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 |
|
|
559127 |
2m2m   |
18921 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 10 ILE QG2 11 CYX H 4.06 (#peak 3 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 129, 130, 131,
&end
#
# 38 GLY H 39 SER H 4.60 (#peak 5 #SUP 0.98 #QF 0.98)
&rst
ixpk= 5, nxpk= 0, iat= 429, 436, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 37 CYX H 38 GLY H 4.91 (#peak 6 #SUP 0.75 #QF 0.75)
&rst
ixpk= 6, nxpk= 0, iat= 419, 429, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 37 CYX HB2 38 GLY H 4.21 (#peak 9 #SUP 0.96 #QF 0.96)
&rst
ixpk= 9, nxpk= 0, iat= 423, 429, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 37 CYX HB3 38 GLY H 4.21 (#peak 10 #SUP 0.94 #QF 0.94)
&rst
ixpk= 10, nxpk= 0, iat= 424, 429, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 38 GLY H 41 LEU QD2 4.72 (#peak 11 #SUP 0.98 #QF 0.98)
&rst
ixpk= 11, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 477, 478, 479,
&end
#
# 38 GLY H 41 LEU HB2 5.11 (#peak 12 #SUP 0.97 #QF 0.97)
&rst
ixpk= 12, nxpk= 0, iat= 429, 468, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 38 GLY H 41 LEU HB3 5.12 (#peak 13 #SUP 0.91 #QF 0.91)
&rst
ixpk= 13, nxpk= 0, iat= 429, 469, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 39 SER H 40 HIE H 3.40 (#peak 14 #SUP 0.97 #QF 0.97)
&rst
ixpk= 14, nxpk= 0, iat= 436, 447, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 39 SER H 40 HIE HA 5.50 (#peak 16 #SUP 1.00)
&rst
ixpk= 16, nxpk= 0, iat= 436, 449, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLY HA3 39 SER H 2.99 (#peak 17 #SUP 0.91 #QF 0.91)
&rst
ixpk= 17, nxpk= 0, iat= 432, 436, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 39 SER H 39 SER QB 3.11 (#peak 18 #SUP 0.84 #QF 0.84)
&rst
ixpk= 18, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 440, 441,
&end
#
# 38 GLY HA2 39 SER H 3.24 (#peak 19 #SUP 0.97 #QF 0.97)
&rst
ixpk= 19, nxpk= 0, iat= 431, 436, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 39 SER H 42 VAL HB 5.50 (#peak 21 #SUP 0.59 #QF 0.59)
&rst
ixpk= 21, nxpk= 0, iat= 436, 487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 CYX HA 36 LEU H 3.52 (#peak 22 #SUP 0.72 #QF 0.72)
&rst
ixpk= 22, nxpk= 0, iat= 90, 400, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 35 HIE HA 36 LEU H 3.24 (#peak 24 #SUP 0.96 #QF 0.96)
&rst
ixpk= 24, nxpk= 0, iat= 385, 400, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 34 GLN HA 35 HIE H 2.69 (#peak 26 #SUP 0.92 #QF 0.92)
&rst
ixpk= 26, nxpk= 0, iat= 368, 383, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 33 ASN HA 34 GLN H 2.56 (#peak 28 #SUP 0.84 #QF 0.84)
&rst
ixpk= 28, nxpk= 0, iat= 354, 366, r1= 1.30, r2= 1.80, r3= 2.56, r4= 3.06, &end
#
# 32 VAL HA 33 ASN H 2.41 (#peak 30 #SUP 0.79 #QF 0.79)
&rst
ixpk= 30, nxpk= 0, iat= 338, 352, r1= 1.30, r2= 1.80, r3= 2.41, r4= 2.91, &end
#
# 36 LEU HA 37 CYX H 2.66 (#peak 32 #SUP 0.73 #QF 0.73)
&rst
ixpk= 32, nxpk= 0, iat= 402, 419, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, &end
#
# 39 SER QB 40 HIE H 3.61 (#peak 35 #SUP 0.95 #QF 0.95)
&rst
ixpk= 35, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 440, 441,
&end
#
# 42 VAL HA 43 GLU H 3.57 (#peak 37 #SUP 1.00)
&rst
ixpk= 37, nxpk= 0, iat= 485, 499, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 43 GLU H 43 GLU HA 2.88 (#peak 38 #SUP 0.95 #QF 0.95)
&rst
ixpk= 38, nxpk= 0, iat= 499, 501, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 44 ALA H 44 ALA HA 2.83 (#peak 39 #SUP 0.97 #QF 0.97)
&rst
ixpk= 39, nxpk= 0, iat= 514, 516, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 12 SER H 12 SER HB2 3.69 (#peak 41 #SUP 0.97 #QF 0.97)
&rst
ixpk= 41, nxpk= 0, iat= 152, 156, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 12 SER H 12 SER HB3 3.69 (#peak 42 #SUP 0.89 #QF 0.89)
&rst
ixpk= 42, nxpk= 0, iat= 152, 157, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 12 SER HA 13 LEU H 2.63 (#peak 43 #SUP 0.92 #QF 0.92)
&rst
ixpk= 43, nxpk= 0, iat= 154, 163, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, &end
#
# 35 HIE HB3 36 LEU H 4.10 (#peak 58 #SUP 0.98 #QF 0.98)
&rst
ixpk= 58, nxpk= 0, iat= 388, 400, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 35 HIE HB2 36 LEU H 4.35 (#peak 60 #SUP 0.96 #QF 0.96)
&rst
ixpk= 60, nxpk= 0, iat= 387, 400, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 35 HIE H 35 HIE HB2 3.04 (#peak 61 #SUP 0.86 #QF 0.86)
&rst
ixpk= 61, nxpk= 0, iat= 383, 387, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 35 HIE H 35 HIE HB3 3.69 (#peak 62 #SUP 0.98 #QF 0.98)
&rst
ixpk= 62, nxpk= 0, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 13 LEU HA 15 GLN H 4.54 (#peak 64 #SUP 0.95 #QF 0.95)
&rst
ixpk= 64, nxpk= 0, iat= 165, 203, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 20 CYX H 20 CYX HB2 3.18 (#peak 66 #SUP 0.94 #QF 0.94)
&rst
ixpk= 66, nxpk= 0, iat= 289, 293, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 14 TYR H 14 TYR HB3 3.09 (#peak 70 #SUP 0.92 #QF 0.92)
&rst
ixpk= 70, nxpk= 0, iat= 182, 187, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 49 CYX HB3 50 GLY H 4.22 (#peak 71 #SUP 0.91 #QF 0.91)
&rst
ixpk= 71, nxpk= 0, iat= 604, 609, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 49 CYX HB2 50 GLY H 4.22 (#peak 72 #SUP 0.99 #QF 0.99)
&rst
ixpk= 72, nxpk= 0, iat= 603, 609, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 19 TYR H 19 TYR HB3 3.77 (#peak 73 #SUP 0.99 #QF 0.99)
&rst
ixpk= 73, nxpk= 0, iat= 268, 273, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 18 ASN HA 19 TYR H 3.54 (#peak 75 #SUP 1.00)
&rst
ixpk= 75, nxpk= 0, iat= 256, 268, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 19 TYR HA 20 CYX H 3.48 (#peak 76 #SUP 0.97 #QF 0.97)
&rst
ixpk= 76, nxpk= 0, iat= 270, 289, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 9 SER HA 10 ILE H 3.24 (#peak 77 #SUP 0.96 #QF 0.96)
&rst
ixpk= 77, nxpk= 0, iat= 114, 123, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 8 THR QG2 9 SER H 4.72 (#peak 81 #SUP 0.91 #QF 0.91)
&rst
ixpk= 81, nxpk= 0, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 104, 105, 106,
&end
#
# 37 CYX H 40 HIE HB2 3.51 (#peak 82 #SUP 0.95 #QF 0.95)
&rst
ixpk= 82, nxpk= 0, iat= 419, 451, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 37 CYX H 37 CYX HB2 4.00 (#peak 83 #SUP 0.79 #QF 0.79)
&rst
ixpk= 83, nxpk= 0, iat= 419, 423, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 37 CYX H 37 CYX HB3 4.00 (#peak 84 #SUP 0.98 #QF 0.98)
&rst
ixpk= 84, nxpk= 0, iat= 419, 424, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 49 CYX H 49 CYX HB3 3.18 (#peak 85 #SUP 0.91 #QF 0.91)
&rst
ixpk= 85, nxpk= 0, iat= 599, 604, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 49 CYX H 49 CYX HB2 3.18 (#peak 86 #SUP 0.93 #QF 0.93)
&rst
ixpk= 86, nxpk= 0, iat= 599, 603, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 1 GLY QA 2 ILE H 2.57 (#peak 87 #SUP 1.00)
&rst
ixpk= 87, nxpk= 0, iat= -1, 11, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr1= 6, 7,
&end
#
# 19 TYR H 19 TYR HB2 3.03 (#peak 88 #SUP 0.96 #QF 0.96)
&rst
ixpk= 88, nxpk= 0, iat= 268, 272, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 19 TYR HA 19 TYR QD 3.13 (#peak 91 #SUP 0.90 #QF 0.90)
&rst
ixpk= 91, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 276, 285,
&end
#
# 40 HIE H 40 HIE HB2 3.08 (#peak 95 #SUP 0.95 #QF 0.95)
&rst
ixpk= 95, nxpk= 0, iat= 447, 451, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 14 TYR HB2 15 GLN H 4.31 (#peak 96 #SUP 0.99 #QF 0.99)
&rst
ixpk= 96, nxpk= 0, iat= 186, 203, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 55 PHE HA 55 PHE QD 3.09 (#peak 97 #SUP 0.88 #QF 0.88)
&rst
ixpk= 97, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 687, 695,
&end
#
# 33 ASN H 33 ASN QB 2.74 (#peak 98 #SUP 0.91 #QF 0.91)
&rst
ixpk= 98, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2= 356, 357,
&end
#
# 33 ASN QB 34 GLN H 3.73 (#peak 99 #SUP 0.98 #QF 0.98)
&rst
ixpk= 99, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 356, 357,
&end
#
# 18 ASN H 18 ASN HB3 3.37 (#peak 102 #SUP 0.98 #QF 0.98)
&rst
ixpk= 102, nxpk= 0, iat= 254, 259, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 18 ASN H 18 ASN HB2 2.89 (#peak 103 #SUP 0.92 #QF 0.92)
&rst
ixpk= 103, nxpk= 0, iat= 254, 258, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 18 ASN HB2 19 TYR H 3.72 (#peak 104 #SUP 0.98 #QF 0.98)
&rst
ixpk= 104, nxpk= 0, iat= 258, 268, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 18 ASN HB3 19 TYR H 3.87 (#peak 105 #SUP 0.95 #QF 0.95)
&rst
ixpk= 105, nxpk= 0, iat= 259, 268, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 21 ASN H 21 ASN HB2 3.66 (#peak 106 #SUP 0.87 #QF 0.87)
&rst
ixpk= 106, nxpk= 0, iat= 299, 303, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 21 ASN H 21 ASN HB3 3.66 (#peak 107 #SUP 0.36 #QF 0.36)
&rst
ixpk= 107, nxpk= 0, iat= 299, 304, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 40 HIE H 40 HIE HB3 3.43 (#peak 108 #SUP 0.98 #QF 0.98)
&rst
ixpk= 108, nxpk= 0, iat= 447, 452, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 7 CYX H 7 CYX HB3 3.28 (#peak 109 #SUP 0.90 #QF 0.39)
&rst
ixpk= 109, nxpk= 0, iat= 88, 93, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 7 CYX H 7 CYX HB2 3.49 (#peak 111 #SUP 0.90 #QF 0.90)
&rst
ixpk= 111, nxpk= 0, iat= 88, 92, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 56 TYR H 56 TYR QB 2.59 (#peak 112 #SUP 0.65 #QF 0.65)
&rst
ixpk= 112, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
igr2= 703, 704,
&end
#
# 56 TYR QB 57 THR H 3.47 (#peak 113 #SUP 0.94 #QF 0.94)
&rst
ixpk= 113, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 703, 704,
&end
#
# 40 HIE HB2 41 LEU H 4.13 (#peak 117 #SUP 1.00)
&rst
ixpk= 117, nxpk= 0, iat= 451, 464, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 40 HIE HB3 41 LEU H 4.21 (#peak 118 #SUP 0.98 #QF 0.98)
&rst
ixpk= 118, nxpk= 0, iat= 452, 464, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 14 TYR H 14 TYR HA 2.92 (#peak 119 #SUP 0.98 #QF 0.98)
&rst
ixpk= 119, nxpk= 0, iat= 182, 184, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 9 SER HB2 10 ILE H 3.93 (#peak 121 #SUP 0.91 #QF 0.91)
&rst
ixpk= 121, nxpk= 0, iat= 116, 123, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 9 SER HB3 10 ILE H 3.93 (#peak 122 #SUP 0.90 #QF 0.90)
&rst
ixpk= 122, nxpk= 0, iat= 117, 123, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 53 GLY H 53 GLY QA 2.53 (#peak 123 #SUP 1.00)
&rst
ixpk= 123, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,
igr2= 657, 658,
&end
#
# 53 GLY QA 54 HIE H 2.71 (#peak 124 #SUP 1.00)
&rst
ixpk= 124, nxpk= 0, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr1= 657, 658,
&end
#
# 58 PRO HA 59 LYS H 2.72 (#peak 125 #SUP 0.57 #QF 0.57)
&rst
ixpk= 125, nxpk= 0, iat= 744, 748, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 59 LYS HA 60 THR H 2.94 (#peak 126 #SUP 0.56 #QF 0.56)
&rst
ixpk= 126, nxpk= 0, iat= 750, 770, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 9 SER HA 35 HIE HE1 2.97 (#peak 127 #SUP 0.79 #QF 0.79)
&rst
ixpk= 127, nxpk= 0, iat= 114, 392, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 46 TYR HA 49 CYX H 3.97 (#peak 128 #SUP 0.74 #QF 0.74)
&rst
ixpk= 128, nxpk= 0, iat= 545, 599, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 56 TYR HA 57 THR H 2.58 (#peak 129 #SUP 0.74 #QF 0.74)
&rst
ixpk= 129, nxpk= 0, iat= 701, 720, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08, &end
#
# 56 TYR HA 56 TYR QD 3.09 (#peak 131 #SUP 0.90 #QF 0.90)
&rst
ixpk= 131, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 707, 716,
&end
#
# 14 TYR HB3 15 GLN H 4.45 (#peak 133 #SUP 0.99 #QF 0.99)
&rst
ixpk= 133, nxpk= 0, iat= 187, 203, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 18 ASN HB2 19 TYR QD 4.26 (#peak 142 #SUP 0.99 #QF 0.99)
&rst
ixpk= 142, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 276, 285,
&end
#
# 18 ASN HB3 19 TYR QD 4.24 (#peak 143 #SUP 0.97 #QF 0.97)
&rst
ixpk= 143, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 276, 285,
&end
#
# 18 ASN HB2 18 ASN HD22 3.97 (#peak 144 #SUP 1.00)
&rst
ixpk= 144, nxpk= 0, iat= 258, 264, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 48 VAL QG1 49 CYX H 4.27 (#peak 146 #SUP 0.96 #QF 0.96)
&rst
ixpk= 146, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 589, 590, 591,
&end
#
# 48 VAL QG2 49 CYX H 3.24 (#peak 147 #SUP 0.98 #QF 0.98)
&rst
ixpk= 147, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 593, 594, 595,
&end
#
# 48 VAL H 48 VAL QG1 3.74 (#peak 148 #SUP 0.91 #QF 0.91)
&rst
ixpk= 148, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 589, 590, 591,
&end
#
# 48 VAL H 48 VAL QG2 2.84 (#peak 149 #SUP 0.96 #QF 0.96)
&rst
ixpk= 149, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 593, 594, 595,
&end
#
# 48 VAL H 48 VAL HB 3.59 (#peak 150 #SUP 1.00)
&rst
ixpk= 150, nxpk= 0, iat= 583, 587, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 48 VAL HB 49 CYX H 3.80 (#peak 151 #SUP 1.00)
&rst
ixpk= 151, nxpk= 0, iat= 587, 599, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 2 ILE H 2 ILE QG2 2.79 (#peak 152 #SUP 0.83 #QF 0.83)
&rst
ixpk= 152, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr2= 17, 18, 19,
&end
#
# 2 ILE H 3 VAL H 3.20 (#peak 153 #SUP 0.88 #QF 0.88)
&rst
ixpk= 153, nxpk= 0, iat= 11, 30, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 47 LEU H 48 VAL H 3.39 (#peak 154 #SUP 0.81 #QF 0.81)
&rst
ixpk= 154, nxpk= 0, iat= 564, 583, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 2 ILE QG2 3 VAL H 2.84 (#peak 155 #SUP 0.76 #QF 0.76)
&rst
ixpk= 155, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1= 17, 18, 19,
&end
#
# 2 ILE H 2 ILE QD1 4.19 (#peak 156 #SUP 0.99 #QF 0.99)
&rst
ixpk= 156, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 24, 25, 26,
&end
#
# 2 ILE QD1 3 VAL H 4.63 (#peak 157 #SUP 0.98 #QF 0.98)
&rst
ixpk= 157, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 24, 25, 26,
&end
#
# 2 ILE QD1 19 TYR QD 3.46 (#peak 158 #SUP 0.99 #QF 0.99)
&rst
ixpk= 158, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 24, 25, 26,
igr2= 276, 285,
&end
#
# 2 ILE QD1 19 TYR QE 3.98 (#peak 159 #SUP 1.00)
&rst
ixpk= 159, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 24, 25, 26,
igr2= 278, 283,
&end
#
# 10 ILE H 10 ILE HB 3.34 (#peak 160 #SUP 0.90 #QF 0.90)
&rst
ixpk= 160, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 10 ILE QG2 34 GLN H 3.63 (#peak 161 #SUP 0.98 #QF 0.98)
&rst
ixpk= 161, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 129, 130, 131,
&end
#
# 10 ILE H 10 ILE QG2 3.88 (#peak 162 #SUP 1.00)
&rst
ixpk= 162, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 129, 130, 131,
&end
#
# 10 ILE H 10 ILE QD1 4.07 (#peak 163 #SUP 0.99 #QF 0.99)
&rst
ixpk= 163, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 136, 137, 138,
&end
#
# 10 ILE QD1 34 GLN H 4.26 (#peak 164 #SUP 1.00)
&rst
ixpk= 164, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 136, 137, 138,
&end
#
# 10 ILE H 10 ILE HG13 4.38 (#peak 165 #SUP 1.00)
&rst
ixpk= 165, nxpk= 0, iat= 123, 134, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 10 ILE H 10 ILE HG12 4.38 (#peak 166 #SUP 0.90 #QF 0.90)
&rst
ixpk= 166, nxpk= 0, iat= 123, 133, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 10 ILE QD1 35 HIE H 3.94 (#peak 167 #SUP 1.00)
&rst
ixpk= 167, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 136, 137, 138,
&end
#
# 34 GLN H 35 HIE H 4.43 (#peak 168 #SUP 0.99 #QF 0.99)
&rst
ixpk= 168, nxpk= 0, iat= 366, 383, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 35 HIE H 35 HIE HD2 3.26 (#peak 171 #SUP 0.93 #QF 0.93)
&rst
ixpk= 171, nxpk= 0, iat= 383, 396, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 35 HIE HB2 35 HIE HD2 3.31 (#peak 172 #SUP 0.90 #QF 0.90)
&rst
ixpk= 172, nxpk= 0, iat= 387, 396, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 35 HIE HB3 35 HIE HD2 3.97 (#peak 173 #SUP 0.98 #QF 0.98)
&rst
ixpk= 173, nxpk= 0, iat= 388, 396, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 34 GLN HA 35 HIE HD2 4.06 (#peak 174 #SUP 0.93 #QF 0.93)
&rst
ixpk= 174, nxpk= 0, iat= 368, 396, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 10 ILE QD1 35 HIE HD2 3.63 (#peak 175 #SUP 0.97 #QF 0.97)
