= 917, 918, 919,
&end
#
# 48 PHE QE 58 ILE QD1 4.41 (#peak 1055 #SUP 0.97 #QF 0.88;)
&rst
ixpk= 1055, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 765, 769,
igr2= 924, 925, 926,
&end
#
# 26 PHE QE 58 ILE QG2 4.11 (#peak 1060 #SUP 0.93 #QF 0.90;)
&rst
ixpk= 1060, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 401, 405,
igr2= 917, 918, 919,
&end
#
# 49 PHE QD 58 ILE QG2 5.24 (#peak 1061 #SUP 1.00;)
&rst
ixpk= 1061, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 783, 791,
igr2= 917, 918, 919,
&end
#
# 20 THR QG2 37 HIZ+ HD2 4.33 (#peak 1065 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1065, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 299, 300, 301,
&end
#
# 15 VAL QG1 25 HIS H 5.23 (#peak 1066 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1066, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 221, 222, 223,
&end
#
# 15 VAL H 15 VAL QG1 3.74 (#peak 1068 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1068, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 221, 222, 223,
&end
#
# 13 CYS H 15 VAL QG1 5.40 (#peak 1069 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1069, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 221, 222, 223,
&end
#
# 15 VAL QG1 45 VAL H 4.65 (#peak 1070 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 1070, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 221, 222, 223,
&end
#
# 20 THR QG2 37 HIZ+ HE1 4.63 (#peak 1071 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1071, nxpk= 0, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 299, 300, 301,
&end
#
# 15 VAL QG1 26 PHE H 4.67 (#peak 1073 #SUP 0.86 #QF 0.86;)
&rst
ixpk= 1073, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 221, 222, 223,
&end
#
# 15 VAL QG1 41 TRP HE3 6.16 (#peak 1074 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1074, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 221, 222, 223,
&end
#
# 15 VAL QG1 26 PHE QD 3.40 (#peak 1075 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1075, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 221, 222, 223,
igr2= 399, 407,
&end
#
# 15 VAL QG1 41 TRP HZ3 5.81 (#peak 1076 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 1076, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 221, 222, 223,
&end
#
# 15 VAL QG1 26 PHE QE 5.23 (#peak 1077 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1077, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 221, 222, 223,
igr2= 401, 405,
&end
#
# 26 PHE QD 60 LEU QD1 4.33 (#peak 1084 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1084, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 399, 407,
igr2= 950, 951, 952,
&end
#
# 26 PHE QE 60 LEU QD1 4.85 (#peak 1085 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 1085, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 401, 405,
igr2= 950, 951, 952,
&end
#
# 60 LEU H 60 LEU QD2 4.41 (#peak 1087 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1087, nxpk= 0, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 954, 955, 956,
&end
#
# 49 PHE QE 64 PRO HG3 5.36 (#peak 1096 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1096, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 785, 789,
&end
#
# 64 PRO HG3 76 TRP HD1 5.23 (#peak 1098 #SUP 1.00;)
&rst
ixpk= 1098, nxpk= 0, iat=1020,1211, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 16 VAL QG1 39 PHE QE 5.97 (#peak 1105 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1105, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr1= 237, 238, 239,
igr2= 604, 608,
&end
#
# 16 VAL QG1 41 TRP HZ2 4.58 (#peak 1106 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1106, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 237, 238, 239,
&end
#
# 57 THR QG2 74 PHE QE 6.16 (#peak 1107 #SUP 0.47 #QF 0.47;)
&rst
ixpk= 1107, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 903, 904, 905,
igr2=1171,1175,
&end
#
# 16 VAL QG1 39 PHE QD 5.21 (#peak 1108 #SUP 1.00;)
&rst
ixpk= 1108, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 237, 238, 239,
igr2= 602, 610,
&end
#
# 16 VAL QG1 23 TYR QD 5.48 (#peak 1109 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1109, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 237, 238, 239,
igr2= 347, 356,
&end
#
# 57 THR QG2 76 TRP HE1 5.07 (#peak 1110 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1110, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 903, 904, 905,
&end
#
# 16 VAL QG1 40 HIS H 6.16 (#peak 1111 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1111, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 237, 238, 239,
&end
#
# 57 THR QG2 76 TRP HE3 4.18 (#peak 1117 #SUP 1.00 #QF 0.99;)
&rst
ixpk= 1117, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 903, 904, 905,
&end
#
# 57 THR QG2 76 TRP HZ3 4.12 (#peak 1119 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1119, nxpk= 0, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 903, 904, 905,
&end
#
# 49 PHE QD 57 THR QG2 3.44 (#peak 1120 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1120, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 783, 791,
igr2= 903, 904, 905,
&end
#
# 16 VAL QG1 17 THR HA 4.73 (#peak 1123 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 1123, nxpk= 0, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 237, 238, 239,
&end
#
# 15 VAL QG2 25 HIS H 5.45 (#peak 1125 #SUP 0.74 #QF 0.74;)
&rst
ixpk= 1125, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG2 45 VAL H 4.87 (#peak 1128 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1128, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG2 41 TRP HE3 5.43 (#peak 1131 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1131, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG2 42 HIS HD2 4.18 (#peak 1133 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1133, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG2 43 ASN HA 4.45 (#peak 1134 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1134, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 225, 226, 227,
&end
#
# 16 VAL H 16 VAL HB 4.48 (#peak 1135 #SUP 1.00;)
&rst
ixpk= 1135, nxpk= 0, iat= 231, 235, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 16 VAL HB 17 THR H 4.73 (#peak 1136 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1136, nxpk= 0, iat= 235, 247, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 16 VAL HB 41 TRP HE3 4.55 (#peak 1137 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1137, nxpk= 0, iat= 235, 650, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 16 VAL HB 41 TRP HZ2 5.04 (#peak 1138 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1138, nxpk= 0, iat= 235, 644, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 16 VAL HB 41 TRP HH2 5.15 (#peak 1139 #SUP 1.00;)
&rst
ixpk= 1139, nxpk= 0, iat= 235, 646, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 16 VAL HB 41 TRP HZ3 4.73 (#peak 1140 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1140, nxpk= 0, iat= 235, 648, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 16 VAL HB 39 PHE QD 5.61 (#peak 1141 #SUP 1.00;)
&rst
ixpk= 1141, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 602, 610,
&end
#
# 16 VAL QG2 41 TRP HE1 4.35 (#peak 1145 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1145, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 241, 242, 243,
&end
#
# 16 VAL QG2 25 HIS H 5.53 (#peak 1148 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1148, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 241, 242, 243,
&end
#
# 16 VAL QG2 40 HIS H 4.04 (#peak 1149 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1149, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 241, 242, 243,
&end
#
# 16 VAL H 16 VAL QG2 4.56 (#peak 1150 #SUP 1.00;)
&rst
ixpk= 1150, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 241, 242, 243,
&end
#
# 16 VAL QG2 17 THR H 3.68 (#peak 1151 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1151, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 241, 242, 243,
&end
#
# 16 VAL QG2 39 PHE H 5.29 (#peak 1153 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1153, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 241, 242, 243,
&end
#
# 16 VAL QG2 41 TRP HD1 4.55 (#peak 1154 #SUP 0.97 #QF 0.94;)
&rst
ixpk= 1154, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 241, 242, 243,
&end
#
# 64 PRO HG2 74 PHE HZ 4.87 (#peak 1154 #SUP 0.97 #QF 0.94;)
&rst
ixpk= 1154, nxpk= 0, iat=1019,1173, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 16 VAL QG2 39 PHE QE 4.39 (#peak 1155 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1155, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 241, 242, 243,
igr2= 604, 608,
&end
#
# 16 VAL QG2 41 TRP HZ2 4.45 (#peak 1156 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1156, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 241, 242, 243,
&end
#
# 16 VAL QG2 41 TRP HH2 5.80 (#peak 1157 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1157, nxpk= 0, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 241, 242, 243,
&end
#
# 64 PRO HG2 76 TRP HZ2 6.16 (#peak 1157 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1157, nxpk= 0, iat=1019,1216, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 16 VAL QG2 39 PHE QD 3.28 (#peak 1159 #SUP 1.00;)
&rst
ixpk= 1159, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 241, 242, 243,
igr2= 602, 610,
&end
#
# 16 VAL QG2 42 HIS HD2 5.29 (#peak 1160 #SUP 1.00;)
&rst
ixpk= 1160, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 241, 242, 243,
&end
#
# 16 VAL QG2 23 TYR QE 5.00 (#peak 1161 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 1161, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 241, 242, 243,
igr2= 349, 354,
&end
#
# 16 VAL QG2 23 TYR QD 6.16 (#peak 1162 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1162, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 241, 242, 243,
igr2= 347, 356,
&end
#
# 64 PRO HG2 76 TRP HD1 4.87 (#peak 1163 #SUP 1.00;)
&rst
ixpk= 1163, nxpk= 0, iat=1019,1211, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 16 VAL QG2 17 THR HA 4.41 (#peak 1165 #SUP 1.00 #QF 0.88;)
&rst
ixpk= 1165, nxpk= 0, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 241, 242, 243,
&end
#
# 39 PHE QE 41 TRP HE1 4.47 (#peak 1167 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 1167, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 604, 608,
&end
#
# 74 PHE QD 76 TRP HE1 3.99 (#peak 1175 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1175, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1169,1177,
&end
#
# 50 LYS H 76 TRP HE3 4.44 (#peak 1181 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1181, nxpk= 0, iat= 795,1222, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 49 PHE QD 50 LYS H 4.46 (#peak 1182 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1182, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 783, 791,
&end
#
# 42 HIS H 42 HIS HD2 4.07 (#peak 1193 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1193, nxpk= 0, iat= 655, 668, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 19 LYS H 39 PHE QD 4.83 (#peak 1198 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1198, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 602, 610,
&end
#
# 51 CYZN H 76 TRP HZ3 4.24 (#peak 1199 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1199, nxpk= 0, iat= 817,1220, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 41 TRP H 42 HIS H 5.07 (#peak 1205 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1205, nxpk= 0, iat= 631, 655, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 41 TRP H 41 TRP HD1 3.76 (#peak 1206 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 1206, nxpk= 0, iat= 631, 639, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 76 TRP HE3 77 GLU H 4.11 (#peak 1210 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1210, nxpk= 0, iat=1222,1227, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 23 TYR QE 25 HIS H 4.55 (#peak 1211 #SUP 0.95 #QF 0.43;)
&rst
ixpk= 1211, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 349, 354,
&end
