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 |
|
|
559144 |
2m2o   |
18924 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 38 GLY HA3 39 SER H 3.07 (#peak 7 #SUP 0.94 #QF 0.94)
&rst
ixpk= 7, nxpk= 0, iat= 429, 433, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 39 SER H 39 SER QB 3.21 (#peak 8 #SUP 0.98 #QF 0.98)
&rst
ixpk= 8, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 437, 438,
&end
#
# 38 GLY HA2 39 SER H 3.35 (#peak 9 #SUP 0.93 #QF 0.93)
&rst
ixpk= 9, nxpk= 0, iat= 428, 433, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 35 HIS HA 36 LEU H 3.30 (#peak 12 #SUP 0.87 #QF 0.87)
&rst
ixpk= 12, nxpk= 0, iat= 382, 397, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 35 HIS HB3 36 LEU H 4.16 (#peak 13 #SUP 0.99 #QF 0.99)
&rst
ixpk= 13, nxpk= 0, iat= 385, 397, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 12 SER H 12 SER HB2 4.00 (#peak 15 #SUP 0.99 #QF 0.99)
&rst
ixpk= 15, nxpk= 0, iat= 152, 156, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 12 SER H 12 SER HB3 4.00 (#peak 16 #SUP 0.91 #QF 0.91)
&rst
ixpk= 16, nxpk= 0, iat= 152, 157, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 34 GLN HA 35 HIS H 2.73 (#peak 25 #SUP 0.90 #QF 0.90)
&rst
ixpk= 25, nxpk= 0, iat= 365, 380, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end
#
# 33 ASN HA 34 GLN H 2.63 (#peak 26 #SUP 0.72 #QF 0.72)
&rst
ixpk= 26, nxpk= 0, iat= 351, 363, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, &end
#
# 32 VAL HA 33 ASN H 2.49 (#peak 27 #SUP 0.64 #QF 0.64)
&rst
ixpk= 27, nxpk= 0, iat= 335, 349, r1= 1.30, r2= 1.80, r3= 2.49, r4= 2.99, &end
#
# 31 PHE HA 32 VAL H 2.72 (#peak 29 #SUP 0.67 #QF 0.67)
&rst
ixpk= 29, nxpk= 0, iat= 315, 333, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 36 LEU HA 37 CYX H 2.71 (#peak 33 #SUP 0.84 #QF 0.84)
&rst
ixpk= 33, nxpk= 0, iat= 399, 416, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 60 THR H 60 THR HB 4.11 (#peak 39 #SUP 1.00 #QF 0.99)
&rst
ixpk= 39, nxpk= 0, iat= 767, 771, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 12 SER HA 13 LEU H 2.70 (#peak 47 #SUP 0.89 #QF 0.89)
&rst
ixpk= 47, nxpk= 0, iat= 154, 163, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 49 CYX H 49 CYX HB2 3.34 (#peak 49 #SUP 0.92 #QF 0.92)
&rst
ixpk= 49, nxpk= 0, iat= 596, 600, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 49 CYX H 49 CYX HB3 3.34 (#peak 50 #SUP 0.94 #QF 0.94)
&rst
ixpk= 50, nxpk= 0, iat= 596, 601, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 49 CYX HB3 50 GLY H 3.90 (#peak 51 #SUP 0.95 #QF 0.95)
&rst
ixpk= 51, nxpk= 0, iat= 601, 606, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 49 CYX HB2 50 GLY H 3.90 (#peak 52 #SUP 0.98 #QF 0.98)
&rst
ixpk= 52, nxpk= 0, iat= 600, 606, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 50 GLY H 50 GLY QA 2.57 (#peak 54 #SUP 0.99 #QF 0.99)
&rst
ixpk= 54, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2= 608, 609,
&end
#
# 12 SER HB2 13 LEU H 3.82 (#peak 55 #SUP 0.97 #QF 0.97)
&rst
ixpk= 55, nxpk= 0, iat= 156, 163, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 12 SER HB3 13 LEU H 3.82 (#peak 56 #SUP 0.99 #QF 0.99)
&rst