&rst
ixpk= 175, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 136, 137, 138,
&end
#
# 10 ILE QD1 35 HIE HE1 4.23 (#peak 176 #SUP 1.00)
&rst
ixpk= 176, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 136, 137, 138,
&end
#
# 10 ILE QG2 35 HIE H 4.60 (#peak 177 #SUP 0.99 #QF 0.99)
&rst
ixpk= 177, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 129, 130, 131,
&end
#
# 44 ALA H 44 ALA QB 2.62 (#peak 180 #SUP 0.98 #QF 0.98)
&rst
ixpk= 180, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2= 518, 519, 520,
&end
#
# 44 ALA QB 45 LEU H 2.83 (#peak 181 #SUP 0.73 #QF 0.73)
&rst
ixpk= 181, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 518, 519, 520,
&end
#
# 45 LEU H 45 LEU QD2 3.49 (#peak 182 #SUP 0.99 #QF 0.99)
&rst
ixpk= 182, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 537, 538, 539,
&end
#
# 45 LEU H 45 LEU QD1 3.98 (#peak 183 #SUP 0.99 #QF 0.99)
&rst
ixpk= 183, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 533, 534, 535,
&end
#
# 19 TYR H 45 LEU QD1 4.19 (#peak 184 #SUP 0.89 #QF 0.89)
&rst
ixpk= 184, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 533, 534, 535,
&end
#
# 13 LEU H 13 LEU QD1 4.14 (#peak 185 #SUP 0.99 #QF 0.99)
&rst
ixpk= 185, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 172, 173, 174,
&end
#
# 13 LEU H 13 LEU QD2 3.80 (#peak 186 #SUP 0.90 #QF 0.90)
&rst
ixpk= 186, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 176, 177, 178,
&end
#
# 13 LEU H 13 LEU QB 2.70 (#peak 187 #SUP 0.94 #QF 0.94)
&rst
ixpk= 187, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 167, 168,
&end
#
# 13 LEU QB 14 TYR H 3.53 (#peak 188 #SUP 0.95 #QF 0.95)
&rst
ixpk= 188, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 167, 168,
&end
#
# 13 LEU QD1 14 TYR H 4.03 (#peak 189 #SUP 0.99 #QF 0.99)
&rst
ixpk= 189, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 172, 173, 174,
&end
#
# 13 LEU QD2 14 TYR H 4.10 (#peak 190 #SUP 0.94 #QF 0.88)
&rst
ixpk= 190, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 176, 177, 178,
&end
#
# 20 CYX H 45 LEU QD1 4.72 (#peak 190 #SUP 0.94 #QF 0.88)
&rst
ixpk= 190, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 533, 534, 535,
&end
#
# 36 LEU QD2 37 CYX H 3.69 (#peak 191 #SUP 0.97 #QF 0.97)
&rst
ixpk= 191, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 413, 414, 415,
&end
#
# 36 LEU H 36 LEU QD1 4.47 (#peak 192 #SUP 0.91 #QF 0.91)
&rst
ixpk= 192, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 409, 410, 411,
&end
#
# 36 LEU H 36 LEU QD2 4.49 (#peak 193 #SUP 0.98 #QF 0.98)
&rst
ixpk= 193, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 413, 414, 415,
&end
#
# 45 LEU QD1 49 CYX H 4.30 (#peak 195 #SUP 0.97 #QF 0.97)
&rst
ixpk= 195, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 533, 534, 535,
&end
#
# 42 VAL QG1 43 GLU H 3.87 (#peak 196 #SUP 0.99 #QF 0.99)
&rst
ixpk= 196, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 489, 490, 491,
&end
#
# 42 VAL H 42 VAL QG2 3.79 (#peak 197 #SUP 0.94 #QF 0.94)
&rst
ixpk= 197, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 493, 494, 495,
&end
#
# 42 VAL H 42 VAL QG1 3.79 (#peak 198 #SUP 0.90 #QF 0.90)
&rst
ixpk= 198, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 489, 490, 491,
&end
#
# 42 VAL QG2 43 GLU H 3.87 (#peak 199 #SUP 0.99 #QF 0.99)
&rst
ixpk= 199, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 493, 494, 495,
&end
#
# 43 GLU HB3 44 ALA H 3.37 (#peak 200 #SUP 0.96 #QF 0.96)
&rst
ixpk= 200, nxpk= 0, iat= 504, 514, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 43 GLU HB2 44 ALA H 3.42 (#peak 201 #SUP 0.90 #QF 0.90)
&rst
ixpk= 201, nxpk= 0, iat= 503, 514, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 43 GLU QG 44 ALA H 4.41 (#peak 202 #SUP 0.99 #QF 0.99)
&rst
ixpk= 202, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 506, 507,
&end
#
# 43 GLU H 43 GLU QG 3.17 (#peak 203 #SUP 0.97 #QF 0.97)
&rst
ixpk= 203, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 506, 507,
&end
#
# 43 GLU H 43 GLU HB2 3.00 (#peak 204 #SUP 0.95 #QF 0.95)
&rst
ixpk= 204, nxpk= 0, iat= 499, 503, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 43 GLU H 43 GLU HB3 3.52 (#peak 205 #SUP 1.00)
&rst
ixpk= 205, nxpk= 0, iat= 499, 504, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 42 VAL H 42 VAL HB 3.12 (#peak 206 #SUP 0.96 #QF 0.96)
&rst
ixpk= 206, nxpk= 0, iat= 483, 487, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 42 VAL HB 43 GLU H 3.08 (#peak 207 #SUP 0.59 #QF 0.59)
&rst
ixpk= 207, nxpk= 0, iat= 487, 499, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 34 GLN H 34 GLN HB3 3.67 (#peak 208 #SUP 0.98 #QF 0.98)
&rst
ixpk= 208, nxpk= 0, iat= 366, 371, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 34 GLN H 34 GLN HB2 4.17 (#peak 209 #SUP 0.95 #QF 0.95)
&rst
ixpk= 209, nxpk= 0, iat= 366, 370, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 34 GLN H 34 GLN HG3 3.73 (#peak 210 #SUP 0.93 #QF 0.93)
&rst
ixpk= 210, nxpk= 0, iat= 366, 374, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 34 GLN H 34 GLN HG2 3.50 (#peak 211 #SUP 0.98 #QF 0.98)
&rst
ixpk= 211, nxpk= 0, iat= 366, 373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 GLN HB3 35 HIE H 3.91 (#peak 212 #SUP 0.96 #QF 0.96)
&rst
ixpk= 212, nxpk= 0, iat= 371, 383, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 34 GLN HB2 35 HIE H 3.50 (#peak 213 #SUP 0.95 #QF 0.95)
&rst
ixpk= 213, nxpk= 0, iat= 370, 383, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 GLN HG2 35 HIE H 4.55 (#peak 214 #SUP 0.95 #QF 0.95)
&rst
ixpk= 214, nxpk= 0, iat= 373, 383, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 34 GLN HG3 35 HIE H 3.92 (#peak 215 #SUP 0.97 #QF 0.97)
&rst
ixpk= 215, nxpk= 0, iat= 374, 383, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 36 LEU H 36 LEU QB 3.83 (#peak 216 #SUP 1.00)
&rst
ixpk= 216, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 404, 405,
&end
#
# 36 LEU H 36 LEU HG 4.18 (#peak 217 #SUP 0.99 #QF 0.99)
&rst
ixpk= 217, nxpk= 0, iat= 400, 407, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 59 LYS H 59 LYS HB3 3.91 (#peak 218 #SUP 0.66 #QF 0.66)
&rst
ixpk= 218, nxpk= 0, iat= 748, 753, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 36 LEU QB 37 CYX H 4.30 (#peak 219 #SUP 0.95 #QF 0.95)
&rst
ixpk= 219, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 404, 405,
&end
#
# 51 GLU H 51 GLU HB2 3.31 (#peak 220 #SUP 0.97 #QF 0.97)
&rst
ixpk= 220, nxpk= 0, iat= 616, 620, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 51 GLU H 51 GLU HB3 3.31 (#peak 221 #SUP 0.81 #QF 0.81)
&rst
ixpk= 221, nxpk= 0, iat= 616, 621, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 51 GLU H 51 GLU HG3 4.63 (#peak 222 #SUP 1.00)
&rst
ixpk= 222, nxpk= 0, iat= 616, 624, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 51 GLU H 51 GLU HG2 4.63 (#peak 223 #SUP 1.00)
&rst
ixpk= 223, nxpk= 0, iat= 616, 623, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 17 GLU HB3 18 ASN H 4.25 (#peak 224 #SUP 0.69 #QF 0.69)
&rst
ixpk= 224, nxpk= 0, iat= 244, 254, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 17 GLU HB2 18 ASN H 4.25 (#peak 225 #SUP 0.98 #QF 0.98)
&rst
ixpk= 225, nxpk= 0, iat= 243, 254, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 16 LEU HG 17 GLU H 3.26 (#peak 227 #SUP 0.77 #QF 0.51)
&rst
ixpk= 227, nxpk= 0, iat= 227, 239, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 47 LEU HB3 48 VAL H 4.24 (#peak 228 #SUP 0.89 #QF 0.89)
&rst
ixpk= 228, nxpk= 0, iat= 569, 583, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 47 LEU HB2 48 VAL H 3.42 (#peak 229 #SUP 0.91 #QF 0.91)
&rst
ixpk= 229, nxpk= 0, iat= 568, 583, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 47 LEU H 47 LEU HB3 4.05 (#peak 230 #SUP 0.91 #QF 0.48)
&rst
ixpk= 230, nxpk= 0, iat= 564, 569, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 47 LEU H 47 LEU HB2 3.31 (#peak 231 #SUP 0.67 #QF 0.55)
&rst
ixpk= 231, nxpk= 0, iat= 564, 568, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 47 LEU HG 48 VAL H 4.49 (#peak 233 #SUP 1.00)
&rst
ixpk= 233, nxpk= 0, iat= 571, 583, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 3 VAL HA 7 CYX H 3.87 (#peak 234 #SUP 0.97 #QF 0.91)
&rst
ixpk= 234, nxpk= 0, iat= 32, 88, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 59 LYS H 59 LYS HB2 3.91 (#peak 235 #SUP 0.99 #QF 0.99)
&rst
ixpk= 235, nxpk= 0, iat= 748, 752, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 57 THR H 57 THR QG2 3.75 (#peak 236 #SUP 0.97 #QF 0.97)
&rst
ixpk= 236, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 726, 727, 728,
&end
#
# 8 THR H 8 THR HB 3.74 (#peak 238 #SUP 0.94 #QF 0.94)
&rst
ixpk= 238, nxpk= 0, iat= 98, 102, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 7 CYX HB2 8 THR H 4.36 (#peak 240 #SUP 0.84 #QF 0.84)
&rst
ixpk= 240, nxpk= 0, iat= 92, 98, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 7 CYX HB3 8 THR H 4.09 (#peak 241 #SUP 0.89 #QF 0.89)
&rst
ixpk= 241, nxpk= 0, iat= 93, 98, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 17 GLU H 17 GLU HG2 4.10 (#peak 246 #SUP 0.96 #QF 0.96)
&rst
ixpk= 246, nxpk= 0, iat= 239, 246, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 17 GLU H 17 GLU HG3 4.10 (#peak 247 #SUP 0.97 #QF 0.97)
&rst
ixpk= 247, nxpk= 0, iat= 239, 247, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 17 GLU H 17 GLU HA 2.81 (#peak 249 #SUP 0.67 #QF 0.67)
&rst
ixpk= 249, nxpk= 0, iat= 239, 241, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 2 ILE H 2 ILE HB 3.64 (#peak 251 #SUP 0.77 #QF 0.77)
&rst
ixpk= 251, nxpk= 0, iat= 11, 15, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 2 ILE HB 3 VAL H 4.35 (#peak 252 #SUP 0.99 #QF 0.99)
&rst
ixpk= 252, nxpk= 0, iat= 15, 30, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 57 THR H 57 THR HB 3.94 (#peak 253 #SUP 0.97 #QF 0.97)
&rst
ixpk= 253, nxpk= 0, iat= 720, 724, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 51 GLU H 51 GLU HA 2.91 (#peak 255 #SUP 1.00)
&rst
ixpk= 255, nxpk= 0, iat= 616, 618, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 46 TYR QB 47 LEU H 3.36 (#peak 258 #SUP 0.94 #QF 0.94)
&rst
ixpk= 258, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 547, 548,
&end
#
# 46 TYR HA 46 TYR QD 3.29 (#peak 259 #SUP 0.62 #QF 0.62)
&rst
ixpk= 259, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 551, 560,
&end
#
# 31 PHE HA 31 PHE QD 3.24 (#peak 261 #SUP 0.81 #QF 0.81)
&rst
ixpk= 261, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 324, 332,
&end
#
# 31 PHE HA 31 PHE QE 4.86 (#peak 262 #SUP 0.91 #QF 0.91)
&rst
ixpk= 262, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 326, 330,
&end
#
# 34 GLN HB3 34 GLN HE22 4.72 (#peak 265 #SUP 0.61 #QF 0.61)
&rst
ixpk= 265, nxpk= 0, iat= 371, 379, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 34 GLN HB3 34 GLN HE21 4.46 (#peak 266 #SUP 0.59 #QF 0.59)
&rst
ixpk= 266, nxpk= 0, iat= 371, 378, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 40 HIE HB2 40 HIE HD2 3.84 (#peak 271 #SUP 0.98 #QF 0.98)
&rst
ixpk= 271, nxpk= 0, iat= 451, 460, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 54 HIE HA 54 HIE HD2 4.39 (#peak 273 #SUP 0.93 #QF 0.93)
&rst
ixpk= 273, nxpk= 0, iat= 664, 675, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 46 TYR H 46 TYR QB 2.48 (#peak 274 #SUP 0.71 #QF 0.71)
&rst
ixpk= 274, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,
igr2= 547, 548,
&end
#
# 47 LEU H 47 LEU QD2 3.91 (#peak 275 #SUP 0.87 #QF 0.87)
&rst
ixpk= 275, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 577, 578, 579,
&end
#
# 45 LEU H 45 LEU HB2 2.79 (#peak 280 #SUP 0.63 #QF 0.63)
&rst
ixpk= 280, nxpk= 0, iat= 524, 528, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 52 ARG H 52 ARG QD 4.42 (#peak 281 #SUP 0.75 #QF 0.75)
&rst
ixpk= 281, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 641, 642,
&end
#
# 52 ARG H 52 ARG HA 2.91 (#peak 282 #SUP 0.71 #QF 0.71)
&rst
ixpk= 282, nxpk= 0, iat= 631, 633, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 55 PHE HA 55 PHE QE 4.55 (#peak 284 #SUP 0.86 #QF 0.86)
&rst
ixpk= 284, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 689, 693,
&end
#
# 55 PHE HA 56 TYR H 2.40 (#peak 285 #SUP 0.35 #QF 0.35)
&rst
ixpk= 285, nxpk= 0, iat= 681, 699, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 59 LYS H 59 LYS QG 4.55 (#peak 288 #SUP 0.99 #QF 0.99)
&rst
ixpk= 288, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 755, 756,
&end
#
# 32 VAL H 32 VAL QQG 3.04 (#peak 289 #SUP 0.92 #QF 0.92)
&rst
ixpk= 289, nxpk= 0, iat= 336, 339, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 16 LEU H 16 LEU HB3 2.78 (#peak 290 #SUP 0.60 #QF 0.60)
&rst
ixpk= 290, nxpk= 0, iat= 220, 225, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 31 PHE QB 32 VAL H 3.47 (#peak 291 #SUP 0.96 #QF 0.96)
&rst
ixpk= 291, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 320, 321,
&end
#
# 31 PHE HA 32 VAL H 2.53 (#peak 292 #SUP 0.46 #QF 0.46)
&rst
ixpk= 292, nxpk= 0, iat= 318, 336, r1= 1.30, r2= 1.80, r3= 2.53, r4= 3.03, &end
#
# 13 LEU H 14 TYR HB3 4.85 (#peak 294 #SUP 0.99 #QF 0.99)
&rst
ixpk= 294, nxpk= 0, iat= 163, 187, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 10 ILE QG2 12 SER H 4.80 (#peak 295 #SUP 0.94 #QF 0.94)
&rst
ixpk= 295, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 129, 130, 131,
&end
#
# 12 SER H 15 GLN QB 4.40 (#peak 296 #SUP 1.00)
&rst
ixpk= 296, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 207, 208,
&end
#
# 15 GLN H 15 GLN QB 3.42 (#peak 297 #SUP 1.00)
&rst
ixpk= 297, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 207, 208,
&end
#
# 20 CYX H 20 CYX HB3 3.18 (#peak 302 #SUP 0.44 #QF 0.44)
&rst
ixpk= 302, nxpk= 0, iat= 289, 294, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 41 LEU H 41 LEU HB3 3.50 (#peak 303 #SUP 0.98 #QF 0.98)
&rst
ixpk= 303, nxpk= 0, iat= 464, 469, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 LEU H 41 LEU HB2 3.66 (#peak 304 #SUP 1.00)
&rst
ixpk= 304, nxpk= 0, iat= 464, 468, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 41 LEU H 41 LEU HG 4.74 (#peak 305 #SUP 0.92 #QF 0.92)
&rst
ixpk= 305, nxpk= 0, iat= 464, 471, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 3 VAL H 3 VAL QG2 2.69 (#peak 306 #SUP 0.75 #QF 0.75)
&rst
ixpk= 306, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 40, 41, 42,
&end
#
# 16 LEU QD1 17 GLU H 3.42 (#peak 307 #SUP 0.25 #QF 0.25)
&rst
ixpk= 307, nxpk= 0, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 229, 230, 231,
&end
#
# 17 GLU H 48 VAL QG2 4.56 (#peak 308 #SUP 0.47 #QF 0.24)
&rst
ixpk= 308, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 593, 594, 595,
&end
#
# 46 TYR H 48 VAL QG2 4.78 (#peak 308 #SUP 0.47 #QF 0.24)
&rst
ixpk= 308, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 593, 594, 595,
&end
#
# 45 LEU H 48 VAL QG2 4.18 (#peak 309 #SUP 0.76 #QF 0.76)
&rst
ixpk= 309, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 593, 594, 595,
&end
#
# 10 ILE HB 11 CYX H 5.21 (#peak 310 #SUP 0.82 #QF 0.82)
&rst
ixpk= 310, nxpk= 0, iat= 127, 142, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 33 ASN QB 33 ASN HD22 3.56 (#peak 311 #SUP 0.99 #QF 0.99)
&rst
ixpk= 311, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 356, 357,
&end
#
# 33 ASN QB 33 ASN HD21 3.09 (#peak 312 #SUP 0.96 #QF 0.96)
&rst
ixpk= 312, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr1= 356, 357,
&end
#
# 5 GLN HA 5 GLN HE22 5.04 (#peak 315 #SUP 0.84 #QF 0.84)
&rst
ixpk= 315, nxpk= 0, iat= 63, 74, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 10 ILE HA 10 ILE QG2 3.23 (#peak 325 #SUP 1.00)
&rst
ixpk= 325, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 129, 130, 131,
&end
#
# 10 ILE HA 10 ILE QD1 3.66 (#peak 327 #SUP 0.97 #QF 0.97)
&rst
ixpk= 327, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 136, 137, 138,
&end
#
# 38 GLY HA2 40 HIE H 4.87 (#peak 328 #SUP 0.90 #QF 0.90)
&rst
ixpk= 328, nxpk= 0, iat= 431, 447, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 39 SER H 41 LEU H 5.07 (#peak 330 #SUP 0.87 #QF 0.87)
&rst
ixpk= 330, nxpk= 0, iat= 436, 464, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 37 CYX HA 38 GLY HA3 4.92 (#peak 331 #SUP 0.66 #QF 0.66)
&rst