#
# 25 HIS H 25 HIS HD2 5.39 (#peak 1214 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1214, nxpk= 0, iat= 374, 387, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 23 TYR QD 25 HIS H 4.18 (#peak 1215 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1215, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 347, 356,
&end
#
# 55 ASN H 55 ASN HD21 5.59 (#peak 1223 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1223, nxpk= 0, iat= 859, 868, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 49 PHE QE 78 ARG H 4.95 (#peak 1225 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1225, nxpk= 0, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 785, 789,
&end
#
# 49 PHE QD 78 ARG H 4.55 (#peak 1226 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1226, nxpk= 0, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 783, 791,
&end
#
# 67 HIS HD2 68 CYZN H 5.48 (#peak 1233 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1233, nxpk= 0, iat=1086,1090, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 15 VAL H 44 GLY H 4.91 (#peak 1236 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1236, nxpk= 0, iat= 215, 686, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 15 VAL H 41 TRP HE3 4.65 (#peak 1237 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1237, nxpk= 0, iat= 215, 650, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 21 CYZN H 23 TYR QE 5.22 (#peak 1242 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1242, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 349, 354,
&end
#
# 49 PHE QD 59 SER H 4.59 (#peak 1247 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1247, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 783, 791,
&end
#
# 19 LYS H 40 HIS H 5.36 (#peak 1248 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1248, nxpk= 0, iat= 271, 614, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 40 HIS H 40 HIS HD2 4.95 (#peak 1252 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1252, nxpk= 0, iat= 614, 627, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 40 HIS H 42 HIS HD2 5.87 (#peak 1254 #SUP 1.00;)
&rst
ixpk= 1254, nxpk= 0, iat= 614, 668, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 49 PHE H 49 PHE QE 5.64 (#peak 1265 #SUP 0.90 #QF 0.87;)
&rst
ixpk= 1265, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 785, 789,
&end
#
# 67 HIS HD2 74 PHE H 6.15 (#peak 1265 #SUP 0.90 #QF 0.87;)
&rst
ixpk= 1265, nxpk= 0, iat=1086,1161, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 49 PHE H 49 PHE QD 3.88 (#peak 1267 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1267, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 783, 791,
&end
#
# 13 CYS H 43 ASN HA 5.89 (#peak 1269 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 1269, nxpk= 0, iat= 180, 674, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 75 LYS H 76 TRP HD1 5.01 (#peak 1274 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1274, nxpk= 0, iat=1181,1211, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 49 PHE HZ 62 ARG H 5.43 (#peak 1280 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 1280, nxpk= 0, iat= 787, 972, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 24 THR H 25 HIS HD2 4.88 (#peak 1281 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1281, nxpk= 0, iat= 360, 387, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 23 TYR QE 24 THR H 5.42 (#peak 1283 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1283, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 349, 354,
&end
#
# 37 HIZ+ H 38 ASP H 5.26 (#peak 1297 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1297, nxpk= 0, iat= 564, 582, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 37 HIZ+ H 37 HIZ+ HD2 3.79 (#peak 1302 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1302, nxpk= 0, iat= 564, 575, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 16 VAL H 17 THR HA 5.91 (#peak 1303 #SUP 0.83 #QF 0.36;)
&rst
ixpk= 1303, nxpk= 0, iat= 231, 249, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 16 VAL H 41 TRP HA 6.16 (#peak 1303 #SUP 0.83 #QF 0.36;)
&rst
ixpk= 1303, nxpk= 0, iat= 231, 633, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 17 THR H 42 HIS HD2 4.22 (#peak 1310 #SUP 1.00;)
&rst
ixpk= 1310, nxpk= 0, iat= 247, 668, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 82 LEU H 83 LYS H 5.24 (#peak 1314 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1314, nxpk= 0, iat=1306,1325, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 65 LYS H 74 PHE QE 5.10 (#peak 1315 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 1315, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1171,1175,
&end
#
# 47 ARG H 49 PHE QE 4.93 (#peak 1316 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1316, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 785, 789,
&end
#
# 50 LYS H 79 VAL H 5.20 (#peak 1317 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1317, nxpk= 0, iat= 795,1266, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 8 ILE H 9 ARG H 5.04 (#peak 1321 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1321, nxpk= 0, iat= 94, 113, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 10 GLU H 11 GLN H 5.32 (#peak 1323 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1323, nxpk= 0, iat= 137, 152, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 10 GLU H 48 PHE QE 5.54 (#peak 1325 #SUP 0.90 #QF 0.24;)
&rst
ixpk= 1325, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 765, 769,
&end
#
# 48 PHE H 48 PHE QE 5.88 (#peak 1325 #SUP 0.90 #QF 0.24;)
&rst
ixpk= 1325, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2= 765, 769,
&end
#
# 48 PHE QD 82 LEU H 6.08 (#peak 1330 #SUP 0.87 #QF 0.79;)
&rst
ixpk= 1330, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 763, 771,
&end
#
# 18 CYZN H 23 TYR QD 4.96 (#peak 1342 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1342, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 347, 356,
&end
#
# 34 SER H 36 ASN H 4.96 (#peak 1351 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1351, nxpk= 0, iat= 524, 550, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 38 ASP H 39 PHE QE 5.69 (#peak 1353 #SUP 0.96 #QF 0.45;)
&rst
ixpk= 1353, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 604, 608,
&end
#
# 39 PHE H 39 PHE QD 4.02 (#peak 1355 #SUP 1.00;)
&rst
ixpk= 1355, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 602, 610,
&end
#
# 35 GLU H 37 HIZ+ HD2 5.64 (#peak 1361 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 1361, nxpk= 0, iat= 535, 575, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 35 GLU H 37 HIZ+ H 5.11 (#peak 1362 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1362, nxpk= 0, iat= 535, 564, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 36 ASN H 36 ASN HD21 5.14 (#peak 1369 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 1369, nxpk= 0, iat= 550, 559, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 26 PHE H 27 LYS H 3.95 (#peak 1370 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 1370, nxpk= 0, iat= 391, 411, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 74 PHE HZ 76 TRP HE1 6.16 (#peak 1374 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1374, nxpk= 0, iat=1173,1213, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 37 HIZ+ H 39 PHE QE 4.61 (#peak 1377 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1377, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 604, 608,
&end
#
# 39 PHE H 39 PHE QE 5.33 (#peak 1378 #SUP 0.77 #QF 0.77;)
&rst
ixpk= 1378, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 604, 608,
&end
#
# 39 PHE HA 39 PHE QE 6.08 (#peak 1379 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1379, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr2= 604, 608,
&end
#
# 74 PHE QE 76 TRP HE1 4.27 (#peak 1382 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1382, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1171,1175,
&end
#
# 26 PHE QD 60 LEU H 6.16 (#peak 1383 #SUP 0.95 #QF 0.48;)
&rst
ixpk= 1383, nxpk= 0, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 399, 407,
&end
#
# 74 PHE QE 75 LYS H 6.16 (#peak 1383 #SUP 0.95 #QF 0.48;)
&rst
ixpk= 1383, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=1171,1175,
&end
#
# 26 PHE H 26 PHE QD 3.94 (#peak 1386 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 1386, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 399, 407,
&end
#
# 26 PHE QD 27 LYS H 4.82 (#peak 1387 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1387, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 399, 407,
&end
#
# 74 PHE QE 76 TRP HD1 3.96 (#peak 1388 #SUP 1.00;)
&rst
ixpk= 1388, nxpk= 0, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1171,1175,
&end
#
# 66 LYS H 74 PHE QE 4.84 (#peak 1390 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1390, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1171,1175,
&end
#
# 68 CYZN H 76 TRP HZ2 4.96 (#peak 1396 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 1396, nxpk= 0, iat=1090,1216, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 49 PHE QE 60 LEU H 6.16 (#peak 1407 #SUP 1.00 #QF 0.96;)
&rst
ixpk= 1407, nxpk= 0, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 785, 789,
&end
#
# 68 CYZN H 74 PHE QD 4.88 (#peak 1428 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1428, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1169,1177,
&end
#
# 74 PHE QD 74 PHE HZ 4.28 (#peak 1430 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1430, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1169,1177,
&end
#
# 23 TYR QE 25 HIS HD2 5.47 (#peak 1436 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1436, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 349, 354,
&end
#
# 55 ASN HD22 69 SER H 4.36 (#peak 1439 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1439, nxpk= 0, iat= 869,1100, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 16 VAL H 41 TRP HZ3 5.49 (#peak 1441 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1441, nxpk= 0, iat= 231, 648, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 23 TYR H 23 TYR QD 4.39 (#peak 1445 #SUP 1.00;)
&rst
ixpk= 1445, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 347, 356,
&end
#
# 21 CYZN H 23 TYR H 5.24 (#peak 1447 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 1447, nxpk= 0, iat= 307, 339, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 39 PHE QD 41 TRP HE1 4.76 (#peak 1452 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1452, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 602, 610,
&end
#
# 39 PHE QD 40 HIS H 4.82 (#peak 1454 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1454, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 602, 610,
&end
#
# 11 GLN HE22 48 PHE HZ 4.35 (#peak 1458 #SUP 0.99 #QF 0.64;)
&rst
ixpk= 1458, nxpk= 0, iat= 165, 767, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 39 PHE HA 39 PHE QD 3.85 (#peak 1459 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1459, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 602, 610,
&end
#
# 32 CYZN H 35 GLU H 4.91 (#peak 1462 #SUP 0.21 #QF 0.21;)
&rst
ixpk= 1462, nxpk= 0, iat= 498, 535, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 49 PHE QD 57 THR H 5.49 (#peak 1487 #SUP 1.00;)
&rst
ixpk= 1487, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 783, 791,
&end
#
# 49 PHE QD 79 VAL H 5.10 (#peak 1490 #SUP 1.00;)
&rst
ixpk= 1490, nxpk= 0, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 783, 791,
&end
#
# 49 PHE QD 49 PHE HZ 4.27 (#peak 1491 #SUP 1.00;)
&rst
ixpk= 1491, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 783, 791,
&end
#
# 74 PHE QD 76 TRP H 5.08 (#peak 1492 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1492, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1169,1177,
&end
#
# 76 TRP H 76 TRP HD1 3.64 (#peak 1493 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1493, nxpk= 0, iat=1203,1211, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 23 TYR QD 25 HIS HD2 4.49 (#peak 1504 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1504, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 347, 356,
&end