ixpk= 56, nxpk= 0, iat= 157, 163, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 35 HIS H 35 HIS HB3 3.61 (#peak 57 #SUP 0.96 #QF 0.96)
&rst
ixpk= 57, nxpk= 0, iat= 380, 385, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 35 HIS H 35 HIS HB2 3.12 (#peak 58 #SUP 0.84 #QF 0.84)
&rst
ixpk= 58, nxpk= 0, iat= 380, 384, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 35 HIS HB2 36 LEU H 4.58 (#peak 59 #SUP 0.98 #QF 0.98)
&rst
ixpk= 59, nxpk= 0, iat= 384, 397, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 37 CYX H 37 CYX HB2 3.66 (#peak 60 #SUP 0.81 #QF 0.81)
&rst
ixpk= 60, nxpk= 0, iat= 416, 420, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 37 CYX H 37 CYX HB3 3.66 (#peak 61 #SUP 0.90 #QF 0.90)
&rst
ixpk= 61, nxpk= 0, iat= 416, 421, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 37 CYX HB2 38 GLY H 4.25 (#peak 62 #SUP 0.92 #QF 0.92)
&rst
ixpk= 62, nxpk= 0, iat= 420, 426, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 37 CYX HB3 38 GLY H 4.25 (#peak 63 #SUP 0.95 #QF 0.95)
&rst
ixpk= 63, nxpk= 0, iat= 421, 426, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 33 ASN H 33 ASN QB 2.87 (#peak 64 #SUP 0.83 #QF 0.83)
&rst
ixpk= 64, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 353, 354,
&end
#
# 33 ASN QB 34 GLN H 3.60 (#peak 65 #SUP 0.94 #QF 0.94)
&rst
ixpk= 65, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 353, 354,
&end
#
# 9 SER HA 10 ILE H 3.29 (#peak 69 #SUP 0.89 #QF 0.89)
&rst
ixpk= 69, nxpk= 0, iat= 114, 123, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 44 ALA H 44 ALA QB 2.72 (#peak 72 #SUP 0.95 #QF 0.95)
&rst
ixpk= 72, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2= 515, 516, 517,
&end
#
# 6 CYX H 6 CYX HB2 3.86 (#peak 75 #SUP 0.96 #QF 0.66)
&rst
ixpk= 75, nxpk= 0, iat= 78, 82, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 6 CYX H 6 CYX HB3 3.86 (#peak 76 #SUP 0.89 #QF 0.76)
&rst
ixpk= 76, nxpk= 0, iat= 78, 83, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 40 HIS H 40 HIS HB2 3.77 (#peak 77 #SUP 0.92 #QF 0.92)
&rst
ixpk= 77, nxpk= 0, iat= 444, 448, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 40 HIS H 40 HIS HB3 3.77 (#peak 78 #SUP 0.96 #QF 0.96)
&rst
ixpk= 78, nxpk= 0, iat= 444, 449, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 46 TYR H 46 TYR QB 2.60 (#peak 81 #SUP 0.81 #QF 0.81)
&rst
ixpk= 81, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 544, 545,
&end
#
# 46 TYR QB 47 LEU H 3.40 (#peak 82 #SUP 0.96 #QF 0.96)
&rst
ixpk= 82, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 544, 545,
&end
#
# 8 THR H 8 THR QG2 3.91 (#peak 83 #SUP 1.00)
&rst
ixpk= 83, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 104, 105, 106,
&end
#
# 8 THR H 8 THR HB 3.76 (#peak 84 #SUP 0.97 #QF 0.97)
&rst
ixpk= 84, nxpk= 0, iat= 98, 102, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 7 CYX HB3 8 THR H 4.29 (#peak 86 #SUP 0.91 #QF 0.91)
&rst
ixpk= 86, nxpk= 0, iat= 93, 98, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 7 CYX HB2 8 THR H 4.29 (#peak 87 #SUP 0.98 #QF 0.98)
&rst
ixpk= 87, nxpk= 0, iat= 92, 98, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 14 TYR HB2 15 GLN H 3.65 (#peak 91 #SUP 0.91 #QF 0.91)
&rst
ixpk= 91, nxpk= 0, iat= 186, 203, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 14 TYR HB3 15 GLN H 4.04 (#peak 92 #SUP 0.98 #QF 0.98)