ixpk= 331, nxpk= 0, iat= 421, 432, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 7 CYX H 37 CYX HA 5.45 (#peak 332 #SUP 0.57 #QF 0.57)
&rst
ixpk= 332, nxpk= 0, iat= 88, 421, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 7 CYX HB2 37 CYX HA 4.16 (#peak 335 #SUP 0.57 #QF 0.57)
&rst
ixpk= 335, nxpk= 0, iat= 92, 421, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 7 CYX HB3 37 CYX HA 5.11 (#peak 336 #SUP 0.77 #QF 0.77)
&rst
ixpk= 336, nxpk= 0, iat= 93, 421, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 37 CYX HA 41 LEU HB3 4.83 (#peak 337 #SUP 0.99 #QF 0.99)
&rst
ixpk= 337, nxpk= 0, iat= 421, 469, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 37 CYX HA 41 LEU HB2 4.53 (#peak 338 #SUP 0.96 #QF 0.96)
&rst
ixpk= 338, nxpk= 0, iat= 421, 468, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 39 SER HA 39 SER QB 2.58 (#peak 339 #SUP 0.99 #QF 0.99)
&rst
ixpk= 339, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr2= 440, 441,
&end
#
# 39 SER HA 42 VAL H 3.90 (#peak 340 #SUP 0.84 #QF 0.84)
&rst
ixpk= 340, nxpk= 0, iat= 438, 483, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 39 SER HA 42 VAL HB 3.14 (#peak 341 #SUP 0.57 #QF 0.57)
&rst
ixpk= 341, nxpk= 0, iat= 438, 487, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 39 SER H 40 HIE HB2 5.16 (#peak 342 #SUP 0.96 #QF 0.96)
&rst
ixpk= 342, nxpk= 0, iat= 436, 451, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 39 SER QB 40 HIE HD2 5.08 (#peak 343 #SUP 0.86 #QF 0.86)
&rst
ixpk= 343, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 440, 441,
&end
#
# 7 CYX HA 35 HIE HA 4.74 (#peak 344 #SUP 0.74 #QF 0.74)
&rst
ixpk= 344, nxpk= 0, iat= 90, 385, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 7 CYX HA 37 CYX H 5.38 (#peak 347 #SUP 0.83 #QF 0.83)
&rst
ixpk= 347, nxpk= 0, iat= 90, 419, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 7 CYX HA 9 SER H 4.77 (#peak 348 #SUP 0.75 #QF 0.75)
&rst
ixpk= 348, nxpk= 0, iat= 90, 112, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 7 CYX HA 8 THR HA 4.81 (#peak 351 #SUP 0.81 #QF 0.81)
&rst
ixpk= 351, nxpk= 0, iat= 90, 100, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 35 HIE H 36 LEU H 4.87 (#peak 353 #SUP 0.96 #QF 0.96)
&rst
ixpk= 353, nxpk= 0, iat= 383, 400, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 36 LEU H 37 CYX H 4.71 (#peak 354 #SUP 1.00)
&rst
ixpk= 354, nxpk= 0, iat= 400, 419, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 7 CYX H 36 LEU H 5.32 (#peak 355 #SUP 0.87 #QF 0.87)
&rst
ixpk= 355, nxpk= 0, iat= 88, 400, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 36 LEU HA 40 HIE HB3 2.88 (#peak 356 #SUP 0.66 #QF 0.66)
&rst
ixpk= 356, nxpk= 0, iat= 402, 452, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 36 LEU HA 36 LEU HG 3.79 (#peak 361 #SUP 0.98 #QF 0.98)
&rst
ixpk= 361, nxpk= 0, iat= 402, 407, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 35 HIE HA 36 LEU HG 4.75 (#peak 368 #SUP 0.87 #QF 0.87)
&rst
ixpk= 368, nxpk= 0, iat= 385, 407, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 35 HIE HA 36 LEU QB 4.58 (#peak 369 #SUP 0.89 #QF 0.89)
&rst
ixpk= 369, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 404, 405,
&end
#
# 12 SER HA 15 GLN H 5.08 (#peak 371 #SUP 0.99 #QF 0.99)
&rst
ixpk= 371, nxpk= 0, iat= 154, 203, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 12 SER HA 14 TYR H 4.59 (#peak 372 #SUP 0.95 #QF 0.95)
&rst
ixpk= 372, nxpk= 0, iat= 154, 182, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 12 SER HA 13 LEU HA 4.52 (#peak 375 #SUP 0.99 #QF 0.99)
&rst
ixpk= 375, nxpk= 0, iat= 154, 165, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 12 SER HA 13 LEU HG 5.28 (#peak 376 #SUP 0.77 #QF 0.77)
&rst
ixpk= 376, nxpk= 0, iat= 154, 170, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 12 SER HA 13 LEU QB 4.46 (#peak 377 #SUP 0.99 #QF 0.99)
&rst
ixpk= 377, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 167, 168,
&end
#
# 12 SER H 15 GLN H 4.96 (#peak 378 #SUP 1.00)
&rst
ixpk= 378, nxpk= 0, iat= 152, 203, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 13 LEU H 15 GLN H 4.40 (#peak 379 #SUP 0.96 #QF 0.96)
&rst
ixpk= 379, nxpk= 0, iat= 163, 203, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 13 LEU H 14 TYR H 3.18 (#peak 380 #SUP 0.95 #QF 0.95)
&rst
ixpk= 380, nxpk= 0, iat= 163, 182, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 12 SER H 16 LEU H 4.75 (#peak 382 #SUP 0.65 #QF 0.65)
&rst
ixpk= 382, nxpk= 0, iat= 152, 220, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 13 LEU H 16 LEU H 5.06 (#peak 383 #SUP 0.89 #QF 0.89)
&rst
ixpk= 383, nxpk= 0, iat= 163, 220, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 46 TYR H 49 CYX H 4.79 (#peak 384 #SUP 0.87 #QF 0.87)
&rst
ixpk= 384, nxpk= 0, iat= 543, 599, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 12 SER H 15 GLN HG3 3.93 (#peak 385 #SUP 0.80 #QF 0.80)
&rst
ixpk= 385, nxpk= 0, iat= 152, 211, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 12 SER H 15 GLN HG2 3.93 (#peak 386 #SUP 0.95 #QF 0.95)
&rst
ixpk= 386, nxpk= 0, iat= 152, 210, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 12 SER HB2 14 TYR H 4.23 (#peak 388 #SUP 0.96 #QF 0.96)
&rst
ixpk= 388, nxpk= 0, iat= 156, 182, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 12 SER HB3 14 TYR H 4.23 (#peak 392 #SUP 0.68 #QF 0.68)
&rst
ixpk= 392, nxpk= 0, iat= 157, 182, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 49 CYX HA 52 ARG H 4.76 (#peak 395 #SUP 0.44 #QF 0.44)
&rst
ixpk= 395, nxpk= 0, iat= 601, 631, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 33 ASN HA 34 GLN HB3 4.75 (#peak 396 #SUP 0.44 #QF 0.44)
&rst
ixpk= 396, nxpk= 0, iat= 354, 371, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 33 ASN HA 34 GLN HG2 4.50 (#peak 400 #SUP 0.90 #QF 0.90)
&rst
ixpk= 400, nxpk= 0, iat= 354, 373, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 VAL HB 49 CYX HA 4.35 (#peak 401 #SUP 0.85 #QF 0.85)
&rst
ixpk= 401, nxpk= 0, iat= 587, 601, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 49 CYX H 51 GLU H 4.78 (#peak 402 #SUP 0.51 #QF 0.51)
&rst
ixpk= 402, nxpk= 0, iat= 599, 616, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 49 CYX H 50 GLY H 2.98 (#peak 403 #SUP 0.87 #QF 0.87)
&rst
ixpk= 403, nxpk= 0, iat= 599, 609, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 48 VAL H 50 GLY H 4.23 (#peak 404 #SUP 0.94 #QF 0.94)
&rst
ixpk= 404, nxpk= 0, iat= 583, 609, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 48 VAL H 49 CYX H 3.03 (#peak 405 #SUP 0.94 #QF 0.94)
&rst
ixpk= 405, nxpk= 0, iat= 583, 599, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 45 LEU HA 49 CYX H 3.77 (#peak 406 #SUP 0.89 #QF 0.89)
&rst
ixpk= 406, nxpk= 0, iat= 526, 599, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 47 LEU HA 49 CYX H 5.50 (#peak 407 #SUP 0.77 #QF 0.77)
&rst
ixpk= 407, nxpk= 0, iat= 566, 599, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LEU H 31 PHE QE 4.86 (#peak 408 #SUP 0.71 #QF 0.71)
&rst
ixpk= 408, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 326, 330,
&end
#
# 35 HIE H 36 LEU HG 5.08 (#peak 409 #SUP 0.98 #QF 0.98)
&rst
ixpk= 409, nxpk= 0, iat= 383, 407, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 33 ASN HA 34 GLN HA 4.88 (#peak 410 #SUP 1.00)
&rst
ixpk= 410, nxpk= 0, iat= 354, 368, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 32 VAL HA 33 ASN HA 4.65 (#peak 411 #SUP 0.96 #QF 0.96)
&rst
ixpk= 411, nxpk= 0, iat= 338, 354, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 33 ASN HA 33 ASN QB 2.82 (#peak 412 #SUP 0.98 #QF 0.98)
&rst
ixpk= 412, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr2= 356, 357,
&end
#
# 33 ASN HA 33 ASN HD21 4.67 (#peak 413 #SUP 0.84 #QF 0.84)
&rst
ixpk= 413, nxpk= 0, iat= 354, 361, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 31 PHE QE 33 ASN HA 3.73 (#peak 414 #SUP 0.95 #QF 0.95)
&rst
ixpk= 414, nxpk= 0, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 326, 330,
&end
#
# 33 ASN HA 33 ASN HD22 4.87 (#peak 415 #SUP 0.99 #QF 0.99)
&rst
ixpk= 415, nxpk= 0, iat= 354, 362, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 12 SER HA 33 ASN HD22 4.58 (#peak 416 #SUP 0.90 #QF 0.90)
&rst
ixpk= 416, nxpk= 0, iat= 154, 362, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 32 VAL H 33 ASN H 4.38 (#peak 417 #SUP 0.96 #QF 0.96)
&rst
ixpk= 417, nxpk= 0, iat= 336, 352, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 32 VAL HB 33 ASN H 4.55 (#peak 418 #SUP 0.95 #QF 0.95)
&rst
ixpk= 418, nxpk= 0, iat= 340, 352, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 33 ASN QB 34 GLN HA 4.57 (#peak 419 #SUP 0.85 #QF 0.85)
&rst
ixpk= 419, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 356, 357,
&end
#
# 34 GLN HA 34 GLN HG2 3.89 (#peak 421 #SUP 0.99 #QF 0.99)
&rst
ixpk= 421, nxpk= 0, iat= 368, 373, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 34 GLN H 36 LEU HG 5.06 (#peak 422 #SUP 0.99 #QF 0.99)
&rst
ixpk= 422, nxpk= 0, iat= 366, 407, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 37 CYX H 40 HIE HB3 3.64 (#peak 423 #SUP 0.97 #QF 0.97)
&rst
ixpk= 423, nxpk= 0, iat= 419, 452, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 7 CYX H 9 SER H 4.36 (#peak 426 #SUP 0.22 #QF 0.22)
&rst
ixpk= 426, nxpk= 0, iat= 88, 112, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 8 THR H 9 SER H 4.38 (#peak 427 #SUP 0.68 #QF 0.68)
&rst
ixpk= 427, nxpk= 0, iat= 98, 112, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 9 SER H 10 ILE H 5.34 (#peak 428 #SUP 1.00 #QF 0.84)
&rst
ixpk= 428, nxpk= 0, iat= 112, 123, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 10 ILE H 35 HIE HD2 5.50 (#peak 428 #SUP 1.00 #QF 0.84)
&rst
ixpk= 428, nxpk= 0, iat= 123, 396, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ASN HA 20 CYX H 3.98 (#peak 430 #SUP 0.89 #QF 0.89)
&rst
ixpk= 430, nxpk= 0, iat= 256, 289, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 18 ASN HA 18 ASN HD22 4.76 (#peak 432 #SUP 0.98 #QF 0.98)
&rst
ixpk= 432, nxpk= 0, iat= 256, 264, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 18 ASN HA 18 ASN HD21 4.52 (#peak 433 #SUP 0.99 #QF 0.99)
&rst
ixpk= 433, nxpk= 0, iat= 256, 263, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 15 GLN HA 18 ASN H 3.72 (#peak 434 #SUP 0.91 #QF 0.91)
&rst
ixpk= 434, nxpk= 0, iat= 205, 254, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 19 TYR H 20 CYX H 2.86 (#peak 435 #SUP 0.88 #QF 0.88)
&rst
ixpk= 435, nxpk= 0, iat= 268, 289, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 18 ASN H 19 TYR H 3.03 (#peak 436 #SUP 0.89 #QF 0.89)
&rst
ixpk= 436, nxpk= 0, iat= 254, 268, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 19 TYR H 19 TYR QD 2.95 (#peak 437 #SUP 0.95 #QF 0.95)
&rst
ixpk= 437, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 276, 285,
&end
#
# 15 GLN H 17 GLU H 4.32 (#peak 438 #SUP 0.91 #QF 0.91)
&rst
ixpk= 438, nxpk= 0, iat= 203, 239, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 14 TYR H 17 GLU H 5.13 (#peak 439 #SUP 0.79 #QF 0.79)
&rst
ixpk= 439, nxpk= 0, iat= 182, 239, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 17 GLU H 18 ASN H 3.09 (#peak 440 #SUP 0.92 #QF 0.92)
&rst
ixpk= 440, nxpk= 0, iat= 239, 254, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 15 GLN H 16 LEU H 3.06 (#peak 441 #SUP 0.92 #QF 0.92)
&rst
ixpk= 441, nxpk= 0, iat= 203, 220, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 20 CYX H 21 ASN H 3.20 (#peak 442 #SUP 0.85 #QF 0.85)
&rst
ixpk= 442, nxpk= 0, iat= 289, 299, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 16 LEU H 18 ASN H 4.52 (#peak 443 #SUP 0.90 #QF 0.90)
&rst
ixpk= 443, nxpk= 0, iat= 220, 254, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 16 LEU HA 18 ASN H 3.98 (#peak 444 #SUP 0.91 #QF 0.91)
&rst
ixpk= 444, nxpk= 0, iat= 222, 254, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 41 LEU HA 44 ALA H 4.10 (#peak 446 #SUP 0.77 #QF 0.77)
&rst
ixpk= 446, nxpk= 0, iat= 466, 514, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 41 LEU HA 41 LEU HG 3.79 (#peak 448 #SUP 0.92 #QF 0.92)
&rst
ixpk= 448, nxpk= 0, iat= 466, 471, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 36 LEU QB 41 LEU HA 3.80 (#peak 449 #SUP 0.70 #QF 0.70)
&rst
ixpk= 449, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 404, 405,
&end
#
# 40 HIE H 41 LEU H 3.19 (#peak 450 #SUP 0.92 #QF 0.92)
&rst
ixpk= 450, nxpk= 0, iat= 447, 464, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 31 PHE QE 44 ALA HA 4.90 (#peak 451 #SUP 0.70 #QF 0.70)
&rst
ixpk= 451, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 326, 330,
&end
#
# 16 LEU H 19 TYR QD 4.56 (#peak 452 #SUP 0.99 #QF 0.99)
&rst
ixpk= 452, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 276, 285,
&end
#
# 31 PHE QD 32 VAL H 3.95 (#peak 453 #SUP 0.89 #QF 0.89)
&rst
ixpk= 453, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 324, 332,
&end
#
# 40 HIE HA 43 GLU H 4.00 (#peak 454 #SUP 0.96 #QF 0.96)
&rst
ixpk= 454, nxpk= 0, iat= 449, 499, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 40 HIE HA 44 ALA H 4.24 (#peak 455 #SUP 0.98 #QF 0.98)
&rst
ixpk= 455, nxpk= 0, iat= 449, 514, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 40 HIE HA 43 GLU HB2 3.54 (#peak 457 #SUP 0.82 #QF 0.82)
&rst
ixpk= 457, nxpk= 0, iat= 449, 503, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 40 HIE HA 43 GLU HB3 4.25 (#peak 458 #SUP 0.98 #QF 0.98)
&rst
ixpk= 458, nxpk= 0, iat= 449, 504, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 38 GLY HA3 40 HIE H 4.13 (#peak 459 #SUP 0.84 #QF 0.84)
&rst
ixpk= 459, nxpk= 0, iat= 432, 447, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 40 HIE H 42 VAL H 4.52 (#peak 460 #SUP 0.97 #QF 0.97)
&rst
ixpk= 460, nxpk= 0, iat= 447, 483, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 42 VAL H 43 GLU H 3.19 (#peak 461 #SUP 0.97 #QF 0.97)
&rst
ixpk= 461, nxpk= 0, iat= 483, 499, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 40 HIE H 40 HIE HD2 4.23 (#peak 462 #SUP 0.98 #QF 0.98)
&rst
ixpk= 462, nxpk= 0, iat= 447, 460, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 40 HIE H 41 LEU HB3 5.50 (#peak 463 #SUP 0.91 #QF 0.91)
&rst
ixpk= 463, nxpk= 0, iat= 447, 469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LEU HB3 43 GLU H 5.19 (#peak 464 #SUP 0.75 #QF 0.75)
&rst
ixpk= 464, nxpk= 0, iat= 469, 499, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 3 VAL HA 7 CYX HB2 4.49 (#peak 465 #SUP 0.70 #QF 0.70)
&rst
ixpk= 465, nxpk= 0, iat= 32, 92, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 3 VAL HA 3 VAL QG1 3.13 (#peak 466 #SUP 0.98 #QF 0.98)
&rst
ixpk= 466, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 36, 37, 38,
&end
#
# 3 VAL HA 41 LEU QD2 3.59 (#peak 467 #SUP 0.62 #QF 0.62)
&rst
ixpk= 467, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 477, 478, 479,
&end
#
# 56 TYR H 57 THR QG2 5.48 (#peak 468 #SUP 0.34 #QF 0.34)
&rst
ixpk= 468, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 726, 727, 728,
&end
#
# 7 CYX HA 36 LEU QB 5.01 (#peak 470 #SUP 0.93 #QF 0.93)
&rst
ixpk= 470, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 404, 405,
&end
#
# 3 VAL QG2 4 GLU H 4.15 (#peak 471 #SUP 0.95 #QF 0.95)
&rst
ixpk= 471, nxpk= 0, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 40, 41, 42,
&end
#
# 3 VAL QG1 4 GLU H 4.22 (#peak 472 #SUP 0.99 #QF 0.95)
&rst
ixpk= 472, nxpk= 0, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 36, 37, 38,
&end
#
# 3 VAL QG1 7 CYX H 4.46 (#peak 472 #SUP 0.99 #QF 0.95)
&rst
ixpk= 472, nxpk= 0, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 36, 37, 38,
&end
#
# 7 CYX H 41 LEU QD2 3.97 (#peak 473 #SUP 0.90 #QF 0.90)
&rst
ixpk= 473, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 477, 478, 479,
&end
#
# 7 CYX H 41 LEU QD1 3.94 (#peak 474 #SUP 0.79 #QF 0.79)
&rst
ixpk= 474, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 473, 474, 475,
&end
#
# 59 LYS HB2 60 THR H 4.94 (#peak 475 #SUP 0.82 #QF 0.82)
&rst
ixpk= 475, nxpk= 0, iat= 752, 770, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 59 LYS HB3 60 THR H 4.94 (#peak 476 #SUP 0.99 #QF 0.99)
&rst
ixpk= 476, nxpk= 0, iat= 753, 770, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 19 TYR H 20 CYX HA 5.14 (#peak 478 #SUP 0.82 #QF 0.82)