#
# 18 CYZN HB2 39 PHE HA 5.20 (#peak 1511 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1511, nxpk= 0, iat= 266, 596, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 50 LYS QB 56 ARG HA 4.76 (#peak 1517 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1517, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 799, 800,
&end
#
# 56 ARG HA 57 THR QG2 4.89 (#peak 1519 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1519, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 903, 904, 905,
&end
#
# 50 LYS HA 51 CYZN HB2 5.85 (#peak 1521 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1521, nxpk= 0, iat= 797, 821, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 50 LYS HA 56 ARG HB2 5.62 (#peak 1523 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1523, nxpk= 0, iat= 797, 877, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 49 PHE HA 57 THR QG2 5.17 (#peak 1533 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1533, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 903, 904, 905,
&end
#
# 49 PHE HA 76 TRP HB3 5.28 (#peak 1534 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 1534, nxpk= 0, iat= 777,1208, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 15 VAL QG2 41 TRP HA 5.20 (#peak 1546 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1546, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 225, 226, 227,
&end
#
# 57 THR QG2 58 ILE HA 5.14 (#peak 1553 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1553, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 903, 904, 905,
&end
#
# 16 VAL QG2 40 HIS HA 5.32 (#peak 1555 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1555, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 241, 242, 243,
&end
#
# 48 PHE HA 58 ILE QD1 5.26 (#peak 1563 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1563, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 924, 925, 926,
&end
#
# 14 ARG HA 15 VAL QG1 4.66 (#peak 1573 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1573, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 221, 222, 223,
&end
#
# 77 GLU HA 78 ARG HB2 5.14 (#peak 1587 #SUP 0.85 #QF 0.85;)
&rst
ixpk= 1587, nxpk= 0, iat=1229,1246, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 14 ARG QG 15 VAL HA 5.51 (#peak 1596 #SUP 0.92 #QF 0.33;)
&rst
ixpk= 1596, nxpk= 0, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 198, 199,
&end
#
# 27 LYS HA 27 LYS QD 5.68 (#peak 1596 #SUP 0.92 #QF 0.33;)
&rst
ixpk= 1596, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 421, 422,
&end
#
# 16 VAL QG2 18 CYZN HA 4.92 (#peak 1611 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1611, nxpk= 0, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 241, 242, 243,
&end
#
# 51 CYZN HA 52 PRO HG2 5.34 (#peak 1617 #SUP 0.74 #QF 0.74;)
&rst
ixpk= 1617, nxpk= 0, iat= 819, 832, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 15 VAL QG1 45 VAL HA 5.28 (#peak 1621 #SUP 0.55 #QF 0.55;)
&rst
ixpk= 1621, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 221, 222, 223,
&end
#
# 15 VAL QG2 44 GLY HA2 4.67 (#peak 1622 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1622, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 225, 226, 227,
&end
#
# 9 ARG HA 9 ARG QD 4.89 (#peak 1642 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1642, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 123, 124,
&end
#
# 6 GLN HA 6 GLN QG 3.64 (#peak 1653 #SUP 0.94 #QF 0.27;)
&rst
ixpk= 1653, nxpk= 0, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 73, 74,
&end
#
# 87 GLY HA2 88 PRO QD 3.85 (#peak 1670 #SUP 0.80 #QF 0.80;)
&rst
ixpk= 1670, nxpk= 0, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1406,1407,
&end
#
# 59 SER HB3 64 PRO HA 5.10 (#peak 1677 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1677, nxpk= 0, iat= 935,1025, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 20 THR QG2 21 CYZN HA 4.55 (#peak 1687 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1687, nxpk= 0, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 299, 300, 301,
&end
#
# 34 SER HA 34 SER HB2 3.21 (#peak 1688 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 1688, nxpk= 0, iat= 526, 528, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 12 SER QB 45 VAL QG2 5.41 (#peak 1690 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1690, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1= 173, 174,
igr2= 703, 704, 705,
&end
#
# 62 ARG HA 62 ARG QD 4.27 (#peak 1694 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 1694, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 982, 983,
&end
#
# 68 CYZN HB3 72 GLY HA3 5.33 (#peak 1696 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 1696, nxpk= 0, iat=1094,1138, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 19 LYS HA 22 LYS HA 4.24 (#peak 1697 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1697, nxpk= 0, iat= 273, 319, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 16 VAL QG1 28 PRO HD2 4.33 (#peak 1700 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1700, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 237, 238, 239,
&end
#
# 50 LYS QE 56 ARG QD 4.32 (#peak 1727 #SUP 1.00;)
&rst
ixpk= 1727, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 808, 809,
igr2= 883, 884,
&end
#
# 17 THR HB 40 HIS HB3 4.87 (#peak 1733 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1733, nxpk= 0, iat= 251, 619, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 13 CYS HB2 15 VAL QG1 5.66 (#peak 1734 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1734, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2= 221, 222, 223,
&end
#
# 16 VAL QG2 32 CYZN HB2 6.16 (#peak 1735 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 1735, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 241, 242, 243,
&end
#
# 20 THR HA 22 LYS QE 5.92 (#peak 1736 #SUP 0.54 #QF 0.23;)
&rst
ixpk= 1736, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2= 330, 331,
&end
#
# 64 PRO HG2 76 TRP HB2 5.39 (#peak 1751 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 1751, nxpk= 0, iat=1019,1207, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 16 VAL QG2 18 CYZN HB2 5.39 (#peak 1759 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1759, nxpk= 0, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 241, 242, 243,
&end
#
# 64 PRO HD2 76 TRP HB2 4.72 (#peak 1772 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1772, nxpk= 0, iat=1016,1207, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 30 GLU QB 31 THR HA 4.77 (#peak 1777 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1777, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 473, 474,
&end
#
# 16 VAL QG1 27 LYS QB 5.20 (#peak 1786 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1786, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 237, 238, 239,
igr2= 415, 416,
&end
#
# 9 ARG HB2 9 ARG QD 4.59 (#peak 1792 #SUP 0.98 #QF 0.94;)
&rst
ixpk= 1792, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 123, 124,
&end
#
# 62 ARG QB 62 ARG QD 4.38 (#peak 1801 #SUP 0.60 #QF 0.60;)
&rst
ixpk= 1801, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 976, 977,
igr2= 982, 983,
&end
#
# 14 ARG QG 15 VAL QG2 5.29 (#peak 1805 #SUP 0.87 #QF 0.87;)
&rst
ixpk= 1805, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 198, 199,
igr2= 225, 226, 227,
&end
#
# 46 LYS HB2 60 LEU QD2 5.60 (#peak 1822 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1822, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 954, 955, 956,
&end
#
# 29 LYS HA 29 LYS QD 5.14 (#peak 1828 #SUP 0.74 #QF 0.24;)
&rst
ixpk= 1828, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 457, 458,
&end
#
# 62 ARG HA 62 ARG HG3 4.12 (#peak 1836 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1836, nxpk= 0, iat= 974, 980, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 15 VAL QG1 60 LEU HB2 5.89 (#peak 1847 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1847, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 221, 222, 223,
&end
#
# 60 LEU HB2 60 LEU QD1 4.03 (#peak 1848 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1848, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 950, 951, 952,
&end
#
# 19 LYS HA 19 LYS HG2 4.11 (#peak 1850 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1850, nxpk= 0, iat= 273, 278, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 62 ARG QD 63 LEU QB 5.07 (#peak 1858 #SUP 0.99 #QF 0.97;)
&rst
ixpk= 1858, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 982, 983,
igr2=1000,1001,
&end
#
# 63 LEU QB 64 PRO HG2 5.61 (#peak 1861 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1861, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1000,1001,
&end
#
# 29 LYS HA 29 LYS HG2 4.26 (#peak 1863 #SUP 0.89 #QF 0.89;)
&rst
ixpk= 1863, nxpk= 0, iat= 449, 454, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 27 LYS HG3 28 PRO HD2 5.64 (#peak 1866 #SUP 0.94 #QF 0.94;)
&rst
ixpk= 1866, nxpk= 0, iat= 419, 434, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 15 VAL QG1 60 LEU HG 5.04 (#peak 1872 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1872, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 221, 222, 223,
&end
#
# 31 THR HA 31 THR QG2 3.06 (#peak 1879 #SUP 0.98 #QF 0.92;)
&rst
ixpk= 1879, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 490, 491, 492,
&end
#
# 20 THR QG2 22 LYS QG 6.15 (#peak 1884 #SUP 0.74 #QF 0.74;)
&rst
ixpk= 1884, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr1= 299, 300, 301,
igr2= 324, 325,
&end
#
# 53 CYZN HB2 70 THR QG2 5.29 (#peak 1885 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1885, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=1117,1118,1119,
&end
#
# 33 VAL HA 33 VAL QG2 3.17 (#peak 1894 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1894, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 518, 519, 520,
&end
#
# 63 LEU HA 63 LEU QD2 4.36 (#peak 1897 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1897, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1009,1010,1011,
&end
#
# 59 SER HB2 64 PRO HB2 5.57 (#peak 1899 #SUP 1.00 #QF 0.43;)
&rst
ixpk= 1899, nxpk= 0, iat= 934,1022, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 15 VAL QG1 24 THR QG2 4.05 (#peak 1908 #SUP 1.00;)
&rst
ixpk= 1908, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 221, 222, 223,
igr2= 366, 367, 368,
&end
#
# 17 THR QG2 22 LYS HA 4.83 (#peak 1920 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1920, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 253, 254, 255,
&end
#
# 49 PHE HB3 79 VAL QG1 5.82 (#peak 1923 #SUP 0.97 #QF 0.33;)
&rst
ixpk= 1923, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr2=1272,1273,1274,
&end
#
# 7 SER QB 8 ILE QG2 6.16 (#peak 1927 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 1927, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 87, 88,
igr2= 100, 101, 102,
&end
#
# 77 GLU HG2 79 VAL QG1 5.17 (#peak 1931 #SUP 0.45 #QF 0.45;)
&rst
ixpk= 1931, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1272,1273,1274,
&end
#
# 11 GLN QG 45 VAL QG1 6.16 (#peak 1940 #SUP 0.64 #QF 0.34;)
&rst
ixpk= 1940, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 159, 160,
igr2= 699, 700, 701,
&end
#
# 11 GLN QG 82 LEU QQD 6.16 (#peak 1940 #SUP 0.64 #QF 0.34;)
&rst
ixpk= 1940, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82,
igr1= 159, 160,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 8 ILE QD1 10 GLU QG 4.96 (#peak 1941 #SUP 0.97 #QF 0.69;)
&rst
ixpk= 1941, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 107, 108, 109,
igr2= 144, 145,
&end
#
# 48 PHE QB 58 ILE QG2 5.16 (#peak 1955 #SUP 0.99 #QF 0.39;)
&rst
ixpk= 1955, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 759, 760,
igr2= 917, 918, 919,
&end
#
# 58 ILE QG2 60 LEU QD2 6.16 (#peak 1956 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 1956, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.88, r4= 9.38,
igr1= 917, 918, 919,
igr2= 954, 955, 956,
&end