&rst
ixpk= 478, nxpk= 0, iat= 268, 291, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 40 HIE HB3 40 HIE HD2 3.81 (#peak 479 #SUP 0.60 #QF 0.60)
&rst
ixpk= 479, nxpk= 0, iat= 452, 460, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 18 ASN H 19 TYR HB2 5.11 (#peak 480 #SUP 0.89 #QF 0.89)
&rst
ixpk= 480, nxpk= 0, iat= 254, 272, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 14 TYR HB2 15 GLN HA 4.79 (#peak 481 #SUP 0.76 #QF 0.76)
&rst
ixpk= 481, nxpk= 0, iat= 186, 205, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 15 GLN HA 18 ASN HD21 3.92 (#peak 482 #SUP 0.87 #QF 0.87)
&rst
ixpk= 482, nxpk= 0, iat= 205, 263, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 13 LEU HG 14 TYR HA 4.58 (#peak 486 #SUP 0.85 #QF 0.85)
&rst
ixpk= 486, nxpk= 0, iat= 170, 184, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 13 LEU QB 14 TYR HA 4.59 (#peak 487 #SUP 0.96 #QF 0.96)
&rst
ixpk= 487, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 167, 168,
&end
#
# 13 LEU HG 14 TYR H 4.04 (#peak 488 #SUP 0.95 #QF 0.95)
&rst
ixpk= 488, nxpk= 0, iat= 170, 182, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 18 ASN HB2 20 CYX H 5.50 (#peak 489 #SUP 0.97 #QF 0.91)
&rst
ixpk= 489, nxpk= 0, iat= 258, 289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 GLY QA 54 HIE HA 4.21 (#peak 491 #SUP 0.93 #QF 0.93)
&rst
ixpk= 491, nxpk= 0, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 657, 658,
&end
#
# 13 LEU HA 13 LEU HG 3.88 (#peak 492 #SUP 0.85 #QF 0.85)
&rst
ixpk= 492, nxpk= 0, iat= 165, 170, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 13 LEU H 13 LEU HG 3.49 (#peak 494 #SUP 0.99 #QF 0.99)
&rst
ixpk= 494, nxpk= 0, iat= 163, 170, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 48 VAL H 49 CYX HB2 5.31 (#peak 495 #SUP 0.98 #QF 0.98)
&rst
ixpk= 495, nxpk= 0, iat= 583, 603, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 50 GLY H 51 GLU H 3.22 (#peak 496 #SUP 0.86 #QF 0.86)
&rst
ixpk= 496, nxpk= 0, iat= 609, 616, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 47 LEU HA 50 GLY H 4.75 (#peak 497 #SUP 0.81 #QF 0.81)
&rst
ixpk= 497, nxpk= 0, iat= 566, 609, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 46 TYR HA 50 GLY H 3.95 (#peak 498 #SUP 0.64 #QF 0.64)
&rst
ixpk= 498, nxpk= 0, iat= 545, 609, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 42 VAL H 44 ALA H 4.77 (#peak 502 #SUP 0.96 #QF 0.96)
&rst
ixpk= 502, nxpk= 0, iat= 483, 514, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 41 LEU HB2 42 VAL H 3.91 (#peak 504 #SUP 0.98 #QF 0.98)
&rst
ixpk= 504, nxpk= 0, iat= 468, 483, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 41 LEU HG 42 VAL H 4.38 (#peak 505 #SUP 0.88 #QF 0.88)
&rst
ixpk= 505, nxpk= 0, iat= 471, 483, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 42 VAL HA 44 ALA H 4.88 (#peak 506 #SUP 1.00)
&rst
ixpk= 506, nxpk= 0, iat= 485, 514, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 42 VAL HA 46 TYR QB 5.03 (#peak 507 #SUP 0.90 #QF 0.90)
&rst
ixpk= 507, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 547, 548,
&end
#
# 42 VAL HA 46 TYR H 4.65 (#peak 508 #SUP 0.84 #QF 0.84)
&rst
ixpk= 508, nxpk= 0, iat= 485, 543, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 42 VAL HA 45 LEU H 3.91 (#peak 509 #SUP 0.94 #QF 0.94)
&rst
ixpk= 509, nxpk= 0, iat= 485, 524, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 10 ILE H 35 HIE HE1 4.30 (#peak 511 #SUP 0.99 #QF 0.99)
&rst
ixpk= 511, nxpk= 0, iat= 123, 392, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 46 TYR HA 46 TYR QB 2.69 (#peak 512 #SUP 0.84 #QF 0.84)
&rst
ixpk= 512, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr2= 547, 548,
&end
#
# 43 GLU HA 46 TYR QB 2.85 (#peak 513 #SUP 0.73 #QF 0.73)
&rst
ixpk= 513, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2= 547, 548,
&end
#
# 46 TYR QD 47 LEU HA 3.24 (#peak 515 #SUP 0.54 #QF 0.54)
&rst
ixpk= 515, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 551, 560,
&end
#
# 46 TYR QE 47 LEU HA 4.38 (#peak 516 #SUP 0.68 #QF 0.68)
&rst
ixpk= 516, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 553, 558,
&end
#
# 47 LEU HA 47 LEU HB3 2.99 (#peak 517 #SUP 0.34 #QF 0.34)
&rst
ixpk= 517, nxpk= 0, iat= 566, 569, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 43 GLU H 44 ALA H 3.06 (#peak 518 #SUP 0.97 #QF 0.97)
&rst
ixpk= 518, nxpk= 0, iat= 499, 514, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 44 ALA H 45 LEU H 3.06 (#peak 519 #SUP 0.83 #QF 0.83)
&rst
ixpk= 519, nxpk= 0, iat= 514, 524, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 7 CYX HB2 37 CYX H 5.50 (#peak 521 #SUP 0.52 #QF 0.52)
&rst
ixpk= 521, nxpk= 0, iat= 92, 419, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 TYR HA 48 VAL H 4.89 (#peak 525 #SUP 0.97 #QF 0.97)
&rst
ixpk= 525, nxpk= 0, iat= 545, 583, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 45 LEU H 46 TYR QB 4.86 (#peak 526 #SUP 0.87 #QF 0.87)
&rst
ixpk= 526, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 547, 548,
&end
#
# 46 TYR H 47 LEU H 3.35 (#peak 527 #SUP 0.72 #QF 0.72)
&rst
ixpk= 527, nxpk= 0, iat= 543, 564, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 52 ARG H 53 GLY H 3.20 (#peak 528 #SUP 0.78 #QF 0.78)
&rst
ixpk= 528, nxpk= 0, iat= 631, 655, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 46 TYR H 46 TYR QD 4.37 (#peak 529 #SUP 0.75 #QF 0.75)
&rst
ixpk= 529, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 551, 560,
&end
#
# 46 TYR QD 47 LEU H 4.28 (#peak 530 #SUP 0.67 #QF 0.67)
&rst
ixpk= 530, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 551, 560,
&end
#
# 56 TYR QE 57 THR H 4.97 (#peak 531 #SUP 0.99 #QF 0.99)
&rst
ixpk= 531, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 709, 714,
&end
#
# 19 TYR H 19 TYR QE 4.67 (#peak 532 #SUP 0.92 #QF 0.92)
&rst
ixpk= 532, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 278, 283,
&end
#
# 5 GLN HA 5 GLN HG2 3.72 (#peak 536 #SUP 0.98 #QF 0.98)
&rst
ixpk= 536, nxpk= 0, iat= 63, 68, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 5 GLN HA 5 GLN HG3 3.72 (#peak 537 #SUP 0.66 #QF 0.66)
&rst
ixpk= 537, nxpk= 0, iat= 63, 69, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 5 GLN HA 5 GLN HE21 5.04 (#peak 538 #SUP 0.80 #QF 0.80)
&rst
ixpk= 538, nxpk= 0, iat= 63, 73, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 4 GLU H 4 GLU QG 4.29 (#peak 540 #SUP 0.82 #QF 0.74)
&rst
ixpk= 540, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 53, 54,
&end
#
# 13 LEU QB 14 TYR HB3 5.42 (#peak 543 #SUP 0.92 #QF 0.92)
&rst
ixpk= 543, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 167, 168,
&end
#
# 40 HIE HA 40 HIE HD2 4.20 (#peak 545 #SUP 0.87 #QF 0.87)
&rst
ixpk= 545, nxpk= 0, iat= 449, 460, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 10 ILE HG12 35 HIE HD2 5.05 (#peak 546 #SUP 0.99 #QF 0.99)
&rst
ixpk= 546, nxpk= 0, iat= 133, 396, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 10 ILE HG13 35 HIE HD2 5.05 (#peak 547 #SUP 0.96 #QF 0.96)
&rst
ixpk= 547, nxpk= 0, iat= 134, 396, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 34 GLN HB3 35 HIE HD2 5.33 (#peak 548 #SUP 0.95 #QF 0.95)
&rst
ixpk= 548, nxpk= 0, iat= 371, 396, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 53 GLY QA 54 HIE HD2 4.38 (#peak 549 #SUP 0.70 #QF 0.70)
&rst
ixpk= 549, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 657, 658,
&end
#
# 19 TYR HB3 21 ASN H 5.50 (#peak 552 #SUP 0.66 #QF 0.51)
&rst
ixpk= 552, nxpk= 0, iat= 273, 299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 GLU H 19 TYR QD 4.47 (#peak 553 #SUP 0.96 #QF 0.96)
&rst
ixpk= 553, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 276, 285,
&end
#
# 16 LEU H 19 TYR QE 5.04 (#peak 554 #SUP 0.91 #QF 0.91)
&rst
ixpk= 554, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 278, 283,
&end
#
# 56 TYR HA 56 TYR QE 4.42 (#peak 556 #SUP 0.63 #QF 0.63)
&rst
ixpk= 556, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 709, 714,
&end
#
# 56 TYR QD 57 THR H 3.87 (#peak 557 #SUP 0.98 #QF 0.98)
&rst
ixpk= 557, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 707, 716,
&end
#
# 57 THR H 58 PRO QD 4.72 (#peak 558 #SUP 0.91 #QF 0.91)
&rst
ixpk= 558, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 735, 736,
&end
#
# 56 TYR QD 57 THR HA 4.96 (#peak 559 #SUP 0.91 #QF 0.91)
&rst
ixpk= 559, nxpk= 0, iat= -1, 722, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 707, 716,
&end
#
# 52 ARG HA 53 GLY QA 4.72 (#peak 560 #SUP 0.99 #QF 0.99)
&rst
ixpk= 560, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 657, 658,
&end
#
# 52 ARG HA 52 ARG HG3 4.03 (#peak 561 #SUP 0.96 #QF 0.96)
&rst
ixpk= 561, nxpk= 0, iat= 633, 639, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 52 ARG HA 52 ARG HG2 4.03 (#peak 562 #SUP 0.52 #QF 0.52)
&rst
ixpk= 562, nxpk= 0, iat= 633, 638, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 52 ARG HA 52 ARG QD 4.48 (#peak 563 #SUP 0.95 #QF 0.95)
&rst
ixpk= 563, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 641, 642,
&end
#
# 19 TYR H 20 CYX HB2 5.08 (#peak 569 #SUP 0.68 #QF 0.68)
&rst
ixpk= 569, nxpk= 0, iat= 268, 293, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 15 GLN QB 16 LEU H 3.67 (#peak 571 #SUP 0.95 #QF 0.95)
&rst
ixpk= 571, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 207, 208,
&end
#
# 56 TYR QE 58 PRO QG 5.13 (#peak 575 #SUP 0.46 #QF 0.46)
&rst
ixpk= 575, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 709, 714,
igr2= 738, 739,
&end
#
# 16 LEU HG 48 VAL HB 4.65 (#peak 579 #SUP 0.80 #QF 0.80)
&rst
ixpk= 579, nxpk= 0, iat= 227, 587, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 2 ILE HB 19 TYR QD 4.16 (#peak 580 #SUP 0.95 #QF 0.95)
&rst
ixpk= 580, nxpk= 0, iat= 15, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 276, 285,
&end
#
# 2 ILE HB 19 TYR QE 4.12 (#peak 581 #SUP 0.69 #QF 0.69)
&rst
ixpk= 581, nxpk= 0, iat= 15, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 278, 283,
&end
#
# 33 ASN H 33 ASN HD21 4.38 (#peak 583 #SUP 0.95 #QF 0.95)
&rst
ixpk= 583, nxpk= 0, iat= 352, 361, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 31 PHE QE 34 GLN H 4.85 (#peak 586 #SUP 0.96 #QF 0.94)
&rst
ixpk= 586, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 326, 330,
&end
#
# 41 LEU H 42 VAL HB 5.50 (#peak 588 #SUP 0.95 #QF 0.95)
&rst
ixpk= 588, nxpk= 0, iat= 464, 487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ARG HG3 52 ARG HE 3.90 (#peak 589 #SUP 0.92 #QF 0.92)
&rst
ixpk= 589, nxpk= 0, iat= 639, 644, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 52 ARG HG2 52 ARG HE 3.90 (#peak 590 #SUP 0.99 #QF 0.99)
&rst
ixpk= 590, nxpk= 0, iat= 638, 644, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 42 VAL H 44 ALA QB 5.20 (#peak 591 #SUP 0.78 #QF 0.78)
&rst
ixpk= 591, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 518, 519, 520,
&end
#
# 16 LEU HB3 19 TYR QD 4.88 (#peak 592 #SUP 0.77 #QF 0.77)
&rst
ixpk= 592, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 276, 285,
&end
#
# 16 LEU HG 19 TYR QD 5.24 (#peak 593 #SUP 0.90 #QF 0.90)
&rst
ixpk= 593, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 276, 285,
&end
#
# 13 LEU H 31 PHE QD 4.94 (#peak 596 #SUP 0.99 #QF 0.99)
&rst
ixpk= 596, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 324, 332,
&end
#
# 13 LEU H 14 TYR QD 4.76 (#peak 597 #SUP 0.95 #QF 0.95)
&rst
ixpk= 597, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 190, 199,
&end
#
# 13 LEU H 33 ASN HD22 5.02 (#peak 598 #SUP 0.92 #QF 0.92)
&rst
ixpk= 598, nxpk= 0, iat= 163, 362, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 2 ILE H 19 TYR QD 4.34 (#peak 599 #SUP 0.99 #QF 0.99)
&rst
ixpk= 599, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 276, 285,
&end
#
# 31 PHE QD 33 ASN H 4.62 (#peak 600 #SUP 0.99 #QF 0.99)
&rst
ixpk= 600, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 324, 332,
&end
#
# 33 ASN H 33 ASN HD22 4.69 (#peak 601 #SUP 0.90 #QF 0.90)
&rst
ixpk= 601, nxpk= 0, iat= 352, 362, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 2 ILE H 19 TYR QE 3.62 (#peak 602 #SUP 0.92 #QF 0.92)
&rst
ixpk= 602, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 278, 283,
&end
#
# 5 GLN H 19 TYR QE 5.50 (#peak 604 #SUP 0.81 #QF 0.53)
&rst
ixpk= 604, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 278, 283,
&end
#
# 56 TYR QE 59 LYS H 5.50 (#peak 604 #SUP 0.81 #QF 0.53)
&rst
ixpk= 604, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 709, 714,
&end
#
# 37 CYX H 41 LEU H 4.62 (#peak 605 #SUP 1.00)
&rst
ixpk= 605, nxpk= 0, iat= 419, 464, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 37 CYX H 40 HIE H 4.33 (#peak 606 #SUP 0.94 #QF 0.94)
&rst
ixpk= 606, nxpk= 0, iat= 419, 447, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 37 CYX H 40 HIE HD2 4.98 (#peak 607 #SUP 0.90 #QF 0.90)
&rst
ixpk= 607, nxpk= 0, iat= 419, 460, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 55 PHE H 55 PHE QD 4.69 (#peak 608 #SUP 0.89 #QF 0.59)
&rst
ixpk= 608, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 687, 695,
&end
#
# 55 PHE QD 56 TYR H 4.92 (#peak 608 #SUP 0.89 #QF 0.59)
&rst
ixpk= 608, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 687, 695,
&end
#
# 56 TYR H 56 TYR QD 4.24 (#peak 609 #SUP 0.87 #QF 0.87)
&rst
ixpk= 609, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 707, 716,
&end
#
# 14 TYR QD 15 GLN H 4.19 (#peak 610 #SUP 0.98 #QF 0.98)
&rst
ixpk= 610, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 190, 199,
&end
#
# 14 TYR H 14 TYR QD 3.60 (#peak 612 #SUP 0.92 #QF 0.92)
&rst
ixpk= 612, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 190, 199,
&end
#
# 18 ASN H 18 ASN HD22 5.12 (#peak 613 #SUP 1.00)
&rst
ixpk= 613, nxpk= 0, iat= 254, 264, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 19 TYR HA 21 ASN H 4.27 (#peak 614 #SUP 0.71 #QF 0.71)
&rst
ixpk= 614, nxpk= 0, iat= 270, 299, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 18 ASN HA 21 ASN H 4.94 (#peak 615 #SUP 0.79 #QF 0.79)
&rst
ixpk= 615, nxpk= 0, iat= 256, 299, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 13 LEU H 14 TYR HA 5.28 (#peak 616 #SUP 0.96 #QF 0.96)
&rst
ixpk= 616, nxpk= 0, iat= 163, 184, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 13 LEU H 33 ASN HA 5.40 (#peak 618 #SUP 0.55 #QF 0.55)
&rst
ixpk= 618, nxpk= 0, iat= 163, 354, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 31 PHE HZ 33 ASN HA 5.33 (#peak 620 #SUP 0.90 #QF 0.90)
&rst
ixpk= 620, nxpk= 0, iat= 328, 354, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 12 SER HA 31 PHE QE 4.23 (#peak 622 #SUP 0.92 #QF 0.92)
&rst
ixpk= 622, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 326, 330,
&end
#
# 12 SER HA 31 PHE QD 4.88 (#peak 623 #SUP 0.84 #QF 0.84)
&rst
ixpk= 623, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 324, 332,
&end
#
# 40 HIE HA 42 VAL H 5.15 (#peak 624 #SUP 0.78 #QF 0.78)
&rst
ixpk= 624, nxpk= 0, iat= 449, 483, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 46 TYR QD 51 GLU HA 5.50 (#peak 627 #SUP 0.76 #QF 0.76)
&rst
ixpk= 627, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 551, 560,
&end
#
# 37 CYX H 41 LEU HA 4.76 (#peak 632 #SUP 0.95 #QF 0.95)
&rst
ixpk= 632, nxpk= 0, iat= 419, 466, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 2 ILE H 3 VAL HA 5.50 (#peak 636 #SUP 0.92 #QF 0.92)
&rst
ixpk= 636, nxpk= 0, iat= 11, 32, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 PHE QB 33 ASN H 5.28 (#peak 637 #SUP 0.99 #QF 0.99)
&rst
ixpk= 637, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 320, 321,
&end
#
# 46 TYR QB 48 VAL H 5.11 (#peak 638 #SUP 0.98 #QF 0.98)
&rst
ixpk= 638, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 547, 548,
&end
#
# 43 GLU H 46 TYR QB 5.05 (#peak 639 #SUP 0.98 #QF 0.98)
&rst
ixpk= 639, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 547, 548,
&end
#
# 44 ALA H 46 TYR QB 5.12 (#peak 640 #SUP 1.00)
&rst
ixpk= 640, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 547, 548,
&end
#
# 46 TYR QB 50 GLY H 5.17 (#peak 641 #SUP 0.97 #QF 0.97)
&rst
ixpk= 641, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 547, 548,
&end
#
# 41 LEU H 42 VAL HA 5.50 (#peak 642 #SUP 0.63 #QF 0.63)
&rst
ixpk= 642, nxpk= 0, iat= 464, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 HIE HA 35 HIE HE1 5.37 (#peak 645 #SUP 0.49 #QF 0.49)
&rst
ixpk= 645, nxpk= 0, iat= 385, 392, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 10 ILE HA 35 HIE HE1 4.94 (#peak 646 #SUP 0.37 #QF 0.37)
&rst
ixpk= 646, nxpk= 0, iat= 125, 392, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 13 LEU HA 31 PHE QE 4.58 (#peak 648 #SUP 0.25 #QF 0.25)
&rst
ixpk= 648, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 326, 330,
&end
#
# 31 PHE QD 33 ASN HA 3.87 (#peak 649 #SUP 0.67 #QF 0.67)
&rst
ixpk= 649, nxpk= 0, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 324, 332,
&end
#
# 20 CYX H 21 ASN HA 5.50 (#peak 650 #SUP 0.98 #QF 0.98)
&rst
ixpk= 650, nxpk= 0, iat= 289, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 VAL H 43 GLU HB2 4.72 (#peak 653 #SUP 0.28 #QF 0.28)
&rst
ixpk= 653, nxpk= 0, iat= 483, 503, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 48 VAL HB 50 GLY H 5.50 (#peak 654 #SUP 0.82 #QF 0.82)
&rst
ixpk= 654, nxpk= 0, iat= 587, 609, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU H 18 ASN HB2 5.50 (#peak 655 #SUP 0.96 #QF 0.83)
&rst
ixpk= 655, nxpk= 0, iat= 220, 258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 VAL H 3 VAL HB 2.64 (#peak 659 #SUP 0.53 #QF 0.53)
&rst
ixpk= 659, nxpk= 0, iat= 30, 34, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14, &end
#
# 58 PRO QG 59 LYS H 4.24 (#peak 660 #SUP 0.80 #QF 0.80)
&rst
ixpk= 660, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 738, 739,
&end
#
# 47 LEU HB2 49 CYX H 5.50 (#peak 662 #SUP 0.99 #QF 0.99)
&rst
ixpk= 662, nxpk= 0, iat= 568, 599, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LEU H 16 LEU HG 5.50 (#peak 663 #SUP 0.60 #QF 0.60)
&rst
ixpk= 663, nxpk= 0, iat= 163, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 LEU HG 37 CYX H 5.31 (#peak 664 #SUP 0.98 #QF 0.98)
&rst
ixpk= 664, nxpk= 0, iat= 407, 419, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 41 LEU HB3 44 ALA H 5.50 (#peak 665 #SUP 0.27 #QF 0.27)
&rst
ixpk= 665, nxpk= 0, iat= 469, 514, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ALA H 45 LEU HB2 5.03 (#peak 666 #SUP 0.69 #QF 0.69)
&rst
ixpk= 666, nxpk= 0, iat= 514, 528, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 15 GLN H 16 LEU HB3 4.47 (#peak 668 #SUP 0.98 #QF 0.98)
&rst
ixpk= 668, nxpk= 0, iat= 203, 225, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 14 TYR H 16 LEU HB3 5.50 (#peak 669 #SUP 0.55 #QF 0.55)
&rst
ixpk= 669, nxpk= 0, iat= 182, 225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU HB3 18 ASN H 5.50 (#peak 670 #SUP 0.99 #QF 0.99)
&rst
ixpk= 670, nxpk= 0, iat= 225, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLN H 16 LEU HG 4.69 (#peak 671 #SUP 0.91 #QF 0.91)
&rst
ixpk= 671, nxpk= 0, iat= 203, 227, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 16 LEU HG 18 ASN H 4.84 (#peak 672 #SUP 0.83 #QF 0.83)
&rst
ixpk= 672, nxpk= 0, iat= 227, 254, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 41 LEU HB3 42 VAL H 3.44 (#peak 673 #SUP 0.87 #QF 0.83)
&rst
ixpk= 673, nxpk= 0, iat= 469, 483, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 46 TYR QD 47 LEU HG 4.11 (#peak 674 #SUP 0.99 #QF 0.99)
&rst
ixpk= 674, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 551, 560,
&end
#
# 46 TYR QD 47 LEU HB2 5.11 (#peak 675 #SUP 0.84 #QF 0.84)
&rst
ixpk= 675, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 551, 560,
&end
#
# 31 PHE QD 33 ASN QB 5.07 (#peak 678 #SUP 0.88 #QF 0.88)
&rst
ixpk= 678, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 324, 332,
igr2= 356, 357,
&end
#
# 42 VAL H 43 GLU QG 5.50 (#peak 679 #SUP 0.78 #QF 0.78)
&rst
ixpk= 679, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 506, 507,
&end
#
# 31 PHE QE 33 ASN QB 4.93 (#peak 680 #SUP 0.98 #QF 0.98)
&rst
ixpk= 680, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 326, 330,
igr2= 356, 357,
&end
#
# 43 GLU QG 46 TYR QD 5.47 (#peak 681 #SUP 0.91 #QF 0.91)
&rst
ixpk= 681, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 506, 507,
igr2= 551, 560,
&end
#
# 48 VAL H 49 CYX HB3 5.31 (#peak 682 #SUP 0.69 #QF 0.69)
&rst
ixpk= 682, nxpk= 0, iat= 583, 604, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 13 LEU H 33 ASN QB 5.50 (#peak 683 #SUP 0.66 #QF 0.66)
&rst
ixpk= 683, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 356, 357,
&end
#
# 19 TYR H 20 CYX HB3 5.08 (#peak 685 #SUP 0.77 #QF 0.77)
&rst
ixpk= 685, nxpk= 0, iat= 268, 294, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 31 PHE QE 44 ALA QB 4.67 (#peak 687 #SUP 0.95 #QF 0.95)
&rst
ixpk= 687, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 326, 330,
igr2= 518, 519, 520,
&end
#
# 31 PHE HZ 44 ALA QB 5.09 (#peak 688 #SUP 0.68 #QF 0.68)
&rst
ixpk= 688, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 518, 519, 520,
&end
#
# 13 LEU QB 15 GLN H 4.73 (#peak 690 #SUP 0.99 #QF 0.99)
&rst
ixpk= 690, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 167, 168,
&end
#
# 13 LEU QB 31 PHE QE 4.79 (#peak 691 #SUP 0.99 #QF 0.99)
&rst
ixpk= 691, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 167, 168,
igr2= 326, 330,
&end
#
# 31 PHE QE 48 VAL QG2 4.45 (#peak 692 #SUP 0.93 #QF 0.93)
&rst
ixpk= 692, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 326, 330,
igr2= 593, 594, 595,
&end
#
# 31 PHE HZ 48 VAL QG2 5.26 (#peak 693 #SUP 0.87 #QF 0.87)
&rst
ixpk= 693, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 593, 594, 595,
&end
#
# 31 PHE QD 48 VAL QG2 5.28 (#peak 694 #SUP 0.98 #QF 0.98)
&rst
ixpk= 694, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 324, 332,
igr2= 593, 594, 595,
&end
#
# 55 PHE QE 57 THR QG2 4.95 (#peak 695 #SUP 0.66 #QF 0.66)
&rst
ixpk= 695, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 689, 693,
igr2= 726, 727, 728,
&end
#
# 55 PHE QD 57 THR QG2 4.85 (#peak 696 #SUP 0.80 #QF 0.80)
&rst
ixpk= 696, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 687, 695,
igr2= 726, 727, 728,
&end
#
# 43 GLU H 44 ALA QB 4.72 (#peak 697 #SUP 1.00)
&rst
ixpk= 697, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 518, 519, 520,
&end
#
# 40 HIE H 41 LEU HB2 5.07 (#peak 698 #SUP 1.00)
&rst
ixpk= 698, nxpk= 0, iat= 447, 468, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 37 CYX H 41 LEU HB2 4.58 (#peak 699 #SUP 0.90 #QF 0.90)
&rst
ixpk= 699, nxpk= 0, iat= 419, 468, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 41 LEU HG 45 LEU H 4.91 (#peak 701 #SUP 0.57 #QF 0.57)
&rst
ixpk= 701, nxpk= 0, iat= 471, 524, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 13 LEU QB 17 GLU H 4.92 (#peak 703 #SUP 0.77 #QF 0.77)
&rst
ixpk= 703, nxpk= 0, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 167, 168,
&end
#
# 37 CYX H 41 LEU QD2 4.96 (#peak 706 #SUP 0.88 #QF 0.88)
&rst
ixpk= 706, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 477, 478, 479,
&end
#
# 32 VAL QQG 34 GLN H 4.52 (#peak 708 #SUP 0.66 #QF 0.66)
&rst
ixpk= 708, nxpk= 0, iat= 339, 366, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22, &end
#
# 34 GLN H 36 LEU QD2 4.75 (#peak 709 #SUP 0.95 #QF 0.95)
&rst
ixpk= 709, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 413, 414, 415,
&end
#
# 32 VAL QQG 35 HIE H 5.50 (#peak 711 #SUP 0.73 #QF 0.73)
&rst
ixpk= 711, nxpk= 0, iat= 339, 383, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 34 GLN H 36 LEU QD1 4.95 (#peak 712 #SUP 0.67 #QF 0.67)
&rst
ixpk= 712, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 409, 410, 411,
&end
#
# 10 ILE HB 35 HIE HE1 5.43 (#peak 713 #SUP 0.95 #QF 0.95)
&rst
ixpk= 713, nxpk= 0, iat= 127, 392, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 44 ALA QB 48 VAL H 4.81 (#peak 714 #SUP 0.76 #QF 0.76)
&rst
ixpk= 714, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 518, 519, 520,
&end
#
# 5 GLN H 8 THR QG2 4.26 (#peak 716 #SUP 0.88 #QF 0.49)
&rst
ixpk= 716, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 104, 105, 106,
&end
#
# 7 CYX H 8 THR QG2 4.76 (#peak 716 #SUP 0.88 #QF 0.49)
&rst
ixpk= 716, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 104, 105, 106,
&end
#
# 8 THR H 8 THR QG2 3.89 (#peak 717 #SUP 0.98 #QF 0.98)
&rst
ixpk= 717, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 104, 105, 106,
&end
#
# 36 LEU QD2 40 HIE H 5.24 (#peak 721 #SUP 0.99 #QF 0.99)
&rst
ixpk= 721, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 413, 414, 415,
&end
#
# 43 GLU H 45 LEU QD2 5.50 (#peak 722 #SUP 0.97 #QF 0.97)
&rst
ixpk= 722, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 537, 538, 539,
&end
#
# 44 ALA H 47 LEU QD1 4.60 (#peak 723 #SUP 0.49 #QF 0.49)
&rst
ixpk= 723, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 573, 574, 575,
&end
#
# 36 LEU QD1 44 ALA H 3.82 (#peak 724 #SUP 0.45 #QF 0.45)
&rst
ixpk= 724, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 409, 410, 411,
&end
#
# 2 ILE HG12 19 TYR H 5.50 (#peak 725 #SUP 0.45 #QF 0.45)
&rst
ixpk= 725, nxpk= 0, iat= 21, 268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU QD2 44 ALA H 5.50 (#peak 726 #SUP 0.44 #QF 0.44)
&rst
ixpk= 726, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 233, 234, 235,
&end
#
# 41 LEU QD1 44 ALA H 5.26 (#peak 727 #SUP 0.96 #QF 0.96)
&rst
ixpk= 727, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 473, 474, 475,
&end
#
# 36 LEU QD2 44 ALA H 5.14 (#peak 729 #SUP 1.00 #QF 0.57)
&rst
ixpk= 729, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 413, 414, 415,
&end
#
# 44 ALA H 45 LEU QD2 5.43 (#peak 729 #SUP 1.00 #QF 0.57)
&rst
ixpk= 729, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 537, 538, 539,
&end
#
# 2 ILE QD1 19 TYR H 4.58 (#peak 730 #SUP 1.00)
&rst
ixpk= 730, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 24, 25, 26,
&end
#
# 47 LEU H 48 VAL QG2 4.31 (#peak 732 #SUP 0.68 #QF 0.68)
&rst
ixpk= 732, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 593, 594, 595,
&end
#
# 36 LEU H 41 LEU QD1 5.03 (#peak 733 #SUP 0.81 #QF 0.81)
&rst
ixpk= 733, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 473, 474, 475,
&end
#
# 36 LEU QD2 40 HIE HE1 4.72 (#peak 734 #SUP 0.90 #QF 0.90)
&rst
ixpk= 734, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 413, 414, 415,
&end
#
# 45 LEU QD2 49 CYX H 5.50 (#peak 735 #SUP 0.95 #QF 0.95)
&rst
ixpk= 735, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 537, 538, 539,
&end
#
# 10 ILE QG2 33 ASN H 5.27 (#peak 736 #SUP 0.95 #QF 0.95)
&rst
ixpk= 736, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 129, 130, 131,
&end
#
# 2 ILE QD1 5 GLN H 4.92 (#peak 737 #SUP 0.21 #QF 0.21)
&rst
ixpk= 737, nxpk= 0, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 24, 25, 26,
&end
#
# 46 TYR H 47 LEU HG 4.79 (#peak 741 #SUP 0.70 #QF 0.70)
&rst
ixpk= 741, nxpk= 0, iat= 543, 571, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 15 GLN QB 19 TYR QD 5.16 (#peak 742 #SUP 0.64 #QF 0.64)
&rst
ixpk= 742, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 207, 208,
igr2= 276, 285,
&end
#
# 16 LEU QD1 19 TYR QD 4.33 (#peak 745 #SUP 0.94 #QF 0.94)
&rst
ixpk= 745, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 229, 230, 231,
igr2= 276, 285,
&end
#
# 2 ILE HG12 19 TYR QD 4.41 (#peak 746 #SUP 0.92 #QF 0.92)
&rst
ixpk= 746, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 276, 285,
&end
#
# 2 ILE QG2 19 TYR QD 3.76 (#peak 747 #SUP 0.44 #QF 0.44)
&rst
ixpk= 747, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 17, 18, 19,
igr2= 276, 285,
&end
#
# 31 PHE QE 36 LEU QD1 4.07 (#peak 748 #SUP 0.82 #QF 0.68)
&rst
ixpk= 748, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 326, 330,
igr2= 409, 410, 411,
&end
#
# 34 GLN HE21 36 LEU QD1 4.60 (#peak 748 #SUP 0.82 #QF 0.68)
&rst
ixpk= 748, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 409, 410, 411,
&end
#
# 13 LEU QD2 31 PHE QE 4.47 (#peak 750 #SUP 0.59 #QF 0.59)
&rst
ixpk= 750, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 176, 177, 178,
igr2= 326, 330,
&end
#
# 34 GLN HE21 36 LEU QD2 4.22 (#peak 751 #SUP 0.98 #QF 0.98)
&rst
ixpk= 751, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 413, 414, 415,
&end
#
# 31 PHE HZ 36 LEU QD2 5.03 (#peak 752 #SUP 0.48 #QF 0.48)
&rst
ixpk= 752, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 413, 414, 415,
&end
#
# 13 LEU QD2 31 PHE QD 3.83 (#peak 753 #SUP 0.77 #QF 0.77)
&rst
ixpk= 753, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 176, 177, 178,
igr2= 324, 332,
&end
#
# 13 LEU QD1 31 PHE QD 4.13 (#peak 754 #SUP 0.75 #QF 0.75)
&rst
ixpk= 754, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 172, 173, 174,
igr2= 324, 332,
&end
#
# 41 LEU H 41 LEU QD2 4.27 (#peak 756 #SUP 0.96 #QF 0.96)
&rst
ixpk= 756, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 477, 478, 479,
&end
#
# 41 LEU H 41 LEU QD1 4.38 (#peak 757 #SUP 0.88 #QF 0.88)
&rst
ixpk= 757, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 473, 474, 475,
&end
#
# 10 ILE QG2 35 HIE HD2 4.95 (#peak 760 #SUP 0.98 #QF 0.98)
&rst
ixpk= 760, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 129, 130, 131,
&end
#
# 10 ILE QG2 33 ASN HD21 4.56 (#peak 761 #SUP 0.96 #QF 0.96)
&rst
ixpk= 761, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 129, 130, 131,
&end
#
# 15 GLN H 16 LEU QD2 5.22 (#peak 762 #SUP 0.95 #QF 0.95)
&rst
ixpk= 762, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 233, 234, 235,
&end
#
# 13 LEU QD2 15 GLN H 5.23 (#peak 763 #SUP 0.92 #QF 0.92)
&rst
ixpk= 763, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 176, 177, 178,
&end
#
# 18 ASN H 45 LEU QD1 5.50 (#peak 764 #SUP 0.95 #QF 0.95)
&rst
ixpk= 764, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 533, 534, 535,
&end
#
# 18 ASN H 48 VAL QG1 5.50 (#peak 765 #SUP 0.26 #QF 0.26)
&rst
ixpk= 765, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 589, 590, 591,
&end
#
# 3 VAL QG1 8 THR H 4.86 (#peak 767 #SUP 0.72 #QF 0.72)
&rst
ixpk= 767, nxpk= 0, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 36, 37, 38,
&end
#
# 34 GLN HE22 36 LEU QD2 4.09 (#peak 768 #SUP 0.68 #QF 0.68)
&rst
ixpk= 768, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 413, 414, 415,
&end
#
# 32 VAL QQG 34 GLN HE22 4.35 (#peak 772 #SUP 0.41 #QF 0.41)
&rst
ixpk= 772, nxpk= 0, iat= 339, 379, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, &end
#
# 10 ILE QG2 33 ASN HD22 5.50 (#peak 773 #SUP 0.99 #QF 0.99)
&rst
ixpk= 773, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 129, 130, 131,
&end
#
# 13 LEU QD2 14 TYR QD 4.88 (#peak 774 #SUP 0.90 #QF 0.90)
&rst
ixpk= 774, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 176, 177, 178,
igr2= 190, 199,
&end
#
# 13 LEU QD1 14 TYR QD 4.54 (#peak 775 #SUP 0.98 #QF 0.98)
&rst
ixpk= 775, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 172, 173, 174,
igr2= 190, 199,
&end
#
# 13 LEU HG 14 TYR QD 4.73 (#peak 777 #SUP 0.98 #QF 0.98)
&rst
ixpk= 777, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 190, 199,
&end
#
# 13 LEU QB 14 TYR QD 5.32 (#peak 778 #SUP 0.96 #QF 0.96)
&rst
ixpk= 778, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 167, 168,
igr2= 190, 199,
&end
#
# 56 TYR QD 57 THR QG2 5.36 (#peak 779 #SUP 0.98 #QF 0.98)
&rst
ixpk= 779, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 707, 716,
igr2= 726, 727, 728,
&end
#
# 5 GLN HB2 19 TYR QE 4.74 (#peak 781 #SUP 0.88 #QF 0.88)
&rst
ixpk= 781, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 278, 283,
&end
#
# 5 GLN HB3 19 TYR QE 4.74 (#peak 782 #SUP 0.89 #QF 0.89)
&rst
ixpk= 782, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 278, 283,
&end
#
# 18 ASN HB2 19 TYR QE 4.69 (#peak 783 #SUP 0.77 #QF 0.77)
&rst
ixpk= 783, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 278, 283,
&end
#
# 18 ASN HB3 19 TYR QE 4.50 (#peak 784 #SUP 0.90 #QF 0.90)
&rst
ixpk= 784, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 278, 283,
&end
#
# 14 TYR QD 15 GLN QB 4.64 (#peak 791 #SUP 0.95 #QF 0.82)
&rst
ixpk= 791, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 190, 199,
igr2= 207, 208,
&end
#
# 56 TYR QD 58 PRO HB3 5.27 (#peak 791 #SUP 0.95 #QF 0.82)
&rst
ixpk= 791, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 707, 716,
&end
#
# 14 TYR QD 15 GLN HA 4.02 (#peak 795 #SUP 0.66 #QF 0.66)
&rst
ixpk= 795, nxpk= 0, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 190, 199,
&end
#
# 14 TYR QE 15 GLN HA 5.05 (#peak 798 #SUP 0.67 #QF 0.67)
&rst