#
# 20 THR HA 20 THR QG2 3.17 (#peak 1957 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1957, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 299, 300, 301,
&end
#
# 15 VAL QG1 44 GLY HA3 4.18 (#peak 1959 #SUP 0.70 #QF 0.70;)
&rst
ixpk= 1959, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 221, 222, 223,
&end
#
# 20 THR QG2 22 LYS QE 6.16 (#peak 1962 #SUP 0.95 #QF 0.93;)
&rst
ixpk= 1962, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 299, 300, 301,
igr2= 330, 331,
&end
#
# 15 VAL QG2 60 LEU QD1 5.22 (#peak 1973 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1973, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 225, 226, 227,
igr2= 950, 951, 952,
&end
#
# 60 LEU HB2 60 LEU QD2 4.03 (#peak 1977 #SUP 1.00;)
&rst
ixpk= 1977, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 954, 955, 956,
&end
#
# 15 VAL QG1 60 LEU QD2 3.39 (#peak 1980 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1980, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 221, 222, 223,
igr2= 954, 955, 956,
&end
#
# 15 VAL QG2 60 LEU QD2 5.22 (#peak 1982 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1982, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 225, 226, 227,
igr2= 954, 955, 956,
&end
#
# 57 THR QG2 64 PRO HG3 4.24 (#peak 1984 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 1984, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 903, 904, 905,
&end
#
# 16 VAL QG1 25 HIS HB3 5.06 (#peak 1992 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 1992, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 237, 238, 239,
&end
#
# 16 VAL QG1 28 PRO HG2 4.75 (#peak 1994 #SUP 1.00;)
&rst
ixpk= 1994, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 237, 238, 239,
&end
#
# 57 THR QG2 59 SER HB2 5.24 (#peak 1998 #SUP 1.00;)
&rst
ixpk= 1998, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 903, 904, 905,
&end
#
# 16 VAL QG1 25 HIS HB2 5.00 (#peak 2000 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 2000, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 237, 238, 239,
&end
#
# 49 PHE HB2 57 THR QG2 3.85 (#peak 2002 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2002, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 903, 904, 905,
&end
#
# 57 THR QG2 66 LYS QD 5.17 (#peak 2003 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2003, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 903, 904, 905,
igr2=1061,1062,
&end
#
# 16 VAL QG2 17 THR HB 5.33 (#peak 2022 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2022, nxpk= 0, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 241, 242, 243,
&end
#
# 16 VAL QG2 28 PRO HD2 5.73 (#peak 2022 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2022, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 241, 242, 243,
&end
#
# 16 VAL QG2 28 PRO HD3 4.60 (#peak 2023 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2023, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 241, 242, 243,
&end
#
# 16 VAL QG2 28 PRO HG2 5.14 (#peak 2026 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2026, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 241, 242, 243,
&end
#
# 16 VAL QG2 28 PRO HB3 4.48 (#peak 2030 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 2030, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 241, 242, 243,
&end
#
# 16 VAL QG1 41 TRP HE1 5.53 (#peak 2034 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2034, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 237, 238, 239,
&end
#
# 50 LYS H 50 LYS HG3 5.10 (#peak 2043 #SUP 0.90 #QF 0.90;)
&rst
ixpk= 2043, nxpk= 0, iat= 795, 803, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 50 LYS H 57 THR QG2 5.35 (#peak 2045 #SUP 1.00;)
&rst
ixpk= 2045, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 903, 904, 905,
&end
#
# 70 THR H 70 THR QG2 4.31 (#peak 2050 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 2050, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1117,1118,1119,
&end
#
# 51 CYZN H 55 ASN HB2 6.16 (#peak 2055 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2055, nxpk= 0, iat= 817, 863, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 18 CYZN HB2 19 LYS H 5.01 (#peak 2057 #SUP 1.00;)
&rst
ixpk= 2057, nxpk= 0, iat= 266, 271, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 53 CYZN HB3 55 ASN H 6.07 (#peak 2084 #SUP 0.44 #QF 0.44;)
&rst
ixpk= 2084, nxpk= 0, iat= 846, 859, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 50 LYS HG3 55 ASN H 5.14 (#peak 2099 #SUP 0.82 #QF 0.35;)
&rst
ixpk= 2099, nxpk= 0, iat= 803, 859, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 14 ARG HB2 15 VAL H 5.17 (#peak 2116 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2116, nxpk= 0, iat= 195, 215, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 74 PHE H 75 LYS HG3 5.75 (#peak 2157 #SUP 0.83 #QF 0.45;)
&rst
ixpk= 2157, nxpk= 0, iat=1161,1189, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 60 LEU H 60 LEU HG 4.44 (#peak 2158 #SUP 0.81 #QF 0.81;)
&rst
ixpk= 2158, nxpk= 0, iat= 941, 948, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 53 CYZN H 53 CYZN HB3 4.11 (#peak 2170 #SUP 0.71 #QF 0.71;)
&rst
ixpk= 2170, nxpk= 0, iat= 842, 846, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 31 THR HA 34 SER H 4.23 (#peak 2215 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2215, nxpk= 0, iat= 486, 524, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 16 VAL QG1 17 THR H 4.79 (#peak 2223 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2223, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 237, 238, 239,
&end
#
# 8 ILE H 8 ILE HG12 4.69 (#peak 2250 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2250, nxpk= 0, iat= 94, 104, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 9 ARG HB3 10 GLU H 5.12 (#peak 2259 #SUP 0.98 #QF 0.80;)
&rst
ixpk= 2259, nxpk= 0, iat= 118, 137, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 20 THR H 20 THR QG2 4.26 (#peak 2267 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2267, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 299, 300, 301,
&end
#
# 16 VAL QG1 29 LYS H 5.20 (#peak 2297 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2297, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 237, 238, 239,
&end
#
# 34 SER HA 36 ASN H 4.59 (#peak 2313 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2313, nxpk= 0, iat= 526, 550, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 31 THR QG2 35 GLU H 5.75 (#peak 2334 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2334, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 490, 491, 492,
&end
#
# 31 THR HA 35 GLU H 4.65 (#peak 2336 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2336, nxpk= 0, iat= 486, 535, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 66 LYS H 66 LYS QD 5.13 (#peak 2348 #SUP 0.96 #QF 0.81;)
&rst
ixpk= 2348, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1061,1062,
&end
#
# 41 TRP QB 41 TRP HD1 4.14 (#peak 2362 #SUP 0.94 #QF 0.75;)
&rst
ixpk= 2362, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 635, 636,
&end
#
# 63 LEU QB 74 PHE HZ 4.20 (#peak 2365 #SUP 1.00;)
&rst
ixpk= 2365, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1000,1001,
&end
#
# 16 VAL QG1 41 TRP HE3 5.51 (#peak 2367 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2367, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 237, 238, 239,
&end
#
# 33 VAL HA 39 PHE QE 4.11 (#peak 2371 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2371, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 604, 608,
&end
#
# 18 CYZN HB2 39 PHE QE 4.70 (#peak 2377 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2377, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 604, 608,
&end
#
# 33 VAL QG2 39 PHE QE 4.52 (#peak 2379 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2379, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 518, 519, 520,
igr2= 604, 608,
&end
#
# 26 PHE QD 27 LYS QD 5.32 (#peak 2383 #SUP 1.00 #QF 0.23;)
&rst
ixpk= 2383, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 399, 407,
igr2= 421, 422,
&end
#
# 64 PRO HG2 74 PHE QE 4.85 (#peak 2386 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2386, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1171,1175,
&end
#
# 49 PHE HZ 78 ARG HD2 5.33 (#peak 2388 #SUP 0.48 #QF 0.48;)
&rst
ixpk= 2388, nxpk= 0, iat= 787,1252, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 26 PHE QD 46 LYS QD 4.76 (#peak 2394 #SUP 1.00;)
&rst
ixpk= 2394, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 399, 407,
igr2= 719, 720,
&end
#
# 26 PHE QD 60 LEU HG 4.75 (#peak 2395 #SUP 0.99 #QF 0.52;)
&rst
ixpk= 2395, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 399, 407,
&end
#
# 49 PHE HZ 64 PRO HD3 5.00 (#peak 2395 #SUP 0.99 #QF 0.52;)
&rst
ixpk= 2395, nxpk= 0, iat= 787,1017, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 PHE QD 58 ILE QG2 4.88 (#peak 2396 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 2396, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 399, 407,
igr2= 917, 918, 919,
&end
#
# 26 PHE QD 60 LEU QD2 4.33 (#peak 2399 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2399, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 399, 407,
igr2= 954, 955, 956,
&end
#
# 15 VAL QG2 26 PHE QD 6.16 (#peak 2400 #SUP 1.00;)
&rst
ixpk= 2400, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 225, 226, 227,
igr2= 399, 407,
&end
#
# 49 PHE HZ 62 ARG HA 4.73 (#peak 2402 #SUP 0.93 #QF 0.93;)
&rst
ixpk= 2402, nxpk= 0, iat= 787, 974, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 49 PHE HZ 78 ARG HD3 5.33 (#peak 2407 #SUP 0.59 #QF 0.59;)
&rst
ixpk= 2407, nxpk= 0, iat= 787,1253, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 55 ASN HB3 76 TRP HZ2 6.16 (#peak 2413 #SUP 0.92 #QF 0.57;)
&rst
ixpk= 2413, nxpk= 0, iat= 864,1216, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 66 LYS QE 76 TRP HZ2 6.16 (#peak 2413 #SUP 0.92 #QF 0.57;)
&rst
ixpk= 2413, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=1064,1065,
&end
#
# 16 VAL QG1 41 TRP HH2 4.29 (#peak 2416 #SUP 0.95 #QF 0.30;)
&rst
ixpk= 2416, nxpk= 0, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 237, 238, 239,
&end
#
# 57 THR QG2 76 TRP HZ2 4.52 (#peak 2416 #SUP 0.95 #QF 0.30;)
&rst
ixpk= 2416, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 903, 904, 905,
&end
#
# 48 PHE QD 81 MET HA 4.36 (#peak 2421 #SUP 1.00 #QF 0.22;)
&rst
ixpk= 2421, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 763, 771,
&end
#
# 49 PHE QE 59 SER HB3 3.83 (#peak 2422 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2422, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 785, 789,
&end
#
# 9 ARG HB2 48 PHE QD 4.80 (#peak 2430 #SUP 0.34 #QF 0.34;)
&rst
ixpk= 2430, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 763, 771,
&end
#
# 49 PHE QE 64 PRO HG2 6.16 (#peak 2439 #SUP 0.45 #QF 0.45;)
&rst
ixpk= 2439, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 785, 789,
&end
#
# 47 ARG QG 49 PHE QE 4.96 (#peak 2444 #SUP 0.98 #QF 0.91;)
&rst
ixpk= 2444, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 738, 739,
igr2= 785, 789,
&end
#
# 11 GLN QB 48 PHE QE 5.88 (#peak 2451 #SUP 0.92 #QF 0.54;)
&rst
ixpk= 2451, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 156, 157,
igr2= 765, 769,
&end
#
# 33 VAL HA 39 PHE HZ 3.77 (#peak 2454 #SUP 0.96 #QF 0.94;)
&rst
ixpk= 2454, nxpk= 0, iat= 510, 606, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 16 VAL QG1 41 TRP HZ3 4.68 (#peak 2472 #SUP 1.00;)
&rst
ixpk= 2472, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 237, 238, 239,
&end
#
# 16 VAL QG2 41 TRP HZ3 5.87 (#peak 2474 #SUP 1.00;)
&rst
ixpk= 2474, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 241, 242, 243,
&end
#
# 21 CYZN HB2 23 TYR H 4.92 (#peak 2477 #SUP 1.00 #QF 0.91;)
&rst
ixpk= 2477, nxpk= 0, iat= 312, 339, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 26 PHE QE 46 LYS QD 4.88 (#peak 2481 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2481, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 401, 405,
igr2= 719, 720,
&end
#
# 26 PHE QE 60 LEU QD2 4.85 (#peak 2486 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2486, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 401, 405,
igr2= 954, 955, 956,