ixpk= 798, nxpk= 0, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 192, 197,
&end
#
# 1 GLY QA 19 TYR QE 3.43 (#peak 801 #SUP 0.78 #QF 0.78)
&rst
ixpk= 801, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 6, 7,
igr2= 278, 283,
&end
#
# 16 LEU HA 19 TYR QE 3.26 (#peak 804 #SUP 0.90 #QF 0.90)
&rst
ixpk= 804, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 278, 283,
&end
#
# 56 TYR QE 58 PRO HA 4.00 (#peak 805 #SUP 0.85 #QF 0.85)
&rst
ixpk= 805, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 709, 714,
&end
#
# 46 TYR QE 51 GLU HA 5.23 (#peak 806 #SUP 0.71 #QF 0.71)
&rst
ixpk= 806, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 553, 558,
&end
#
# 56 TYR QD 58 PRO HA 4.53 (#peak 807 #SUP 0.98 #QF 0.98)
&rst
ixpk= 807, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 707, 716,
&end
#
# 10 ILE QG2 10 ILE HG13 3.80 (#peak 810 #SUP 0.84 #QF 0.84)
&rst
ixpk= 810, nxpk= 0, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 129, 130, 131,
&end
#
# 10 ILE QD1 34 GLN HB2 4.36 (#peak 811 #SUP 0.91 #QF 0.91)
&rst
ixpk= 811, nxpk= 0, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 136, 137, 138,
&end
#
# 10 ILE QD1 34 GLN HB3 4.13 (#peak 812 #SUP 0.99 #QF 0.99)
&rst
ixpk= 812, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 136, 137, 138,
&end
#
# 10 ILE HB 10 ILE QD1 3.30 (#peak 813 #SUP 0.99 #QF 0.99)
&rst
ixpk= 813, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 136, 137, 138,
&end
#
# 10 ILE QG2 10 ILE QD1 2.78 (#peak 815 #SUP 0.97 #QF 0.97)
&rst
ixpk= 815, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 129, 130, 131,
igr2= 136, 137, 138,
&end
#
# 2 ILE QG2 2 ILE QD1 3.38 (#peak 816 #SUP 0.69 #QF 0.69)
&rst
ixpk= 816, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 17, 18, 19,
igr2= 24, 25, 26,
&end
#
# 2 ILE HB 2 ILE QD1 3.20 (#peak 818 #SUP 0.84 #QF 0.84)
&rst
ixpk= 818, nxpk= 0, iat= 15, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 24, 25, 26,
&end
#
# 10 ILE QG2 10 ILE HG12 3.80 (#peak 819 #SUP 0.98 #QF 0.98)
&rst
ixpk= 819, nxpk= 0, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 129, 130, 131,
&end
#
# 10 ILE QG2 34 GLN HB2 5.20 (#peak 821 #SUP 0.84 #QF 0.84)
&rst
ixpk= 821, nxpk= 0, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 129, 130, 131,
&end
#
# 10 ILE QG2 34 GLN HB3 4.75 (#peak 822 #SUP 0.92 #QF 0.92)
&rst
ixpk= 822, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 129, 130, 131,
&end
#
# 2 ILE QD1 16 LEU HG 5.06 (#peak 823 #SUP 0.86 #QF 0.86)
&rst
ixpk= 823, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 24, 25, 26,
&end
#
# 2 ILE QD1 41 LEU HG 4.54 (#peak 825 #SUP 0.82 #QF 0.82)
&rst
ixpk= 825, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 24, 25, 26,
&end
#
# 36 LEU QB 36 LEU QD2 3.36 (#peak 826 #SUP 0.75 #QF 0.75)
&rst
ixpk= 826, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 404, 405,
igr2= 413, 414, 415,
&end
#
# 45 LEU HB2 45 LEU QD2 3.02 (#peak 827 #SUP 0.97 #QF 0.97)
&rst
ixpk= 827, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 537, 538, 539,
&end
#
# 44 ALA QB 45 LEU QD2 2.89 (#peak 829 #SUP 0.66 #QF 0.66)
&rst
ixpk= 829, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 518, 519, 520,
igr2= 537, 538, 539,
&end
#
# 13 LEU QB 13 LEU QD1 2.81 (#peak 831 #SUP 0.98 #QF 0.98)
&rst
ixpk= 831, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 167, 168,
igr2= 172, 173, 174,
&end
#
# 45 LEU QD2 48 VAL QG2 3.94 (#peak 832 #SUP 0.97 #QF 0.97)
&rst
ixpk= 832, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 537, 538, 539,
igr2= 593, 594, 595,
&end
#
# 16 LEU QD2 48 VAL QG2 3.27 (#peak 835 #SUP 0.73 #QF 0.73)
&rst
ixpk= 835, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 233, 234, 235,
igr2= 593, 594, 595,
&end
#
# 45 LEU QD1 48 VAL QG2 3.14 (#peak 836 #SUP 0.53 #QF 0.53)
&rst
ixpk= 836, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 533, 534, 535,
igr2= 593, 594, 595,
&end
#
# 41 LEU HB2 41 LEU QD2 3.12 (#peak 839 #SUP 0.95 #QF 0.95)
&rst
ixpk= 839, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 477, 478, 479,
&end
#
# 41 LEU HB2 41 LEU QD1 3.27 (#peak 840 #SUP 0.99 #QF 0.99)
&rst
ixpk= 840, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 473, 474, 475,
&end
#
# 3 VAL QG1 8 THR QG2 5.49 (#peak 841 #SUP 0.74 #QF 0.54)
&rst
ixpk= 841, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr1= 36, 37, 38,
igr2= 104, 105, 106,
&end
#
# 3 VAL QG1 41 LEU HB2 5.50 (#peak 841 #SUP 0.74 #QF 0.54)
&rst
ixpk= 841, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 36, 37, 38,
&end
#
# 2 ILE HG13 41 LEU HG 4.11 (#peak 844 #SUP 0.27 #QF 0.27)
&rst
ixpk= 844, nxpk= 0, iat= 22, 471, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 36 LEU QD1 44 ALA QB 2.69 (#peak 845 #SUP 0.37 #QF 0.37)
&rst
ixpk= 845, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 409, 410, 411,
igr2= 518, 519, 520,
&end
#
# 16 LEU QD2 44 ALA QB 3.09 (#peak 846 #SUP 0.55 #QF 0.55)
&rst
ixpk= 846, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 233, 234, 235,
igr2= 518, 519, 520,
&end
#
# 41 LEU QD1 44 ALA QB 3.63 (#peak 847 #SUP 0.48 #QF 0.48)
&rst
ixpk= 847, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 473, 474, 475,
igr2= 518, 519, 520,
&end
#
# 45 LEU HB2 45 LEU QD1 3.36 (#peak 849 #SUP 0.98 #QF 0.98)
&rst
ixpk= 849, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 533, 534, 535,
&end
#
# 16 LEU HG 48 VAL QG2 3.36 (#peak 851 #SUP 0.52 #QF 0.52)
&rst
ixpk= 851, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 593, 594, 595,
&end
#
# 44 ALA QB 48 VAL QG2 3.52 (#peak 853 #SUP 0.61 #QF 0.61)
&rst
ixpk= 853, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 518, 519, 520,
igr2= 593, 594, 595,
&end
#
# 36 LEU QB 36 LEU QD1 2.84 (#peak 855 #SUP 0.98 #QF 0.98)
&rst
ixpk= 855, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 404, 405,
igr2= 409, 410, 411,
&end
#
# 36 LEU QB 41 LEU QD1 3.34 (#peak 856 #SUP 0.75 #QF 0.75)
&rst
ixpk= 856, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 404, 405,
igr2= 473, 474, 475,
&end
#
# 47 LEU HB3 47 LEU QD1 2.99 (#peak 857 #SUP 0.94 #QF 0.90)
&rst
ixpk= 857, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 573, 574, 575,
&end
#
# 41 LEU HB3 41 LEU QD1 3.24 (#peak 858 #SUP 0.61 #QF 0.61)
&rst
ixpk= 858, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 473, 474, 475,
&end
#
# 43 GLU HB2 44 ALA QB 4.40 (#peak 865 #SUP 0.44 #QF 0.44)
&rst
ixpk= 865, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 518, 519, 520,
&end
#
# 43 GLU HB3 44 ALA QB 4.34 (#peak 866 #SUP 0.95 #QF 0.95)
&rst
ixpk= 866, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 518, 519, 520,
&end
#
# 48 VAL QG2 49 CYX HB2 4.70 (#peak 867 #SUP 0.88 #QF 0.88)
&rst
ixpk= 867, nxpk= 0, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 593, 594, 595,
&end
#
# 48 VAL QG2 49 CYX HB3 4.70 (#peak 868 #SUP 0.82 #QF 0.82)
&rst
ixpk= 868, nxpk= 0, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 593, 594, 595,
&end
#
# 17 GLU HG3 48 VAL QG2 4.28 (#peak 869 #SUP 0.77 #QF 0.77)
&rst
ixpk= 869, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 593, 594, 595,
&end
#
# 17 GLU HG2 48 VAL QG2 4.28 (#peak 870 #SUP 0.83 #QF 0.83)
&rst
ixpk= 870, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 593, 594, 595,
&end
#
# 17 GLU HG2 48 VAL QG1 3.53 (#peak 872 #SUP 0.77 #QF 0.77)
&rst
ixpk= 872, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 589, 590, 591,
&end
#
# 16 LEU QD2 48 VAL HB 4.30 (#peak 876 #SUP 0.59 #QF 0.59)
&rst
ixpk= 876, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 233, 234, 235,
&end
#
# 45 LEU QD1 48 VAL HB 4.40 (#peak 877 #SUP 0.77 #QF 0.77)
&rst
ixpk= 877, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 533, 534, 535,
&end
#
# 34 GLN HG3 36 LEU QD2 3.59 (#peak 878 #SUP 0.67 #QF 0.67)
&rst
ixpk= 878, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 413, 414, 415,
&end
#
# 32 VAL QQG 34 GLN HG2 4.22 (#peak 880 #SUP 0.54 #QF 0.54)
&rst
ixpk= 880, nxpk= 0, iat= 339, 373, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end
#
# 34 GLN HG2 36 LEU QD2 4.00 (#peak 881 #SUP 0.99 #QF 0.99)
&rst
ixpk= 881, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 413, 414, 415,
&end
#
# 34 GLN HB2 36 LEU QD2 4.35 (#peak 883 #SUP 0.69 #QF 0.69)
&rst
ixpk= 883, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 413, 414, 415,
&end
#
# 43 GLU QG 47 LEU HG 4.93 (#peak 885 #SUP 0.91 #QF 0.91)
&rst
ixpk= 885, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 506, 507,
&end
#
# 10 ILE QG2 33 ASN QB 3.08 (#peak 888 #SUP 0.94 #QF 0.94)
&rst
ixpk= 888, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 129, 130, 131,
igr2= 356, 357,
&end
#
# 10 ILE QD1 33 ASN QB 3.93 (#peak 889 #SUP 0.99 #QF 0.99)
&rst
ixpk= 889, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 136, 137, 138,
igr2= 356, 357,
&end
#
# 32 VAL QQG 33 ASN QB 4.38 (#peak 890 #SUP 0.78 #QF 0.78)
&rst
ixpk= 890, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2= 356, 357,
&end
#
# 19 TYR HB2 45 LEU QD1 3.44 (#peak 891 #SUP 0.83 #QF 0.83)
&rst
ixpk= 891, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 533, 534, 535,
&end
#
# 19 TYR HB2 45 LEU QD2 4.03 (#peak 892 #SUP 0.87 #QF 0.87)
&rst
ixpk= 892, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 537, 538, 539,
&end
#
# 2 ILE QD1 19 TYR HB2 3.81 (#peak 893 #SUP 0.98 #QF 0.98)
&rst
ixpk= 893, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 24, 25, 26,
&end
#
# 6 CYX HB3 41 LEU QD2 4.27 (#peak 894 #SUP 0.87 #QF 0.87)
&rst
ixpk= 894, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 477, 478, 479,
&end
#
# 6 CYX HB3 41 LEU QD1 3.55 (#peak 895 #SUP 0.90 #QF 0.90)
&rst
ixpk= 895, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 473, 474, 475,
&end
#
# 46 TYR QB 47 LEU QD2 4.25 (#peak 897 #SUP 0.77 #QF 0.77)
&rst
ixpk= 897, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 547, 548,
igr2= 577, 578, 579,
&end
#
# 13 LEU QD2 31 PHE QB 4.30 (#peak 899 #SUP 0.83 #QF 0.83)
&rst
ixpk= 899, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 176, 177, 178,
igr2= 320, 321,
&end
#
# 13 LEU QD1 31 PHE QB 4.22 (#peak 900 #SUP 0.94 #QF 0.94)
&rst
ixpk= 900, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 172, 173, 174,
igr2= 320, 321,
&end
#
# 52 ARG HB2 52 ARG QD 3.60 (#peak 902 #SUP 0.92 #QF 0.92)
&rst
ixpk= 902, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 641, 642,
&end
#
# 52 ARG HB3 52 ARG QD 3.60 (#peak 903 #SUP 0.98 #QF 0.98)
&rst
ixpk= 903, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 641, 642,
&end
#
# 46 TYR QB 47 LEU HB3 5.50 (#peak 906 #SUP 0.88 #QF 0.88)
&rst
ixpk= 906, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 547, 548,
&end
#
# 46 TYR QB 47 LEU HG 4.37 (#peak 907 #SUP 0.91 #QF 0.91)
&rst
ixpk= 907, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 547, 548,
&end
#
# 44 ALA QB 46 TYR QB 5.41 (#peak 908 #SUP 0.88 #QF 0.88)
&rst
ixpk= 908, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1= 518, 519, 520,
igr2= 547, 548,
&end
#
# 45 LEU HB2 46 TYR QB 4.77 (#peak 909 #SUP 0.78 #QF 0.78)
&rst
ixpk= 909, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 547, 548,
&end
#
# 46 TYR QB 47 LEU HB2 4.98 (#peak 910 #SUP 0.65 #QF 0.65)
&rst
ixpk= 910, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 547, 548,
&end
#
# 3 VAL QG2 7 CYX HB3 4.52 (#peak 913 #SUP 0.68 #QF 0.68)
&rst
ixpk= 913, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 40, 41, 42,
&end
#
# 3 VAL QG1 7 CYX HB3 3.24 (#peak 914 #SUP 0.35 #QF 0.35)
&rst
ixpk= 914, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 36, 37, 38,
&end
#
# 6 CYX HB2 41 LEU QD2 4.27 (#peak 915 #SUP 0.66 #QF 0.49)
&rst
ixpk= 915, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 477, 478, 479,
&end
#
# 2 ILE HG12 19 TYR HB3 4.46 (#peak 915 #SUP 0.66 #QF 0.49)
&rst
ixpk= 915, nxpk= 0, iat= 21, 273, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 6 CYX HB2 41 LEU QD1 3.55 (#peak 916 #SUP 0.54 #QF 0.40)
&rst
ixpk= 916, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 473, 474, 475,
&end
#
# 36 LEU QD2 40 HIE HB3 3.12 (#peak 917 #SUP 0.92 #QF 0.92)
&rst
ixpk= 917, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 413, 414, 415,
&end
#
# 2 ILE QD1 19 TYR HB3 3.71 (#peak 918 #SUP 0.97 #QF 0.97)
&rst
ixpk= 918, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 24, 25, 26,
&end
#
# 42 VAL HA 42 VAL QG2 3.22 (#peak 919 #SUP 1.00)
&rst
ixpk= 919, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 493, 494, 495,
&end
#
# 42 VAL HA 42 VAL QG1 3.22 (#peak 920 #SUP 0.90 #QF 0.90)
&rst
ixpk= 920, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 489, 490, 491,
&end
#
# 42 VAL HA 45 LEU QD2 4.03 (#peak 922 #SUP 0.97 #QF 0.97)
&rst
ixpk= 922, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 537, 538, 539,
&end
#
# 2 ILE QG2 3 VAL HA 4.15 (#peak 923 #SUP 0.81 #QF 0.81)
&rst
ixpk= 923, nxpk= 0, iat= -1, 32, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 17, 18, 19,
&end
#
# 36 LEU QD2 40 HIE HB2 3.76 (#peak 924 #SUP 0.90 #QF 0.90)
&rst
ixpk= 924, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 413, 414, 415,
&end
#
# 7 CYX HB3 8 THR QG2 4.87 (#peak 925 #SUP 0.94 #QF 0.94)
&rst
ixpk= 925, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 104, 105, 106,
&end
#
# 57 THR QG2 58 PRO QD 4.01 (#peak 926 #SUP 0.44 #QF 0.44)
&rst
ixpk= 926, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 726, 727, 728,
igr2= 735, 736,
&end
#
# 7 CYX HB2 41 LEU HB2 5.05 (#peak 928 #SUP 0.30 #QF 0.30)
&rst
ixpk= 928, nxpk= 0, iat= 92, 468, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 13 LEU HA 16 LEU QD1 4.26 (#peak 929 #SUP 0.94 #QF 0.94)
&rst
ixpk= 929, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 229, 230, 231,
&end
#
# 7 CYX HB2 41 LEU QD2 3.92 (#peak 930 #SUP 0.62 #QF 0.62)
&rst
ixpk= 930, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 477, 478, 479,
&end
#
# 3 VAL QG1 7 CYX HB2 3.80 (#peak 931 #SUP 0.87 #QF 0.87)
&rst
ixpk= 931, nxpk= 0, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 36, 37, 38,
&end
#
# 2 ILE HA 2 ILE QD1 4.25 (#peak 932 #SUP 0.32 #QF 0.32)
&rst
ixpk= 932, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 24, 25, 26,
&end
#
# 13 LEU HA 13 LEU QD1 4.13 (#peak 934 #SUP 0.98 #QF 0.98)
&rst
ixpk= 934, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 172, 173, 174,
&end
#
# 45 LEU HA 45 LEU QD1 2.55 (#peak 935 #SUP 0.42 #QF 0.42)
&rst
ixpk= 935, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr2= 533, 534, 535,
&end
#
# 45 LEU HA 45 LEU QD2 3.07 (#peak 936 #SUP 0.68 #QF 0.68)
&rst
ixpk= 936, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 537, 538, 539,
&end
#
# 42 VAL HA 45 LEU HB2 3.77 (#peak 937 #SUP 0.91 #QF 0.91)
&rst
ixpk= 937, nxpk= 0, iat= 485, 528, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 42 VAL HA 45 LEU HG 4.36 (#peak 938 #SUP 0.92 #QF 0.92)
&rst
ixpk= 938, nxpk= 0, iat= 485, 531, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 41 LEU HG 42 VAL HA 4.95 (#peak 940 #SUP 0.99 #QF 0.99)
&rst
ixpk= 940, nxpk= 0, iat= 471, 485, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 13 LEU HA 16 LEU HB3 3.71 (#peak 945 #SUP 0.82 #QF 0.82)
&rst
ixpk= 945, nxpk= 0, iat= 165, 225, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 13 LEU HA 16 LEU HG 3.74 (#peak 946 #SUP 0.89 #QF 0.89)
&rst
ixpk= 946, nxpk= 0, iat= 165, 227, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 45 LEU HA 48 VAL HB 4.39 (#peak 950 #SUP 1.00)
&rst
ixpk= 950, nxpk= 0, iat= 526, 587, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 41 LEU HA 44 ALA QB 3.01 (#peak 951 #SUP 0.41 #QF 0.41)
&rst
ixpk= 951, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 518, 519, 520,
&end
#
# 45 LEU HA 45 LEU HG 3.82 (#peak 953 #SUP 0.98 #QF 0.98)
&rst
ixpk= 953, nxpk= 0, iat= 526, 531, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 17 GLU HA 48 VAL QG2 4.06 (#peak 956 #SUP 0.63 #QF 0.63)
&rst
ixpk= 956, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 593, 594, 595,
&end
#
# 45 LEU HA 48 VAL QG2 3.08 (#peak 957 #SUP 0.89 #QF 0.89)
&rst
ixpk= 957, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 593, 594, 595,
&end
#
# 48 VAL HA 48 VAL QG2 3.19 (#peak 958 #SUP 0.97 #QF 0.97)
&rst