&end
#
# 49 PHE HB3 76 TRP HZ3 6.16 (#peak 2493 #SUP 0.94 #QF 0.90;)
&rst
ixpk= 2493, nxpk= 0, iat= 780,1220, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 51 CYZN HB3 76 TRP HZ3 4.66 (#peak 2496 #SUP 0.99 #QF 0.98;)
&rst
ixpk= 2496, nxpk= 0, iat= 822,1220, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 57 THR HB 76 TRP HZ3 4.85 (#peak 2503 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2503, nxpk= 0, iat= 901,1220, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 51 CYZN HB2 76 TRP HZ3 4.40 (#peak 2504 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2504, nxpk= 0, iat= 821,1220, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 32 CYZN H 33 VAL HB 5.17 (#peak 2511 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2511, nxpk= 0, iat= 498, 512, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 49 PHE QD 58 ILE HB 6.16 (#peak 2527 #SUP 1.00 #QF 0.97;)
&rst
ixpk= 2527, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 783, 791,
&end
#
# 49 PHE QD 63 LEU HG 6.16 (#peak 2527 #SUP 1.00 #QF 0.97;)
&rst
ixpk= 2527, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 783, 791,
&end
#
# 63 LEU HG 76 TRP H 6.16 (#peak 2527 #SUP 1.00 #QF 0.97;)
&rst
ixpk= 2527, nxpk= 0, iat=1003,1203, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 49 PHE QD 64 PRO HG3 4.73 (#peak 2530 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2530, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 783, 791,
&end
#
# 64 PRO HB3 76 TRP HD1 6.16 (#peak 2552 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2552, nxpk= 0, iat=1023,1211, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 64 PRO HD3 76 TRP HD1 5.33 (#peak 2553 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 2553, nxpk= 0, iat=1017,1211, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 17 THR QG2 24 THR HA 4.52 (#peak 2567 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 2567, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 253, 254, 255,
&end
#
# 58 ILE HA 58 ILE QG2 3.47 (#peak 2569 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2569, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 917, 918, 919,
&end
#
# 6 GLN HA 7 SER H 3.73 (#peak 2575 #SUP 1.00 #QF 0.30;)
&rst
ixpk= 2575, nxpk= 0, iat= 68, 83, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 46 LYS HA 60 LEU HA 4.22 (#peak 2589 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 2589, nxpk= 0, iat= 711, 943, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 69 SER HA 69 SER HB2 3.37 (#peak 2590 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2590, nxpk= 0, iat=1102,1104, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 69 SER HA 69 SER HB3 3.37 (#peak 2591 #SUP 0.82 #QF 0.82;)
&rst
ixpk= 2591, nxpk= 0, iat=1102,1105, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 57 THR QG2 64 PRO HA 6.16 (#peak 2599 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 2599, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 903, 904, 905,
&end
#
# 24 THR QG2 60 LEU QD2 4.30 (#peak 2601 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2601, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 366, 367, 368,
igr2= 954, 955, 956,
&end
#
# 24 THR QG2 60 LEU QD1 4.30 (#peak 2602 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2602, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 366, 367, 368,
igr2= 950, 951, 952,
&end
#
# 46 LYS HG2 58 ILE QG2 4.36 (#peak 2604 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2604, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 917, 918, 919,
&end
#
# 15 VAL QG1 60 LEU QD1 3.39 (#peak 2607 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2607, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 221, 222, 223,
igr2= 950, 951, 952,
&end
#
# 58 ILE QG2 60 LEU QD1 6.16 (#peak 2609 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2609, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.88, r4= 9.38,
igr1= 917, 918, 919,
igr2= 950, 951, 952,
&end
#
# 16 VAL QG1 28 PRO HG3 4.10 (#peak 2613 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2613, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 237, 238, 239,
&end
#
# 8 ILE H 8 ILE QG2 4.44 (#peak 2626 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2626, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 100, 101, 102,
&end
#
# 17 THR HA 24 THR QG2 4.44 (#peak 2632 #SUP 0.97 #QF 0.97;)
&rst
ixpk= 2632, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 366, 367, 368,
&end
#
# 33 VAL HA 33 VAL QG1 3.17 (#peak 2640 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2640, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 514, 515, 516,
&end
#
# 67 HIS HD2 74 PHE QD 5.04 (#peak 2654 #SUP 0.70 #QF 0.43;)
&rst
ixpk= 2654, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1169,1177,
&end
#
# 55 ASN HD22 76 TRP HZ2 5.25 (#peak 2655 #SUP 0.88 #QF 0.88;)
&rst
ixpk= 2655, nxpk= 0, iat= 869,1216, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 65 LYS HA 74 PHE QE 4.23 (#peak 2657 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2657, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1171,1175,
&end
#
# 52 PRO HD2 75 LYS HB3 5.57 (#peak 2697 #SUP 0.98 #QF 0.98;)
&rst
ixpk= 2697, nxpk= 0, iat= 829,1186, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 9 ARG HB2 81 MET HA 4.02 (#peak 2699 #SUP 0.68 #QF 0.68;)
&rst
ixpk= 2699, nxpk= 0, iat= 117,1291, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 79 VAL HA 79 VAL QG1 3.30 (#peak 2716 #SUP 0.99 #QF 0.99;)
&rst
ixpk= 2716, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1272,1273,1274,
&end
#
# 16 VAL HA 16 VAL QG2 3.38 (#peak 2717 #SUP 1.00;)
&rst
ixpk= 2717, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 241, 242, 243,
&end
#
# 53 CYZN HB3 71 CYZN HB3 4.56 (#peak 2724 #SUP 0.95 #QF 0.95;)
&rst
ixpk= 2724, nxpk= 0, iat= 846,1129, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 49 PHE HB3 76 TRP HB2 4.88 (#peak 2725 #SUP 0.92 #QF 0.92;)
&rst
ixpk= 2725, nxpk= 0, iat= 780,1207, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 10 GLU HB2 10 GLU QG 3.18 (#peak 2742 #SUP 0.91 #QF 0.91;)
&rst
ixpk= 2742, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 144, 145,
&end
#
# 83 LYS HA 83 LYS QD 4.73 (#peak 2749 #SUP 0.97 #QF 0.95;)
&rst
ixpk= 2749, nxpk= 0, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1335,1336,
&end
#
# 32 CYZN HA 35 GLU HB2 4.04 (#peak 2762 #SUP 0.84 #QF 0.84;)
&rst
ixpk= 2762, nxpk= 0, iat= 500, 539, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 16 VAL QG1 26 PHE HA 5.32 (#peak 2771 #SUP 0.98 #QF 0.93;)
&rst
ixpk= 2771, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 237, 238, 239,
&end
#
# 57 THR QG2 76 TRP HA 5.75 (#peak 2771 #SUP 0.98 #QF 0.93;)
&rst
ixpk= 2771, nxpk= 0, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 903, 904, 905,
&end
#
# 35 GLU H 36 ASN H 3.65 (#peak 2773 #SUP 0.96 #QF 0.96;)
&rst
ixpk= 2773, nxpk= 0, iat= 535, 550, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 4 GLY QA 5 MET QB 5.98 (#peak 1829;)
&rst
ixpk= 1829, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 44, 45,
igr2= 53, 54,
&end
#
# 5 MET H 5 MET QB 3.76 (#peak 886;)
&rst
ixpk= 886, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 53, 54,
&end
#
# 5 MET H 5 MET QG 4.52 (#peak 977;)
&rst
ixpk= 977, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 56, 57,
&end
#
# 5 MET HA 5 MET QG 4.02 (#peak 2221;)
&rst
ixpk= 2221, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 56, 57,
&end
#
# 6 GLN H 6 GLN QB 3.72 (#peak 604;)
&rst
ixpk= 604, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 70, 71,
&end
#
# 6 GLN HA 6 GLN QE2 5.78 (#peak 233;)
&rst
ixpk= 233, nxpk= 0, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 78, 79,
&end
#
# 6 GLN QB 7 SER H 4.38 (#peak 855;)
&rst
ixpk= 855, nxpk= 0, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 70, 71,
&end
#
# 6 GLN QB 7 SER QB 5.32 (#peak 440;)
&rst
ixpk= 440, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 70, 71,
igr2= 87, 88,
&end
#
# 7 SER HA 8 ILE QG1 4.95 (#peak 2188;)
&rst
ixpk= 2188, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 104, 105,
&end
#
# 8 ILE H 8 ILE QG1 3.75 (#peak 636;)
&rst
ixpk= 636, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 104, 105,
&end
#
# 8 ILE HA 8 ILE QG1 3.72 (#peak 483;)
&rst
ixpk= 483, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 104, 105,
&end
#
# 8 ILE QG2 8 ILE QG1 3.71 (#peak 109;)
&rst
ixpk= 109, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 100, 101, 102,
igr2= 104, 105,
&end
#
# 8 ILE QG1 9 ARG H 5.47 (#peak 949;)
&rst
ixpk= 949, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 104, 105,
&end
#
# 8 ILE QG1 10 GLU QG 4.89 (#peak 2342;)
&rst
ixpk= 2342, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 104, 105,
igr2= 144, 145,
&end
#
# 9 ARG HA 80 GLY QA 5.88 (#peak 710;)
&rst
ixpk= 710, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2=1284,1285,
&end
#
# 9 ARG HG2 80 GLY QA 5.98 (#peak 1948;)
&rst
ixpk= 1948, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2=1284,1285,
&end
#
# 9 ARG HG3 80 GLY QA 4.41 (#peak 1949;)
&rst
ixpk= 1949, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1284,1285,
&end
#
# 9 ARG QD 80 GLY QA 5.98 (#peak 1965;)
&rst
ixpk= 1965, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 123, 124,
igr2=1284,1285,
&end
#
# 10 GLU HA 45 VAL QQG 4.87 (#peak 201;)
&rst
ixpk= 201, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 10 GLU HB2 45 VAL QQG 3.79 (#peak 207;)
&rst
ixpk= 207, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 10 GLU HB2 47 ARG QD 5.47 (#peak 1779;)
&rst
ixpk= 1779, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 741, 742,
&end
#
# 10 GLU HB3 45 VAL QQG 3.96 (#peak 2685;)
&rst
ixpk= 2685, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 10 GLU HB3 47 ARG QD 4.75 (#peak 1791;)
&rst
ixpk= 1791, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 741, 742,
&end
#
# 10 GLU QG 45 VAL QQG 3.62 (#peak 2344;)
&rst
ixpk= 2344, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 144, 145,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 11 GLN H 45 VAL QQG 3.99 (#peak 199;)
&rst
ixpk= 199, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 11 GLN QG 45 VAL QQG 4.98 (#peak 1043;)
&rst
ixpk= 1043, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 159, 160,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 11 GLN HE22 81 MET QB 5.98 (#peak 959;)
&rst
ixpk= 959, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2=1293,1294,
&end
#
# 12 SER HA 45 VAL QQG 4.07 (#peak 200;)
&rst
ixpk= 200, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 12 SER QB 43 ASN QD2 5.24 (#peak 433;)
&rst
ixpk= 433, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 173, 174,
igr2= 681, 682,
&end
#
# 12 SER QB 45 VAL QQG 4.65 (#peak 193;)
&rst
ixpk= 193, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 173, 174,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 13 CYS H 13 CYS QB 3.84 (#peak 491;)
&rst
ixpk= 491, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 184, 185,
&end
#
# 13 CYS QB 14 ARG H 3.38 (#peak 814;)
&rst
ixpk= 814, nxpk= 0, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 184, 185,
&end
#
# 13 CYS QB 15 VAL QG1 4.84 (#peak 1734;)
&rst
ixpk= 1734, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 184, 185,
igr2= 221, 222, 223,
&end
#
# 13 CYS QB 26 PHE QD 5.94 (#peak 1568;)
&rst
ixpk= 1568, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr1= 184, 185,
igr2= 399, 407,
&end
#
# 14 ARG HA 14 ARG QD 4.67 (#peak 1910;)
&rst
ixpk= 1910, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 201, 202,
&end
#
# 14 ARG HA 43 ASN QD2 4.97 (#peak 946;)
&rst
ixpk= 946, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 681, 682,
&end
#
# 14 ARG HB2 14 ARG QD 3.99 (#peak 1549;)
&rst
ixpk= 1549, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 201, 202,
&end
#
# 14 ARG HB2 43 ASN QD2 5.89 (#peak 758;)
&rst
ixpk= 758, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 681, 682,
&end
#
# 14 ARG HB3 14 ARG QD 4.05 (#peak 1548;)
&rst