ixpk= 958, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 593, 594, 595,
&end
#
# 16 LEU HA 16 LEU QD1 3.40 (#peak 959 #SUP 0.87 #QF 0.87)
&rst
ixpk= 959, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 229, 230, 231,
&end
#
# 2 ILE QD1 16 LEU HA 4.35 (#peak 962 #SUP 0.93 #QF 0.93)
&rst
ixpk= 962, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 24, 25, 26,
&end
#
# 48 VAL HA 48 VAL QG1 2.71 (#peak 964 #SUP 0.88 #QF 0.88)
&rst
ixpk= 964, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
igr2= 589, 590, 591,
&end
#
# 36 LEU QD1 41 LEU HA 3.23 (#peak 965 #SUP 0.49 #QF 0.49)
&rst
ixpk= 965, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 409, 410, 411,
&end
#
# 31 PHE HA 32 VAL QQG 3.80 (#peak 966 #SUP 0.81 #QF 0.81)
&rst
ixpk= 966, nxpk= 0, iat= 318, 339, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 GLU HA 8 THR QG2 3.76 (#peak 968 #SUP 0.95 #QF 0.95)
&rst
ixpk= 968, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 104, 105, 106,
&end
#
# 41 LEU HA 41 LEU HB2 2.64 (#peak 969 #SUP 0.27 #QF 0.27)
&rst
ixpk= 969, nxpk= 0, iat= 466, 468, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14, &end
#
# 48 VAL QG2 49 CYX HA 4.85 (#peak 970 #SUP 0.98 #QF 0.98)
&rst
ixpk= 970, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 593, 594, 595,
&end
#
# 20 CYX HA 45 LEU QD1 4.04 (#peak 972 #SUP 0.37 #QF 0.37)
&rst
ixpk= 972, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 533, 534, 535,
&end
#
# 36 LEU HA 36 LEU QD2 2.71 (#peak 974 #SUP 0.84 #QF 0.84)
&rst
ixpk= 974, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
igr2= 413, 414, 415,
&end
#
# 36 LEU HA 41 LEU QD1 4.06 (#peak 975 #SUP 0.43 #QF 0.43)
&rst
ixpk= 975, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 473, 474, 475,
&end
#
# 10 ILE QG2 33 ASN HA 3.90 (#peak 976 #SUP 0.99 #QF 0.99)
&rst
ixpk= 976, nxpk= 0, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 129, 130, 131,
&end
#
# 10 ILE QG2 12 SER HA 4.55 (#peak 977 #SUP 0.78 #QF 0.78)
&rst
ixpk= 977, nxpk= 0, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 129, 130, 131,
&end
#
# 10 ILE QG2 34 GLN HA 3.83 (#peak 978 #SUP 0.99 #QF 0.99)
&rst
ixpk= 978, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 129, 130, 131,
&end
#
# 10 ILE QD1 33 ASN HA 5.02 (#peak 979 #SUP 0.95 #QF 0.95)
&rst
ixpk= 979, nxpk= 0, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 136, 137, 138,
&end
#
# 10 ILE QD1 34 GLN HA 3.53 (#peak 980 #SUP 0.98 #QF 0.98)
&rst
ixpk= 980, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 136, 137, 138,
&end
#
# 40 HIE HA 44 ALA QB 5.00 (#peak 981 #SUP 0.77 #QF 0.77)
&rst
ixpk= 981, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 518, 519, 520,
&end
#
# 36 LEU QB 40 HIE HB3 4.42 (#peak 982 #SUP 0.65 #QF 0.47)
&rst
ixpk= 982, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 404, 405,
&end
#
# 40 HIE HB3 41 LEU HB3 5.50 (#peak 983 #SUP 0.30 #QF 0.30)
&rst
ixpk= 983, nxpk= 0, iat= 452, 469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLN HA 18 ASN HB2 4.03 (#peak 984 #SUP 0.92 #QF 0.92)
&rst
ixpk= 984, nxpk= 0, iat= 205, 258, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 15 GLN HA 18 ASN HB3 4.85 (#peak 985 #SUP 0.88 #QF 0.88)
&rst
ixpk= 985, nxpk= 0, iat= 205, 259, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 37 CYX HA 41 LEU QD2 4.05 (#peak 987 #SUP 0.98 #QF 0.98)
&rst
ixpk= 987, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 477, 478, 479,
&end
#
# 32 VAL QQG 33 ASN HA 4.43 (#peak 988 #SUP 0.61 #QF 0.61)
&rst
ixpk= 988, nxpk= 0, iat= 339, 354, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, &end
#
# 6 CYX HA 41 LEU QD2 5.50 (#peak 990 #SUP 0.88 #QF 0.88)
&rst
ixpk= 990, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 477, 478, 479,
&end
#
# 6 CYX HA 41 LEU QD1 4.61 (#peak 991 #SUP 0.96 #QF 0.96)
&rst
ixpk= 991, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 473, 474, 475,
&end
#
# 10 ILE QG2 11 CYX HA 4.70 (#peak 992 #SUP 0.86 #QF 0.86)
&rst
ixpk= 992, nxpk= 0, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 129, 130, 131,
&end
#
# 7 CYX HA 41 LEU QD2 4.88 (#peak 993 #SUP 0.63 #QF 0.63)
&rst
ixpk= 993, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 477, 478, 479,
&end
#
# 8 THR QG2 9 SER HA 4.37 (#peak 995 #SUP 0.84 #QF 0.84)
&rst
ixpk= 995, nxpk= 0, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 104, 105, 106,
&end
#
# 9 SER HA 10 ILE HB 5.20 (#peak 996 #SUP 0.90 #QF 0.90)
&rst
ixpk= 996, nxpk= 0, iat= 114, 127, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 57 THR HA 57 THR QG2 3.37 (#peak 997 #SUP 0.98 #QF 0.98)
&rst
ixpk= 997, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 726, 727, 728,
&end
#
# 36 LEU HA 36 LEU QD1 4.13 (#peak 1000 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1000, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 409, 410, 411,
&end
#
# 47 LEU HA 47 LEU QD2 2.74 (#peak 1001 #SUP 0.57 #QF 0.57)
&rst
ixpk= 1001, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 577, 578, 579,
&end
#
# 32 VAL HA 32 VAL QQG 2.86 (#peak 1002 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1002, nxpk= 0, iat= 338, 339, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 41 LEU HA 41 LEU QD2 3.88 (#peak 1003 #SUP 0.55 #QF 0.55)
&rst
ixpk= 1003, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 477, 478, 479,
&end
#
# 39 SER QB 40 HIE HA 4.44 (#peak 1004 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1004, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 440, 441,
&end
#
# 39 SER HA 40 HIE HA 4.85 (#peak 1005 #SUP 0.52 #QF 0.52)
&rst
ixpk= 1005, nxpk= 0, iat= 438, 449, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 4 GLU HA 8 THR HB 3.50 (#peak 1006 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1006, nxpk= 0, iat= 48, 102, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 LEU HA 19 TYR HB3 5.50 (#peak 1007 #SUP 0.54 #QF 0.21)
&rst
ixpk= 1007, nxpk= 0, iat= 222, 273, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 VAL HA 43 GLU HA 5.00 (#peak 1008 #SUP 0.43 #QF 0.43)
&rst
ixpk= 1008, nxpk= 0, iat= 485, 501, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 CYX HB3 8 THR HA 4.56 (#peak 1009 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1009, nxpk= 0, iat= 93, 100, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 51 GLU HA 51 GLU HG2 3.76 (#peak 1012 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1012, nxpk= 0, iat= 618, 623, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 51 GLU HA 51 GLU HG3 3.76 (#peak 1013 #SUP 0.68 #QF 0.68)
&rst
ixpk= 1013, nxpk= 0, iat= 618, 624, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 32 VAL HA 33 ASN QB 4.84 (#peak 1016 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1016, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 356, 357,
&end
#
# 43 GLU HA 43 GLU QG 3.09 (#peak 1017 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1017, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 506, 507,
&end
#
# 40 HIE HA 43 GLU QG 4.50 (#peak 1027 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1027, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 506, 507,
&end
#
# 43 GLU QG 46 TYR QB 4.44 (#peak 1028 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1028, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 506, 507,
igr2= 547, 548,
&end
#
# 56 TYR HA 56 TYR QB 2.68 (#peak 1034 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1034, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2= 703, 704,
&end
#
# 31 PHE HA 31 PHE QB 2.91 (#peak 1036 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1036, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2= 320, 321,
&end
#
# 47 LEU HA 47 LEU HG 3.45 (#peak 1041 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1041, nxpk= 0, iat= 566, 571, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 16 LEU HA 16 LEU HG 3.75 (#peak 1042 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1042, nxpk= 0, iat= 222, 227, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 41 LEU HB3 44 ALA QB 5.34 (#peak 1045 #SUP 0.48 #QF 0.48)
&rst
ixpk= 1045, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 518, 519, 520,
&end
#
# 4 GLU QB 8 THR QG2 4.23 (#peak 1046 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1046, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 50, 51,
igr2= 104, 105, 106,
&end
#
# 17 GLU HG3 48 VAL QG1 3.53 (#peak 1047 #SUP 0.57 #QF 0.57)
&rst
ixpk= 1047, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 589, 590, 591,
&end
#
# 11 CYX HB2 12 SER H 4.58 (#peak 1052 #SUP 1.00)
&rst
ixpk= 1052, nxpk= 0, iat= 146, 152, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 11 CYX HB3 12 SER H 4.58 (#peak 1053 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1053, nxpk= 0, iat= 147, 152, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 15 GLN H 16 LEU QD1 5.50 (#peak 1054 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1054, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 229, 230, 231,
&end
#
# 36 LEU QD2 40 HIE HD2 4.53 (#peak 1055 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1055, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 413, 414, 415,
&end
#
# 32 VAL QQG 33 ASN H 3.20 (#peak 1056 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1056, nxpk= 0, iat= 339, 352, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 50 GLY H 51 GLU HA 5.50 (#peak 1057 #SUP 1.00)
&rst
ixpk= 1057, nxpk= 0, iat= 609, 618, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ALA H 46 TYR H 4.26 (#peak 1058 #SUP 0.30 #QF 0.30)
&rst
ixpk= 1058, nxpk= 0, iat= 514, 543, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 31 PHE HZ 36 LEU QD1 3.97 (#peak 1059 #SUP 0.53 #QF 0.53)
&rst
ixpk= 1059, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 409, 410, 411,
&end
#
# 17 GLU HA 18 ASN HA 5.03 (#peak 1061 #SUP 0.61 #QF 0.61)
&rst
ixpk= 1061, nxpk= 0, iat= 241, 256, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 40 HIE HA 40 HIE HE1 4.74 (#peak 1063 #SUP 0.39 #QF 0.39)
&rst
ixpk= 1063, nxpk= 0, iat= 449, 456, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 56 TYR QD 58 PRO HB2 5.27 (#peak 1065 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1065, nxpk= 0, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 707, 716,
&end
#
# 46 TYR QE 47 LEU HG 5.50 (#peak 1066 #SUP 0.34 #QF 0.34)
&rst
ixpk= 1066, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 553, 558,
&end
#
# 16 LEU HB2 19 TYR QE 5.44 (#peak 1067 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1067, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 278, 283,
&end
#
# 4 GLU QB 8 THR HB 4.83 (#peak 1069 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1069, nxpk= 0, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 50, 51,
&end
#
# 13 LEU QB 31 PHE QB 5.10 (#peak 1072 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1072, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 167, 168,
igr2= 320, 321,
&end
#
# 40 HIE HB3 44 ALA QB 5.04 (#peak 1073 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1073, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 518, 519, 520,
&end
#
# 34 GLN HG2 36 LEU HG 4.87 (#peak 1074 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1074, nxpk= 0, iat= 373, 407, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 34 GLN HG3 36 LEU HG 4.64 (#peak 1075 #SUP 0.67 #QF 0.67)
&rst
ixpk= 1075, nxpk= 0, iat= 374, 407, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 33 ASN QB 34 GLN HB3 5.07 (#peak 1078 #SUP 0.61 #QF 0.61)
&rst
ixpk= 1078, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 356, 357,
&end
#
# 43 GLU QG 44 ALA QB 5.50 (#peak 1079 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1079, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 506, 507,
igr2= 518, 519, 520,
&end
#
# 56 TYR QB 57 THR QG2 5.50 (#peak 1080 #SUP 0.94 #QF 0.40)
&rst
ixpk= 1080, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 703, 704,
igr2= 726, 727, 728,
&end
#
# 10 ILE QG2 34 GLN HG2 5.50 (#peak 1081 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1081, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 129, 130, 131,
&end
#
# 10 ILE QD1 34 GLN HG2 5.10 (#peak 1082 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1082, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 136, 137, 138,
&end
#
# 44 ALA QB 47 LEU QD1 4.37 (#peak 1085 #SUP 0.63 #QF 0.63)
&rst
ixpk= 1085, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 518, 519, 520,
igr2= 573, 574, 575,
&end
#
# 47 LEU HG 48 VAL QG2 5.11 (#peak 1087 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1087, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 593, 594, 595,
&end
#
# 3 VAL HA 3 VAL QG2 2.98 (#peak 1091 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1091, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 40, 41, 42,
&end
#
# 9 SER HA 10 ILE QD1 4.94 (#peak 1093 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1093, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 136, 137, 138,
&end
#
# 12 SER HA 13 LEU QD2 4.96 (#peak 1095 #SUP 0.59 #QF 0.59)
&rst
ixpk= 1095, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 176, 177, 178,
&end
#
# 7 CYX HA 8 THR QG2 5.10 (#peak 1100 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1100, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 104, 105, 106,
&end
#
# 56 TYR HA 57 THR QG2 4.70 (#peak 1101 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1101, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 726, 727, 728,
&end
#
# 12 SER HA 33 ASN QB 5.09 (#peak 1103 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1103, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 356, 357,
&end
#
# 8 THR QG2 35 HIE HE1 5.50 (#peak 1108 #SUP 0.68 #QF 0.68)
&rst
ixpk= 1108, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 104, 105, 106,
&end
#
# 15 GLN HA 18 ASN HA 5.50 (#peak 1114 #SUP 0.23 #QF 0.23)
&rst
ixpk= 1114, nxpk= 0, iat= 205, 256, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 VAL HA 49 CYX HA 4.89 (#peak 1115 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1115, nxpk= 0, iat= 585, 601, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 40 HIE HB2 41 LEU HB2 4.90 (#peak 1118 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1118, nxpk= 0, iat= 451, 468, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 3 VAL HA 4 GLU QB 5.50 (#peak 1119 #SUP 0.43 #QF 0.43)
&rst
ixpk= 1119, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 50, 51,
&end
#
# 13 LEU QB 48 VAL QG2 4.92 (#peak 1122 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1122, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 167, 168,
igr2= 593, 594, 595,
&end
#
# 18 ASN H 19 TYR QE 5.12 (#peak 1125 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1125, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 278, 283,
&end
#
# 18 ASN H 18 ASN HD21 4.40 (#peak 1130 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1130, nxpk= 0, iat= 254, 263, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 43 GLU HA 46 TYR H 3.68 (#peak 1136 #SUP 0.72 #QF 0.72)
&rst
ixpk= 1136, nxpk= 0, iat= 501, 543, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 16 LEU HA 19 TYR QD 2.77 (#peak 1138 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1138, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2= 276, 285,
&end
#
# 34 GLN HB2 34 GLN HE21 4.78 (#peak 1143 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1143, nxpk= 0, iat= 370, 378, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 56 TYR QD 58 PRO QD 4.50 (#peak 1145 #SUP 0.53 #QF 0.53)
&rst
ixpk= 1145, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 707, 716,
igr2= 735, 736,
&end
#
# 1 GLY QA 19 TYR QD 4.71 (#peak 1146 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1146, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 6, 7,
igr2= 276, 285,
&end
#
# 3 VAL QG2 41 LEU HB2 4.56 (#peak 1159 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1159, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 40, 41, 42,
&end
#
# 3 VAL QG2 41 LEU HG 4.59 (#peak 1160 #SUP 0.40 #QF 0.40)
&rst
ixpk= 1160, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 40, 41, 42,
&end
#
# 13 LEU QB 13 LEU QD2 2.99 (#peak 1161 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1161, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 167, 168,
igr2= 176, 177, 178,
&end
#
# 43 GLU HB3 47 LEU QD1 4.18 (#peak 1164 #SUP 0.38 #QF 0.38)
&rst
ixpk= 1164, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 573, 574, 575,
&end
#
# 37 CYX HA 41 LEU QD1 4.94 (#peak 1166 #SUP 0.56 #QF 0.56)
&rst
ixpk= 1166, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 473, 474, 475,
&end
#
# 41 LEU HB3 42 VAL HA 4.84 (#peak 1169 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1169, nxpk= 0, iat= 469, 485, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 43 GLU HB2 46 TYR QB 5.50 (#peak 1170 #SUP 0.61 #QF 0.61)
&rst
ixpk= 1170, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 547, 548,
&end
#
# 4 GLU HA 8 THR H 4.21 (#peak 1171 #SUP 0.30 #QF 0.30)
&rst
ixpk= 1171, nxpk= 0, iat= 48, 98, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 13 LEU QB 31 PHE QD 4.43 (#peak 1173 #SUP 1.00)
&rst
ixpk= 1173, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 167, 168,
igr2= 324, 332,
&end
#
# 37 CYX H 41 LEU HB3 5.38 (#peak 1174 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1174, nxpk= 0, iat= 419, 469, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 2 ILE H 5 GLN QB 5.34 (#peak 1144)
&rst
ixpk= 1144, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 65, 66,
&end
#
# 2 ILE HA 5 GLN QB 4.42 (#peak 1175)
&rst
ixpk= 1175, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 65, 66,
&end
#
# 2 ILE QG2 5 GLN QB 5.34 (#peak 1090)
&rst
ixpk= 1090, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 17, 18, 19,
igr2= 65, 66,
&end
#
# 5 GLN H 5 GLN QG 5.04 (#peak 541)
&rst
ixpk= 541, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 68, 69,
&end
#
# 5 GLN HA 5 GLN QE2 4.41 (#peak 315)
&rst
ixpk= 315, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 73, 74,
&end
#
# 5 GLN QB 19 TYR QE 3.97 (#peak 782)
&rst
ixpk= 782, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 65, 66,
igr2= 278, 283,
&end
#
# 5 GLN QG 6 CYX H 5.34 (#peak 541)
&rst
ixpk= 541, nxpk= 0, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 68, 69,
&end
#
# 5 GLN QG 19 TYR QE 4.31 (#peak 785)
&rst
ixpk= 785, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 68, 69,
igr2= 278, 283,
&end
#
# 6 CYX H 6 CYX QB 3.34 (#peak 110)
&rst
ixpk= 110, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 82, 83,
&end
#
# 6 CYX QB 7 CYX H 3.75 (#peak 110)
&rst
ixpk= 110, nxpk= 0, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 82, 83,
&end
#
# 6 CYX QB 36 LEU H 5.09 (#peak 59)
&rst
ixpk= 59, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 82, 83,
&end
#
# 6 CYX QB 36 LEU QB 4.99 (#peak 523)
&rst
ixpk= 523, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 82, 83,
igr2= 404, 405,
&end
#
# 6 CYX QB 41 LEU QD1 3.01 (#peak 916)
&rst
ixpk= 916, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 82, 83,
igr2= 473, 474, 475,
&end
#
# 7 CYX HA 37 CYX QB 4.99 (#peak 1112)
&rst
ixpk= 1112, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 423, 424,
&end
#
# 8 THR HB 9 SER QB 5.34 (#peak 535)
&rst
ixpk= 535, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 116, 117,
&end
#
# 8 THR QG2 9 SER QB 4.39 (#peak 927)
&rst
ixpk= 927, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 104, 105, 106,
igr2= 116, 117,
&end
#
# 9 SER HA 10 ILE QG1 4.59 (#peak 994)
&rst
ixpk= 994, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 133, 134,
&end
#
# 9 SER QB 10 ILE H 3.14 (#peak 121)
&rst
ixpk= 121, nxpk= 0, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 116, 117,
&end
#
# 9 SER QB 10 ILE QD1 5.22 (#peak 1092)
&rst
ixpk= 1092, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 116, 117,
igr2= 136, 137, 138,
&end
#
# 9 SER QB 35 HIE HE1 3.96 (#peak 170)
&rst
ixpk= 170, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 116, 117,
&end
#
# 10 ILE H 10 ILE QG1 3.62 (#peak 166)
&rst
ixpk= 166, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 133, 134,
&end
#
# 10 ILE QG2 10 ILE QG1 3.12 (#peak 819)
&rst
ixpk= 819, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 129, 130, 131,
igr2= 133, 134,
&end
#
# 10 ILE QG1 35 HIE H 5.34 (#peak 287)
&rst
ixpk= 287, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 133, 134,
&end
#
# 10 ILE QG1 35 HIE HD2 4.30 (#peak 546)
&rst
ixpk= 546, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 133, 134,
&end
#
# 10 ILE QG1 35 HIE HE1 3.62 (#peak 169)
&rst
ixpk= 169, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 133, 134,
&end
#
# 11 CYX QB 12 SER H 3.96 (#peak 1053)
&rst
ixpk= 1053, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 146, 147,
&end
#
# 11 CYX QB 16 LEU H 5.34 (#peak 552)
&rst
ixpk= 552, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 146, 147,
&end
#
# 11 CYX QB 16 LEU HA 5.34 (#peak 1007)
&rst
ixpk= 1007, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 146, 147,
&end
#
# 12 SER H 15 GLN QG 3.21 (#peak 385)
&rst
ixpk= 385, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 210, 211,
&end
#
# 12 SER H 15 GLN QE2 4.29 (#peak 381)
&rst
ixpk= 381, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 215, 216,
&end
#
# 12 SER HA 15 GLN QG 4.73 (#peak 1102)
&rst
ixpk= 1102, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 210, 211,
&end
#
# 12 SER QB 13 LEU H 2.96 (#peak 44)
&rst
ixpk= 44, nxpk= 0, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1= 156, 157,
&end
#
# 12 SER QB 13 LEU QB 5.14 (#peak 391)
&rst
ixpk= 391, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 156, 157,
igr2= 167, 168,
&end
#
# 12 SER QB 14 TYR H 3.36 (#peak 388)
&rst
ixpk= 388, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 156, 157,
&end
#
# 12 SER QB 14 TYR HB2 5.12 (#peak 390)
&rst
ixpk= 390, nxpk= 0, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 156, 157,
&end
#
# 12 SER QB 14 TYR HB3 4.90 (#peak 389)
&rst
ixpk= 389, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 156, 157,
&end
#
# 12 SER QB 14 TYR QD 4.15 (#peak 800)
&rst
ixpk= 800, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 156, 157,
igr2= 190, 199,
&end
#
# 12 SER QB 14 TYR QE 4.86 (#peak 799)
&rst
ixpk= 799, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 156, 157,
igr2= 192, 197,
&end
#
# 12 SER QB 15 GLN H 4.30 (#peak 286)
&rst
ixpk= 286, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 156, 157,
&end
#
# 12 SER QB 33 ASN HD22 5.09 (#peak 393)
&rst
ixpk= 393, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 156, 157,
&end
#
# 13 LEU HG 17 GLU QG 5.14 (#peak 584)
&rst
ixpk= 584, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 246, 247,
&end
#
# 13 LEU QD1 17 GLU QG 4.55 (#peak 887)
&rst
ixpk= 887, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 172, 173, 174,
igr2= 246, 247,
&end
#
# 14 TYR H 17 GLU QG 5.34 (#peak 489)
&rst
ixpk= 489, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 246, 247,
&end
#
# 14 TYR HB2 15 GLN QG 5.34 (#peak 1104)
&rst
ixpk= 1104, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 210, 211,
&end
#
# 14 TYR HB3 15 GLN QG 5.34 (#peak 1105)
&rst
ixpk= 1105, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 210, 211,
&end
#
# 14 TYR QD 15 GLN QG 3.95 (#peak 790)
&rst
ixpk= 790, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 190, 199,
igr2= 210, 211,
&end
#
# 14 TYR QE 15 GLN QG 4.77 (#peak 786)
&rst
ixpk= 786, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 192, 197,
igr2= 210, 211,
&end
#
# 15 GLN H 15 GLN QG 2.86 (#peak 226)
&rst
ixpk= 226, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 210, 211,
&end
#
# 15 GLN HA 15 GLN QG 3.50 (#peak 986)
&rst
ixpk= 986, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 210, 211,
&end
#
# 15 GLN HA 15 GLN QE2 5.34 (#peak 797)
&rst
ixpk= 797, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 215, 216,
&end
#
# 15 GLN QB 15 GLN QE2 3.79 (#peak 299)
&rst
ixpk= 299, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 207, 208,
igr2= 215, 216,
&end
#
# 15 GLN QG 16 LEU H 3.35 (#peak 656)
&rst
ixpk= 656, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 210, 211,
&end
#
# 15 GLN QG 16 LEU HA 4.94 (#peak 1113)
&rst
ixpk= 1113, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 210, 211,
&end
#
# 15 GLN QG 16 LEU HG 5.34 (#peak 1076)
&rst
ixpk= 1076, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 210, 211,
&end
#
# 16 LEU H 17 GLU QG 5.34 (#peak 655)
&rst
ixpk= 655, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 246, 247,
&end
#
# 16 LEU HG 17 GLU QG 4.76 (#peak 1077)
&rst
ixpk= 1077, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 246, 247,
&end
#
# 17 GLU H 17 GLU QB 3.10 (#peak 572)
&rst
ixpk= 572, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 243, 244,
&end
#
# 17 GLU H 17 GLU QG 3.32 (#peak 247)
&rst
ixpk= 247, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 246, 247,
&end
#
# 17 GLU HA 17 GLU QG 3.54 (#peak 1018)
&rst
ixpk= 1018, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 246, 247,
&end
#
# 17 GLU QB 18 ASN H 3.66 (#peak 225)
&rst
ixpk= 225, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 243, 244,
&end
#
# 17 GLU QB 48 VAL QG1 4.19 (#peak 1089)
&rst
ixpk= 1089, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 243, 244,
igr2= 589, 590, 591,
&end
#
# 17 GLU QB 48 VAL QG2 5.17 (#peak 1088)
&rst
ixpk= 1088, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 243, 244,
igr2= 593, 594, 595,
&end
#
# 17 GLU QG 18 ASN H 5.32 (#peak 245)
&rst
ixpk= 245, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 246, 247,
&end
#
# 18 ASN HA 20 CYX QB 5.27 (#peak 365)
&rst
ixpk= 365, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 293, 294,
&end
#
# 20 CYX H 20 CYX QB 2.65 (#peak 302)
&rst
ixpk= 302, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 293, 294,
&end
#
# 20 CYX QB 21 ASN H 3.37 (#peak 301)
&rst
ixpk= 301, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 293, 294,
&end
#
# 21 ASN H 21 ASN QB 3.12 (#peak 107)
&rst
ixpk= 107, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 303, 304,
&end
#
# 37 CYX H 37 CYX QB 3.33 (#peak 83)
&rst
ixpk= 83, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 423, 424,
&end
#
# 37 CYX QB 38 GLY H 3.55 (#peak 9)
&rst
ixpk= 9, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 423, 424,
&end
#
# 37 CYX QB 38 GLY HA3 4.39 (#peak 1152)
&rst
ixpk= 1152, nxpk= 0, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 423, 424,
&end
#
# 37 CYX QB 41 LEU QD2 5.02 (#peak 1156)
&rst
ixpk= 1156, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 423, 424,
igr2= 477, 478, 479,
&end
#
# 39 SER H 42 VAL QQG 4.74 (#peak 20)
&rst
ixpk= 20, nxpk= 0, iat= 436, 486, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, &end
#
# 39 SER HA 42 VAL QQG 2.95 (#peak 963)
&rst
ixpk= 963, nxpk= 0, iat= 438, 486, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 40 HIE H 42 VAL QQG 4.98 (#peak 719)
&rst
ixpk= 719, nxpk= 0, iat= 447, 486, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68, &end
#
# 41 LEU H 42 VAL QQG 4.27 (#peak 759)
&rst
ixpk= 759, nxpk= 0, iat= 464, 486, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, &end
#
# 41 LEU HB2 42 VAL QQG 4.75 (#peak 1084)
&rst
ixpk= 1084, nxpk= 0, iat= 468, 486, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, &end
#
# 42 VAL H 42 VAL QQG 2.78 (#peak 197)
&rst
ixpk= 197, nxpk= 0, iat= 483, 486, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 42 VAL HA 42 VAL QQG 2.65 (#peak 920)
&rst
ixpk= 920, nxpk= 0, iat= 485, 486, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 42 VAL QQG 43 GLU H 3.30 (#peak 196)
&rst
ixpk= 196, nxpk= 0, iat= 486, 499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 VAL QQG 43 GLU QG 4.36 (#peak 1049)
&rst
ixpk= 1049, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 506, 507,
&end
#
# 42 VAL QQG 45 LEU H 5.44 (#peak 718)
&rst
ixpk= 718, nxpk= 0, iat= 486, 524, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 42 VAL QQG 46 TYR QB 3.95 (#peak 898)
&rst
ixpk= 898, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 547, 548,
&end
#
# 45 LEU QD1 49 CYX QB 4.58 (#peak 1157)
&rst
ixpk= 1157, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 533, 534, 535,
igr2= 603, 604,
&end
#
# 45 LEU QD2 49 CYX QB 5.33 (#peak 1121)
&rst
ixpk= 1121, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 537, 538, 539,
igr2= 603, 604,
&end
#
# 46 TYR QD 50 GLY QA 4.73 (#peak 594)
&rst
ixpk= 594, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 551, 560,
igr2= 611, 612,
&end
#
# 46 TYR QD 51 GLU QB 4.93 (#peak 677)
&rst
ixpk= 677, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 551, 560,
igr2= 620, 621,
&end
#
# 48 VAL H 49 CYX QB 4.52 (#peak 682)
&rst
ixpk= 682, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 603, 604,
&end
#
# 48 VAL H 51 GLU QB 5.34 (#peak 1144)
&rst
ixpk= 1144, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 620, 621,
&end
#
# 48 VAL HB 49 CYX QB 4.72 (#peak 1106)
&rst
ixpk= 1106, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 603, 604,
&end
#
# 49 CYX H 49 CYX QB 2.78 (#peak 85)
&rst
ixpk= 85, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 603, 604,
&end
#
# 49 CYX H 52 ARG QG 5.34 (#peak 662)
&rst
ixpk= 662, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 638, 639,
&end
#
# 49 CYX HA 52 ARG QB 4.47 (#peak 397)
&rst
ixpk= 397, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 635, 636,
&end
#
# 49 CYX HA 52 ARG QG 4.62 (#peak 399)
&rst
ixpk= 399, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 638, 639,
&end
#
# 49 CYX QB 50 GLY H 3.70 (#peak 71)
&rst
ixpk= 71, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 603, 604,
&end
#
# 50 GLY H 50 GLY QA 2.56 (#peak 47)
&rst
ixpk= 47, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,
igr2= 611, 612,
&end
#
# 50 GLY H 51 GLU QB 4.91 (#peak 499)
&rst
ixpk= 499, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 620, 621,
&end
#
# 50 GLY QA 51 GLU H 2.91 (#peak 49)
&rst
ixpk= 49, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr1= 611, 612,
&end
#
# 50 GLY QA 51 GLU HA 4.38 (#peak 564)
&rst
ixpk= 564, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 611, 612,
&end
#
# 51 GLU H 51 GLU QB 2.87 (#peak 220)
&rst
ixpk= 220, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 620, 621,
&end
#
# 51 GLU H 51 GLU QG 3.95 (#peak 223)
&rst
ixpk= 223, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 623, 624,
&end
#
# 51 GLU HA 51 GLU QG 3.28 (#peak 1013)
&rst
ixpk= 1013, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 623, 624,
&end
#
# 52 ARG H 52 ARG QB 2.93 (#peak 232)
&rst
ixpk= 232, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 635, 636,
&end
#
# 52 ARG H 52 ARG QG 3.42 (#peak 283)
&rst
ixpk= 283, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 638, 639,
&end
#
# 52 ARG HA 52 ARG QG 3.51 (#peak 562)
&rst
ixpk= 562, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 638, 639,
&end
#
# 52 ARG QB 52 ARG HE 4.46 (#peak 256)
&rst
ixpk= 256, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 635, 636,
&end
#
# 52 ARG QB 53 GLY H 4.16 (#peak 477)
&rst
ixpk= 477, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 635, 636,
&end
#
# 52 ARG QG 52 ARG HE 3.40 (#peak 589)
&rst
ixpk= 589, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 638, 639,
&end
#
# 53 GLY QA 54 HIE QB 4.79 (#peak 550)
&rst
ixpk= 550, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 657, 658,
igr2= 666, 667,
&end
#
# 55 PHE HA 55 PHE QB 2.65 (#peak 1109)
&rst
ixpk= 1109, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 683, 684,
&end
#
# 55 PHE QB 57 THR QG2 5.33 (#peak 1080)
&rst
ixpk= 1080, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 683, 684,
igr2= 726, 727, 728,
&end
#
# 56 TYR QE 58 PRO QB 4.73 (#peak 787)
&rst
ixpk= 787, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 709, 714,
igr2= 741, 742,
&end
#
# 58 PRO QB 59 LYS H 3.90 (#peak 565)
&rst
ixpk= 565, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 741, 742,
&end
#
# 59 LYS H 59 LYS QB 3.24 (#peak 218)
&rst
ixpk= 218, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 752, 753,
&end
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