ixpk= 1548, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 201, 202,
&end
#
# 14 ARG QG 43 ASN QD2 4.91 (#peak 776;)
&rst
ixpk= 776, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 198, 199,
igr2= 681, 682,
&end
#
# 14 ARG QD 15 VAL H 5.05 (#peak 1915;)
&rst
ixpk= 1915, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 201, 202,
&end
#
# 14 ARG QD 41 TRP HA 5.28 (#peak 1542;)
&rst
ixpk= 1542, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 201, 202,
&end
#
# 14 ARG QD 41 TRP HE3 3.92 (#peak 2361;)
&rst
ixpk= 2361, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 201, 202,
&end
#
# 14 ARG QD 42 HIS H 5.29 (#peak 2051;)
&rst
ixpk= 2051, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 201, 202,
&end
#
# 14 ARG QD 42 HIS HA 4.98 (#peak 583;)
&rst
ixpk= 583, nxpk= 0, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 201, 202,
&end
#
# 15 VAL HA 26 PHE QB 5.43 (#peak 1973;)
&rst
ixpk= 1973, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 395, 396,
&end
#
# 15 VAL HA 60 LEU QQD 5.31 (#peak 1150;)
&rst
ixpk= 1150, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 15 VAL HB 60 LEU QQD 4.73 (#peak 1976;)
&rst
ixpk= 1976, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 15 VAL QG1 26 PHE QB 5.26 (#peak 1961;)
&rst
ixpk= 1961, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 221, 222, 223,
igr2= 395, 396,
&end
#
# 15 VAL QG1 46 LYS QE 5.21 (#peak 1143;)
&rst
ixpk= 1143, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 221, 222, 223,
igr2= 722, 723,
&end
#
# 15 VAL QG2 45 VAL QQG 6.09 (#peak 1942;)
&rst
ixpk= 1942, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.86, r4=10.36,
igr1= 225, 226, 227,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 15 VAL QG2 60 LEU QQD 4.10 (#peak 1973;)
&rst
ixpk= 1973, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 225, 226, 227,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 16 VAL H 60 LEU QQD 5.79 (#peak 1090;)
&rst
ixpk= 1090, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 16 VAL QG2 33 VAL QQG 6.09 (#peak 1919;)
&rst
ixpk= 1919, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.86, r4=10.36,
igr1= 241, 242, 243,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 22 LYS H 22 LYS QB 3.91 (#peak 713;)
&rst
ixpk= 713, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 321, 322,
&end
#
# 22 LYS QB 22 LYS QE 5.24 (#peak 1206;)
&rst
ixpk= 1206, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 321, 322,
igr2= 330, 331,
&end
#
# 23 TYR QD 29 LYS QE 5.98 (#peak 595;)
&rst
ixpk= 595, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 347, 356,
igr2= 460, 461,
&end
#
# 23 TYR QE 29 LYS QB 5.42 (#peak 621;)
&rst
ixpk= 621, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 349, 354,
igr2= 451, 452,
&end
#
# 23 TYR QE 29 LYS QG 5.50 (#peak 2253;)
&rst
ixpk= 2253, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 349, 354,
igr2= 454, 455,
&end
#
# 24 THR H 60 LEU QQD 5.87 (#peak 1088;)
&rst
ixpk= 1088, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 24 THR HB 60 LEU QQD 4.70 (#peak 1974;)
&rst
ixpk= 1974, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 24 THR QG2 60 LEU QQD 3.48 (#peak 2601;)
&rst
ixpk= 2601, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 366, 367, 368,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 25 HIS H 60 LEU QQD 4.88 (#peak 39;)
&rst
ixpk= 39, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 25 HIS HA 60 LEU QQD 3.58 (#peak 1172;)
&rst
ixpk= 1172, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 25 HIS HB3 27 LYS QG 5.98 (#peak 1366;)
&rst
ixpk= 1366, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2= 418, 419,
&end
#
# 25 HIS HB3 60 LEU QQD 5.26 (#peak 1176;)
&rst
ixpk= 1176, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 25 HIS HD2 60 LEU QQD 4.88 (#peak 1094;)
&rst
ixpk= 1094, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 26 PHE H 26 PHE QB 3.98 (#peak 542;)
&rst
ixpk= 542, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 395, 396,
&end
#
# 26 PHE H 60 LEU QQD 4.72 (#peak 1092;)
&rst
ixpk= 1092, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 26 PHE HA 60 LEU QQD 4.80 (#peak 1174;)
&rst
ixpk= 1174, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 26 PHE QB 27 LYS H 3.66 (#peak 696;)
&rst
ixpk= 696, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 395, 396,
&end
#
# 26 PHE QB 27 LYS QB 5.57 (#peak 1977;)
&rst
ixpk= 1977, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 395, 396,
igr2= 415, 416,
&end
#
# 26 PHE QB 27 LYS QG 4.95 (#peak 1367;)
&rst
ixpk= 1367, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 395, 396,
igr2= 418, 419,
&end
#
# 26 PHE QD 46 LYS QE 4.46 (#peak 580;)
&rst
ixpk= 580, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 399, 407,
igr2= 722, 723,
&end
#
# 26 PHE QD 60 LEU QQD 3.33 (#peak 1084;)
&rst
ixpk= 1084, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 399, 407,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 26 PHE QE 60 LEU QQD 3.83 (#peak 1085;)
&rst
ixpk= 1085, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 401, 405,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 27 LYS H 27 LYS QG 3.94 (#peak 698;)
&rst
ixpk= 698, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 418, 419,
&end
#
# 27 LYS QG 28 PRO HD2 4.82 (#peak 1866;)
&rst
ixpk= 1866, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 418, 419,
&end
#
# 28 PRO HA 29 LYS QB 4.87 (#peak 2146;)
&rst
ixpk= 2146, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 451, 452,
&end
#
# 28 PRO HA 33 VAL QQG 5.16 (#peak 2144;)
&rst
ixpk= 2144, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 28 PRO HB2 33 VAL QQG 3.45 (#peak 268;)
&rst
ixpk= 268, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 28 PRO HB3 33 VAL QQG 4.16 (#peak 269;)
&rst
ixpk= 269, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 28 PRO HG2 33 VAL QQG 3.62 (#peak 266;)
&rst
ixpk= 266, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 28 PRO HD2 33 VAL QQG 4.89 (#peak 1817;)
&rst
ixpk= 1817, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 28 PRO HD3 33 VAL QQG 5.30 (#peak 1913;)
&rst
ixpk= 1913, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 29 LYS H 29 LYS QB 3.51 (#peak 557;)
&rst
ixpk= 557, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 451, 452,
&end
#
# 29 LYS H 29 LYS QG 3.45 (#peak 560;)
&rst
ixpk= 560, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 454, 455,
&end
#
# 29 LYS H 33 VAL QQG 5.11 (#peak 1008;)
&rst
ixpk= 1008, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 29 LYS HA 29 LYS QG 3.70 (#peak 1863;)
&rst
ixpk= 1863, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 454, 455,
&end
#
# 29 LYS QB 29 LYS QE 3.19 (#peak 1856;)
&rst
ixpk= 1856, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 451, 452,
igr2= 460, 461,
&end
#
# 29 LYS QB 30 GLU H 3.17 (#peak 1197;)
&rst
ixpk= 1197, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 451, 452,
&end
#
# 29 LYS QB 31 THR H 3.30 (#peak 61;)
&rst
ixpk= 61, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 451, 452,
&end
#
# 29 LYS QB 31 THR HB 5.50 (#peak 361;)
&rst
ixpk= 361, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 451, 452,
&end
#
# 29 LYS QB 32 CYZN H 3.70 (#peak 77;)
&rst
ixpk= 77, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 451, 452,
&end
#
# 29 LYS QB 32 CYZN HB2 5.17 (#peak 1598;)
&rst
ixpk= 1598, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 451, 452,
&end
#
# 29 LYS QB 33 VAL H 5.40 (#peak 90;)
&rst
ixpk= 90, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 451, 452,
&end
#
# 29 LYS QG 29 LYS QE 3.74 (#peak 1858;)
&rst
ixpk= 1858, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 454, 455,
igr2= 460, 461,
&end
#
# 29 LYS QG 30 GLU H 4.11 (#peak 1199;)
&rst
ixpk= 1199, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 454, 455,
&end
#
# 29 LYS QG 31 THR H 4.86 (#peak 63;)
&rst
ixpk= 63, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 454, 455,
&end
#
# 29 LYS QE 31 THR H 5.90 (#peak 59;)
&rst
ixpk= 59, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 460, 461,
&end
#
# 29 LYS QE 31 THR HB 5.98 (#peak 358;)
&rst
ixpk= 358, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 460, 461,
&end
#
# 29 LYS QE 31 THR QG2 5.98 (#peak 1881;)
&rst
ixpk= 1881, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
igr1= 460, 461,
igr2= 490, 491, 492,
&end
#
# 30 GLU H 33 VAL QQG 6.09 (#peak 52;)
&rst
ixpk= 52, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 30 GLU HA 33 VAL QQG 4.23 (#peak 2111;)
&rst
ixpk= 2111, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 30 GLU QB 33 VAL QQG 6.09 (#peak 1222;)
&rst
ixpk= 1222, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
igr1= 473, 474,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 30 GLU QG 33 VAL QQG 5.73 (#peak 867;)
&rst
ixpk= 867, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.67, r4= 9.17,
igr1= 476, 477,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 31 THR H 33 VAL QQG 5.78 (#peak 65;)
&rst
ixpk= 65, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 31 THR HA 35 GLU QG 4.00 (#peak 1756;)
&rst
ixpk= 1756, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 542, 543,
&end
#
# 31 THR HB 35 GLU QG 4.56 (#peak 359;)
&rst
ixpk= 359, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 542, 543,
&end
#
# 31 THR QG2 35 GLU QG 3.99 (#peak 1882;)
&rst
ixpk= 1882, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 490, 491, 492,
igr2= 542, 543,
&end
#
# 32 CYZN H 33 VAL QQG 4.28 (#peak 81;)
&rst
ixpk= 81, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 32 CYZN H 35 GLU QG 5.98 (#peak 871;)
&rst
ixpk= 871, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2= 542, 543,
&end
#
# 32 CYZN HA 33 VAL QQG 5.56 (#peak 2377;)
&rst
ixpk= 2377, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 32 CYZN HA 35 GLU QG 5.98 (#peak 2374;)
&rst
ixpk= 2374, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2= 542, 543,
&end
#
# 32 CYZN HB2 33 VAL QQG 4.36 (#peak 2282;)
&rst
ixpk= 2282, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 32 CYZN HB3 33 VAL QQG 4.31 (#peak 264;)
&rst
ixpk= 264, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 33 VAL H 33 VAL QQG 3.18 (#peak 991;)
&rst
ixpk= 991, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 33 VAL QQG 34 SER HA 4.30 (#peak 2277;)
&rst
ixpk= 2277, nxpk= 0, iat= -1, 526, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 514, 515, 516, 518, 519, 520,
&end
#
# 33 VAL QQG 34 SER HB2 5.57 (#peak 2131;)
&rst
ixpk= 2131, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
igr1= 514, 515, 516, 518, 519, 520,
&end
#
# 33 VAL QQG 34 SER HB3 6.09 (#peak 2130;)
&rst
ixpk= 2130, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
igr1= 514, 515, 516, 518, 519, 520,
&end
#
# 33 VAL QQG 35 GLU H 5.85 (#peak 958;)
&rst
ixpk= 958, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 514, 515, 516, 518, 519, 520,
&end
#
# 33 VAL QQG 36 ASN H 5.14 (#peak 257;)
&rst
ixpk= 257, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 514, 515, 516, 518, 519, 520,
&end
#
# 33 VAL QQG 36 ASN HA 5.42 (#peak 253;)
&rst
ixpk= 253, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 514, 515, 516, 518, 519, 520,
&end
#
# 33 VAL QQG 39 PHE QD 5.34 (#peak 992;)
&rst
ixpk= 992, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
igr1= 514, 515, 516, 518, 519, 520,
igr2= 602, 610,
&end
#
# 33 VAL QQG 39 PHE QE 3.56 (#peak 987;)
&rst
ixpk= 987, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 514, 515, 516, 518, 519, 520,
igr2= 604, 608,
&end
#
# 33 VAL QQG 39 PHE HZ 3.26 (#peak 990;)
&rst
ixpk= 990, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 514, 515, 516, 518, 519, 520,
&end
#
# 34 SER H 35 GLU QG 5.06 (#peak 875;)
&rst
ixpk= 875, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 542, 543,
&end
#
# 34 SER HA 35 GLU QG 5.98 (#peak 488;)
&rst
ixpk= 488, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2= 542, 543,
&end
#
# 34 SER HB2 35 GLU QG 5.86 (#peak 1689;)
&rst
ixpk= 1689, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 542, 543,
&end
#
# 34 SER HB3 35 GLU QG 4.74 (#peak 2125;)
&rst
ixpk= 2125, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 542, 543,
&end
#
# 35 GLU H 35 GLU QG 3.28 (#peak 120;)
&rst
ixpk= 120, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 542, 543,
&end
#
# 35 GLU HA 35 GLU QG 3.48 (#peak 2321;)
&rst
ixpk= 2321, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 542, 543,
&end
#
# 35 GLU QG 37 HIZ+ HD2 4.97 (#peak 665;)
&rst
ixpk= 665, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 542, 543,
&end
#
# 43 ASN HA 43 ASN QD2 4.96 (#peak 923;)
&rst
ixpk= 923, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 681, 682,
&end
#
# 43 ASN HB3 43 ASN QD2 3.47 (#peak 1186;)
&rst
ixpk= 1186, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 681, 682,
&end
#
# 44 GLY H 45 VAL QQG 5.89 (#peak 1022;)
&rst
ixpk= 1022, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 44 GLY H 60 LEU QQD 5.71 (#peak 1164;)
&rst
ixpk= 1164, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 44 GLY HA2 45 VAL QQG 4.66 (#peak 727;)
&rst
ixpk= 727, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 44 GLY HA2 60 LEU QQD 6.09 (#peak 729;)
&rst
ixpk= 729, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 44 GLY HA3 45 VAL QQG 4.61 (#peak 192;)
&rst
ixpk= 192, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 44 GLY HA3 60 LEU QQD 4.82 (#peak 1717;)
&rst
ixpk= 1717, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 45 VAL H 45 VAL QQG 3.49 (#peak 196;)
&rst
ixpk= 196, nxpk= 0, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 45 VAL H 60 LEU QQD 4.17 (#peak 1159;)
&rst
ixpk= 1159, nxpk= 0, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 45 VAL HA 45 VAL QQG 3.16 (#peak 202;)
&rst
ixpk= 202, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 45 VAL HA 60 LEU QQD 4.67 (#peak 1151;)
&rst
ixpk= 1151, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 45 VAL QQG 46 LYS H 3.58 (#peak 198;)
&rst
ixpk= 198, nxpk= 0, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 699, 700, 701, 703, 704, 705,
&end
#
# 45 VAL QQG 46 LYS HA 4.86 (#peak 203;)
&rst
ixpk= 203, nxpk= 0, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 699, 700, 701, 703, 704, 705,
&end
#
# 45 VAL QQG 46 LYS QD 4.55 (#peak 209;)
&rst
ixpk= 209, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 699, 700, 701, 703, 704, 705,
igr2= 719, 720,
&end
#
# 45 VAL QQG 47 ARG HA 5.51 (#peak 203;)
&rst
ixpk= 203, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1= 699, 700, 701, 703, 704, 705,
&end
#
# 45 VAL QQG 47 ARG HB3 6.09 (#peak 2267;)
&rst
ixpk= 2267, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
igr1= 699, 700, 701, 703, 704, 705,
&end
#
# 45 VAL QQG 47 ARG QG 4.70 (#peak 210;)
&rst
ixpk= 210, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 699, 700, 701, 703, 704, 705,
igr2= 738, 739,
&end
#
# 45 VAL QQG 47 ARG QD 5.05 (#peak 205;)
&rst
ixpk= 205, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 699, 700, 701, 703, 704, 705,
igr2= 741, 742,
&end
#
# 45 VAL QQG 47 ARG HE 4.72 (#peak 1054;)
&rst
ixpk= 1054, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 699, 700, 701, 703, 704, 705,
&end
#
# 46 LYS H 60 LEU QQD 4.97 (#peak 1079;)
&rst
ixpk= 1079, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 46 LYS HA 60 LEU QQD 3.72 (#peak 1153;)
&rst
ixpk= 1153, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 46 LYS HB2 46 LYS QE 3.79 (#peak 1862;)
&rst
ixpk= 1862, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 722, 723,
&end
#
# 46 LYS HB2 60 LEU QQD 4.11 (#peak 1138;)
&rst
ixpk= 1138, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 46 LYS HB3 46 LYS QE 4.07 (#peak 1878;)
&rst
ixpk= 1878, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 722, 723,
&end
#
# 46 LYS HB3 60 LEU QQD 4.95 (#peak 913;)
&rst
ixpk= 913, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 46 LYS HG3 46 LYS QE 3.91 (#peak 1864;)
&rst
ixpk= 1864, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 722, 723,
&end
#
# 46 LYS HG3 60 LEU QQD 5.34 (#peak 1892;)
&rst
ixpk= 1892, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 46 LYS QE 48 PHE QD 5.98 (#peak 582;)
&rst
ixpk= 582, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 722, 723,
igr2= 763, 771,
&end
#
# 46 LYS QE 48 PHE QE 4.68 (#peak 1871;)
&rst
ixpk= 1871, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 722, 723,
igr2= 765, 769,
&end
#
# 46 LYS QE 48 PHE HZ 5.98 (#peak 582;)
&rst
ixpk= 582, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 722, 723,
&end
#
# 46 LYS QE 58 ILE QG2 4.17 (#peak 1865;)
&rst
ixpk= 1865, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 722, 723,
igr2= 917, 918, 919,
&end
#
# 46 LYS QE 58 ILE QD1 4.64 (#peak 98;)
&rst
ixpk= 98, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 722, 723,
igr2= 924, 925, 926,
&end
#
# 46 LYS QE 60 LEU QQD 4.94 (#peak 1145;)
&rst
ixpk= 1145, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 722, 723,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 47 ARG H 60 LEU QQD 4.59 (#peak 1161;)
&rst
ixpk= 1161, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 47 ARG HA 47 ARG QD 4.49 (#peak 1102;)
&rst
ixpk= 1102, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 741, 742,
&end
#
# 47 ARG HB3 47 ARG QD 4.00 (#peak 2270;)
&rst
ixpk= 2270, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 741, 742,
&end
#
# 47 ARG QD 58 ILE QG2 5.98 (#peak 2052;)
&rst
ixpk= 2052, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
igr1= 741, 742,
igr2= 917, 918, 919,
&end
#
# 48 PHE HA 58 ILE QG1 5.17 (#peak 1305;)
&rst
ixpk= 1305, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 921, 922,
&end
#
# 48 PHE QB 58 ILE QG1 4.50 (#peak 1924;)
&rst
ixpk= 1924, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 759, 760,
igr2= 921, 922,
&end
#
# 48 PHE QD 58 ILE QG1 3.76 (#peak 1011;)
&rst
ixpk= 1011, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 763, 771,
igr2= 921, 922,
&end
#
# 48 PHE QD 80 GLY QA 5.15 (#peak 711;)
&rst
ixpk= 711, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 763, 771,
igr2=1284,1285,
&end
#
# 48 PHE QE 81 MET QB 5.29 (#peak 797;)
&rst
ixpk= 797, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 765, 769,
igr2=1293,1294,
&end
#
# 49 PHE H 58 ILE QG1 5.12 (#peak 975;)
&rst
ixpk= 975, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 921, 922,
&end
#
# 49 PHE HB3 63 LEU QQD 5.61 (#peak 755;)
&rst
ixpk= 755, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1005,1006,1007,1009,1010,1011,
&end
#
# 49 PHE QD 58 ILE QG1 5.11 (#peak 1012;)
&rst
ixpk= 1012, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 783, 791,
igr2= 921, 922,
&end
#
# 49 PHE QD 63 LEU QQD 4.21 (#peak 973;)
&rst
ixpk= 973, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1= 783, 791,
igr2=1005,1006,1007,1009,1010,1011,
&end
#
# 49 PHE QD 78 ARG QD 5.45 (#peak 455;)
&rst
ixpk= 455, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 783, 791,
igr2=1252,1253,
&end
#
# 49 PHE QE 63 LEU QQD 3.65 (#peak 971;)
&rst
ixpk= 971, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 785, 789,
igr2=1005,1006,1007,1009,1010,1011,
&end
#
# 49 PHE HZ 63 LEU QQD 4.21 (#peak 970;)
&rst
ixpk= 970, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1005,1006,1007,1009,1010,1011,
&end
#
# 49 PHE HZ 78 ARG QD 4.67 (#peak 2388;)
&rst
ixpk= 2388, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1252,1253,
&end
#
# 50 LYS QB 77 GLU QG 5.47 (#peak 2332;)
&rst
ixpk= 2332, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 799, 800,
igr2=1234,1235,
&end
#
# 50 LYS HG3 54 GLY QA 5.48 (#peak 749;)
&rst
ixpk= 749, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 854, 855,
&end
#
# 50 LYS QD 54 GLY QA 5.98 (#peak 748;)
&rst
ixpk= 748, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 805, 806,
igr2= 854, 855,
&end
#
# 50 LYS QE 54 GLY QA 4.54 (#peak 747;)
&rst
ixpk= 747, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 808, 809,
igr2= 854, 855,
&end
#
# 51 CYZN HA 73 LEU QQD 5.96 (#peak 2319;)
&rst
ixpk= 2319, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
igr2=1151,1152,1153,1155,1156,1157,
&end
#
# 52 PRO HA 73 LEU QQD 6.09 (#peak 417;)
&rst
ixpk= 417, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
igr2=1151,1152,1153,1155,1156,1157,
&end
#
# 52 PRO QB 53 CYZN H 4.29 (#peak 538;)
&rst
ixpk= 538, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 835, 836,
&end
#
# 52 PRO QB 54 GLY H 5.98 (#peak 259;)
&rst
ixpk= 259, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 835, 836,
&end
#
# 52 PRO QB 73 LEU QQD 4.44 (#peak 1482;)
&rst
ixpk= 1482, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 835, 836,
igr2=1151,1152,1153,1155,1156,1157,
&end
#
# 52 PRO HG2 73 LEU QQD 4.52 (#peak 1721;)
&rst
ixpk= 1721, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1151,1152,1153,1155,1156,1157,
&end
#
# 52 PRO HG3 73 LEU QQD 4.10 (#peak 1722;)
&rst
ixpk= 1722, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1151,1152,1153,1155,1156,1157,
&end
#
# 52 PRO HD2 73 LEU QQD 4.37 (#peak 2289;)
&rst
ixpk= 2289, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1151,1152,1153,1155,1156,1157,
&end
#
# 52 PRO HD3 73 LEU QQD 5.04 (#peak 1944;)
&rst
ixpk= 1944, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1151,1152,1153,1155,1156,1157,
&end
#
# 53 CYZN H 53 CYZN QB 3.55 (#peak 535;)
&rst
ixpk= 535, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 847, 846,
&end
#
# 53 CYZN H 54 GLY QA 5.36 (#peak 1072;)
&rst
ixpk= 1072, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 854, 855,
&end
#
# 53 CYZN H 73 LEU QQD 4.59 (#peak 2290;)
&rst
ixpk= 2290, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr2=1151,1152,1153,1155,1156,1157,
&end
#
# 53 CYZN HA 53 CYZN QB 2.96 (#peak 2596;)
&rst
ixpk= 2596, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 847, 846,
&end
#
# 53 CYZN QB 55 ASN H 5.19 (#peak 271;)
&rst
ixpk= 271, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 847, 846,
&end
#
# 53 CYZN QB 71 CYZN H 5.98 (#peak 416;)
&rst
ixpk= 416, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 847, 846,
&end
#
# 53 CYZN QB 71 CYZN HA 5.98 (#peak 1266;)
&rst
ixpk= 1266, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 847, 846,
&end
#
# 53 CYZN QB 71 CYZN HB2 5.24 (#peak 1446;)
&rst
ixpk= 1446, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 847, 846,
&end
#
# 53 CYZN QB 73 LEU QQD 5.19 (#peak 2285;)
&rst
ixpk= 2285, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 847, 846,
igr2=1151,1152,1153,1155,1156,1157,
&end
#
# 54 GLY QA 56 ARG HG2 5.98 (#peak 748;)
&rst
ixpk= 748, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 854, 855,
&end
#
# 55 ASN HD22 69 SER QB 5.57 (#peak 916;)
&rst
ixpk= 916, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2=1104,1105,
&end
#
# 57 THR QG2 63 LEU QQD 5.31 (#peak 2005;)
&rst
ixpk= 2005, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10,
igr1= 903, 904, 905,
igr2=1005,1006,1007,1009,1010,1011,
&end
#
# 58 ILE H 58 ILE QG1 3.92 (#peak 1078;)
&rst
ixpk= 1078, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 921, 922,
&end
#
# 58 ILE HA 58 ILE QG1 4.12 (#peak 1285;)
&rst
ixpk= 1285, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 921, 922,
&end
#
# 58 ILE QG2 60 LEU QQD 4.83 (#peak 2609;)
&rst
ixpk= 2609, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 917, 918, 919,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 58 ILE QG1 59 SER H 4.96 (#peak 305;)
&rst
ixpk= 305, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 921, 922,
&end
#
# 60 LEU H 61 ASP QB 5.11 (#peak 606;)
&rst
ixpk= 606, nxpk= 0, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 964, 965,
&end
#
# 60 LEU HA 60 LEU QQD 3.21 (#peak 1148;)
&rst
ixpk= 1148, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 60 LEU HB2 60 LEU QQD 3.42 (#peak 1977;)
&rst
ixpk= 1977, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 60 LEU HB3 60 LEU QQD 3.14 (#peak 1139;)
&rst
ixpk= 1139, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 950, 951, 952, 954, 955, 956,
&end
#
# 60 LEU QQD 61 ASP H 4.97 (#peak 1162;)
&rst
ixpk= 1162, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 950, 951, 952, 954, 955, 956,
&end
#
# 61 ASP H 61 ASP QB 3.36 (#peak 578;)
&rst
ixpk= 578, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 964, 965,
&end
#
# 61 ASP QB 62 ARG H 3.12 (#peak 594;)
&rst
ixpk= 594, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 964, 965,
&end
#
# 61 ASP QB 62 ARG HA 5.26 (#peak 2096;)
&rst
ixpk= 2096, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 964, 965,
&end
#
# 61 ASP QB 62 ARG QB 5.28 (#peak 1845;)
&rst
ixpk= 1845, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 964, 965,
igr2= 976, 977,
&end
#
# 61 ASP QB 63 LEU H 3.45 (#peak 328;)
&rst
ixpk= 328, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 964, 965,
&end
#
# 61 ASP QB 63 LEU HA 5.72 (#peak 632;)
&rst
ixpk= 632, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 964, 965,
&end
#
# 61 ASP QB 63 LEU QB 5.29 (#peak 1846;)
&rst
ixpk= 1846, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 964, 965,
igr2=1000,1001,
&end
#
# 61 ASP QB 64 PRO HA 5.36 (#peak 1840;)
&rst
ixpk= 1840, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 964, 965,
&end
#
# 62 ARG QD 63 LEU QQD 5.08 (#peak 1919;)
&rst
ixpk= 1919, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1= 982, 983,
igr2=1005,1006,1007,1009,1010,1011,
&end
#
# 63 LEU H 63 LEU QQD 4.48 (#peak 334;)
&rst
ixpk= 334, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1005,1006,1007,1009,1010,1011,
&end
#
# 63 LEU HA 63 LEU QQD 3.35 (#peak 1897;)
&rst
ixpk= 1897, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1005,1006,1007,1009,1010,1011,
&end
#
# 63 LEU QB 63 LEU QQD 2.88 (#peak 1626;)
&rst
ixpk= 1626, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1000,1001,
igr2=1005,1006,1007,1009,1010,1011,
&end
#
# 63 LEU QQD 64 PRO HG2 5.70 (#peak 1919;)
&rst
ixpk= 1919, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr1=1005,1006,1007,1009,1010,1011,
&end
#
# 63 LEU QQD 64 PRO HD2 3.66 (#peak 1749;)
&rst
ixpk= 1749, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1005,1006,1007,1009,1010,1011,
&end
#
# 63 LEU QQD 64 PRO HD3 4.26 (#peak 1768;)
&rst
ixpk= 1768, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1005,1006,1007,1009,1010,1011,
&end
#
# 63 LEU QQD 65 LYS HA 6.09 (#peak 2201;)
&rst
ixpk= 2201, nxpk= 0, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
igr1=1005,1006,1007,1009,1010,1011,
&end
#
# 63 LEU QQD 74 PHE QD 6.09 (#peak 972;)
&rst
ixpk= 972, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
igr1=1005,1006,1007,1009,1010,1011,
igr2=1169,1177,
&end
#
# 63 LEU QQD 74 PHE QE 4.10 (#peak 988;)
&rst
ixpk= 988, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1005,1006,1007,1009,1010,1011,
igr2=1171,1175,
&end
#
# 63 LEU QQD 74 PHE HZ 4.05 (#peak 986;)
&rst
ixpk= 986, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1005,1006,1007,1009,1010,1011,
&end
#
# 63 LEU QQD 76 TRP H 4.45 (#peak 1623;)
&rst
ixpk= 1623, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1005,1006,1007,1009,1010,1011,
&end
#
# 63 LEU QQD 76 TRP HA 5.61 (#peak 1634;)
&rst
ixpk= 1634, nxpk= 0, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1005,1006,1007,1009,1010,1011,
&end
#
# 63 LEU QQD 76 TRP HB3 4.64 (#peak 1418;)
&rst
ixpk= 1418, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=1005,1006,1007,1009,1010,1011,
&end
#
# 63 LEU QQD 76 TRP HD1 4.07 (#peak 974;)
&rst
ixpk= 974, nxpk= 0, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1005,1006,1007,1009,1010,1011,
&end
#
# 63 LEU QQD 78 ARG HB2 5.43 (#peak 1632;)
&rst
ixpk= 1632, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1=1005,1006,1007,1009,1010,1011,
&end
#
# 64 PRO HA 65 LYS QG 5.95 (#peak 457;)
&rst
ixpk= 457, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2=1036,1037,
&end
#
# 65 LYS H 65 LYS QG 3.85 (#peak 872;)
&rst
ixpk= 872, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1036,1037,
&end
#
# 65 LYS H 65 LYS QD 3.57 (#peak 779;)
&rst
ixpk= 779, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1039,1040,
&end
#
# 65 LYS HA 65 LYS QG 3.88 (#peak 2707;)
&rst
ixpk= 2707, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1036,1037,
&end
#
# 65 LYS QG 65 LYS QE 3.84 (#peak 1377;)
&rst
ixpk= 1377, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1036,1037,
igr2=1042,1043,
&end
#
# 65 LYS QG 66 LYS H 3.94 (#peak 904;)
&rst
ixpk= 904, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1036,1037,
&end
#
# 65 LYS QG 66 LYS HA 4.94 (#peak 641;)
&rst
ixpk= 641, nxpk= 0, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1036,1037,
&end
#
# 65 LYS QG 66 LYS HB3 4.61 (#peak 893;)
&rst
ixpk= 893, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1036,1037,
&end
#
# 65 LYS QD 66 LYS H 4.77 (#peak 903;)
&rst
ixpk= 903, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1039,1040,
&end
#
# 65 LYS QD 66 LYS HA 4.86 (#peak 644;)
&rst
ixpk= 644, nxpk= 0, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1039,1040,
&end
#
# 67 HIS HA 74 PHE QB 4.46 (#peak 511;)
&rst
ixpk= 511, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1165,1166,
&end
#
# 67 HIS HD2 74 PHE QB 4.00 (#peak 860;)
&rst
ixpk= 860, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1165,1166,
&end
#
# 68 CYZN H 73 LEU QB 5.98 (#peak 347;)
&rst
ixpk= 347, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2=1146,1147,
&end
#
# 68 CYZN H 73 LEU QQD 6.09 (#peak 1203;)
&rst
ixpk= 1203, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
igr2=1151,1152,1153,1155,1156,1157,
&end
#
# 68 CYZN H 74 PHE QB 5.43 (#peak 348;)
&rst
ixpk= 348, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1165,1166,
&end
#
# 68 CYZN HA 69 SER QB 5.17 (#peak 474;)
&rst
ixpk= 474, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1104,1105,
&end
#
# 68 CYZN HB2 73 LEU QB 5.98 (#peak 2030;)
&rst
ixpk= 2030, nxpk= 0, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2=1146,1147,
&end
#
# 68 CYZN HB3 73 LEU QB 5.43 (#peak 2031;)
&rst
ixpk= 2031, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1146,1147,
&end
#
# 68 CYZN HB3 73 LEU QQD 5.77 (#peak 2285;)
&rst
ixpk= 2285, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2=1151,1152,1153,1155,1156,1157,
&end
#
# 69 SER H 69 SER QB 3.60 (#peak 355;)
&rst
ixpk= 355, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1104,1105,
&end
#
# 71 CYZN HA 73 LEU QQD 6.07 (#peak 1268;)
&rst
ixpk= 1268, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr2=1151,1152,1153,1155,1156,1157,
&end
#
# 71 CYZN HB2 73 LEU QQD 5.14 (#peak 1453;)
&rst
ixpk= 1453, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1151,1152,1153,1155,1156,1157,
&end
#
# 71 CYZN HB3 73 LEU QQD 5.31 (#peak 1455;)
&rst
ixpk= 1455, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2=1151,1152,1153,1155,1156,1157,
&end
#
# 72 GLY H 73 LEU QB 5.29 (#peak 1094;)
&rst
ixpk= 1094, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1146,1147,
&end
#
# 72 GLY H 73 LEU QQD 5.08 (#peak 384;)
&rst
ixpk= 384, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1151,1152,1153,1155,1156,1157,
&end
#
# 72 GLY HA3 73 LEU QQD 6.09 (#peak 706;)
&rst
ixpk= 706, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
igr2=1151,1152,1153,1155,1156,1157,
&end
#
# 73 LEU H 73 LEU QB 3.36 (#peak 1099;)
&rst
ixpk= 1099, nxpk= 0, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1146,1147,
&end
#
# 73 LEU HA 73 LEU QQD 4.64 (#peak 2288;)
&rst
ixpk= 2288, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2=1151,1152,1153,1155,1156,1157,
&end
#
# 73 LEU QB 73 LEU QQD 2.96 (#peak 2291;)
&rst
ixpk= 2291, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1146,1147,
igr2=1151,1152,1153,1155,1156,1157,
&end
#
# 73 LEU QB 74 PHE H 3.58 (#peak 1100;)
&rst
ixpk= 1100, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=1146,1147,
&end
#
# 73 LEU QB 75 LYS H 5.91 (#peak 1109;)
&rst
ixpk= 1109, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1146,1147,
&end
#
# 73 LEU QB 75 LYS HG2 4.66 (#peak 785;)
&rst
ixpk= 785, nxpk= 0, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1146,1147,
&end
#
# 73 LEU QQD 74 PHE H 3.76 (#peak 1228;)
&rst
ixpk= 1228, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1151,1152,1153,1155,1156,1157,
&end
#
# 73 LEU QQD 75 LYS H 3.89 (#peak 1025;)
&rst
ixpk= 1025, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1151,1152,1153,1155,1156,1157,
&end
#
# 73 LEU QQD 75 LYS HB2 4.66 (#peak 1397;)
&rst
ixpk= 1397, nxpk= 0, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1151,1152,1153,1155,1156,1157,
&end
#
# 73 LEU QQD 75 LYS HB3 5.68 (#peak 1396;)
&rst
ixpk= 1396, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr1=1151,1152,1153,1155,1156,1157,
&end
#
# 73 LEU QQD 75 LYS QD 4.04 (#peak 271;)
&rst
ixpk= 271, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1151,1152,1153,1155,1156,1157,
igr2=1191,1192,
&end
#
# 73 LEU QQD 75 LYS QE 4.36 (#peak 272;)
&rst
ixpk= 272, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1151,1152,1153,1155,1156,1157,
igr2=1194,1195,
&end
#
# 73 LEU QQD 76 TRP H 5.34 (#peak 1037;)
&rst
ixpk= 1037, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1151,1152,1153,1155,1156,1157,
&end
#
# 74 PHE H 74 PHE QB 3.49 (#peak 618;)
&rst
ixpk= 618, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1165,1166,
&end
#
# 74 PHE QB 75 LYS H 4.56 (#peak 400;)
&rst
ixpk= 400, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1165,1166,
&end
#
# 77 GLU HA 77 GLU QG 3.73 (#peak 2329;)
&rst
ixpk= 2329, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1234,1235,
&end
#
# 77 GLU QG 79 VAL HA 5.05 (#peak 2330;)
&rst
ixpk= 2330, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1234,1235,
&end
#
# 77 GLU QG 79 VAL QG1 4.42 (#peak 1931;)
&rst
ixpk= 1931, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1234,1235,
igr2=1272,1273,1274,
&end
#
# 78 ARG H 78 ARG QD 4.84 (#peak 449;)
&rst
ixpk= 449, nxpk= 0, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1252,1253,
&end
#
# 78 ARG HA 78 ARG QD 3.94 (#peak 2279;)
&rst
ixpk= 2279, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1252,1253,
&end
#
# 78 ARG HB3 78 ARG QD 3.96 (#peak 1937;)
&rst
ixpk= 1937, nxpk= 0, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1252,1253,
&end
#
# 78 ARG QD 79 VAL H 4.76 (#peak 1123;)
&rst
ixpk= 1123, nxpk= 0, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1252,1253,
&end
#
# 79 VAL HA 80 GLY QA 5.13 (#peak 2163;)
&rst
ixpk= 2163, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1284,1285,
&end
#
# 79 VAL QG2 80 GLY QA 5.38 (#peak 127;)
&rst
ixpk= 127, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1=1276,1277,1278,
igr2=1284,1285,
&end
#
# 80 GLY H 81 MET QB 5.98 (#peak 645;)
&rst
ixpk= 645, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2=1293,1294,
&end
#
# 80 GLY QA 81 MET H 3.25 (#peak 657;)
&rst
ixpk= 657, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1=1284,1285,
&end
#
# 80 GLY QA 82 LEU QQD 5.31 (#peak 724;)
&rst
ixpk= 724, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
igr1=1284,1285,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 81 MET H 81 MET QB 3.84 (#peak 1407;)
&rst
ixpk= 1407, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1293,1294,
&end
#
# 81 MET QB 82 LEU H 3.84 (#peak 1117;)
&rst
ixpk= 1117, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1293,1294,
&end
#
# 84 GLU H 84 GLU QB 3.42 (#peak 682;)
&rst
ixpk= 682, nxpk= 0, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1351,1352,
&end
#
# 84 GLU QB 85 LYS H 4.63 (#peak 1127;)
&rst
ixpk= 1127, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1351,1352,
&end
#
# 85 LYS H 85 LYS QD 3.74 (#peak 683;)
&rst
ixpk= 683, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1372,1373,
&end
#
# 87 GLY QA 88 PRO QD 3.00 (#peak 1826;)
&rst
ixpk= 1826, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1400,1401,
igr2=1406,1407,
&end
#
# 88 PRO QG 89 LYS H 5.06 (#peak 743;)
&rst
ixpk= 743, nxpk= 0, iat= -1,1419, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1409,1410,
&end
#
# 90 LEU H 90 LEU QB 4.09 (#peak 688;)
&rst
ixpk= 688, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1445,1446,
&end
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