&rst
ixpk= 92, nxpk= 0, iat= 187, 203, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 34 GLN HA 35 HIS HD2 3.94 (#peak 99 #SUP 0.84 #QF 0.76)
&rst
ixpk= 99, nxpk= 0, iat= 365, 393, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 35 HIS HA 35 HIS HD2 4.54 (#peak 99 #SUP 0.84 #QF 0.76)
&rst
ixpk= 99, nxpk= 0, iat= 382, 393, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 35 HIS HB2 35 HIS HD2 3.40 (#peak 101 #SUP 0.82 #QF 0.82)
&rst
ixpk= 101, nxpk= 0, iat= 384, 393, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 54 HIS H 54 HIS HB3 3.90 (#peak 104 #SUP 0.81 #QF 0.81)
&rst
ixpk= 104, nxpk= 0, iat= 659, 664, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 54 HIS H 54 HIS HB2 3.90 (#peak 105 #SUP 0.95 #QF 0.95)
&rst
ixpk= 105, nxpk= 0, iat= 659, 663, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 55 PHE HA 56 TYR H 2.83 (#peak 109 #SUP 0.86 #QF 0.62)
&rst
ixpk= 109, nxpk= 0, iat= 678, 696, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 56 TYR HA 57 THR H 2.66 (#peak 111 #SUP 0.74 #QF 0.74)
&rst
ixpk= 111, nxpk= 0, iat= 698, 717, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, &end
#
# 57 THR H 57 THR HB 3.77 (#peak 113 #SUP 0.76 #QF 0.76)
&rst
ixpk= 113, nxpk= 0, iat= 717, 721, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 53 GLY QA 54 HIS H 2.77 (#peak 114 #SUP 1.00)
&rst
ixpk= 114, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 654, 655,
&end
#
# 53 GLY H 53 GLY QA 2.68 (#peak 115 #SUP 1.00)
&rst
ixpk= 115, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2= 654, 655,
&end
#
# 50 GLY QA 51 GLU H 3.01 (#peak 116 #SUP 0.99 #QF 0.99)
&rst
ixpk= 116, nxpk= 0, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr1= 608, 609,
&end
#
# 51 GLU HA 52 ARG H 3.33 (#peak 119 #SUP 0.94 #QF 0.88)
&rst
ixpk= 119, nxpk= 0, iat= 615, 628, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 58 PRO HA 59 LYS H 2.62 (#peak 121 #SUP 0.60 #QF 0.60)
&rst
ixpk= 121, nxpk= 0, iat= 741, 745, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 19 TYR H 19 TYR HB3 3.67 (#peak 122 #SUP 1.00)
&rst
ixpk= 122, nxpk= 0, iat= 268, 273, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 19 TYR H 19 TYR HB2 3.09 (#peak 123 #SUP 0.96 #QF 0.96)
&rst
ixpk= 123, nxpk= 0, iat= 268, 272, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 18 ASN HB2 19 TYR H 4.00 (#peak 124 #SUP 0.98 #QF 0.98)
&rst
ixpk= 124, nxpk= 0, iat= 258, 268, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 ASN HB3 19 TYR H 4.00 (#peak 125 #SUP 0.99 #QF 0.99)
&rst
ixpk= 125, nxpk= 0, iat= 259, 268, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 56 TYR H 56 TYR QB 2.90 (#peak 126 #SUP 0.90 #QF 0.90)
&rst
ixpk= 126, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 700, 701,
&end
#
# 56 TYR QB 57 THR H 3.44 (#peak 127 #SUP 0.92 #QF 0.92)
&rst
ixpk= 127, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 700, 701,
&end
#
# 55 PHE H 55 PHE HB2 3.70 (#peak 128 #SUP 0.96 #QF 0.96)
&rst
ixpk= 128, nxpk= 0, iat= 676, 680, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 55 PHE HB2 56 TYR H 4.18 (#peak 129 #SUP 0.99 #QF 0.99)
&rst
ixpk= 129, nxpk= 0, iat= 680, 696, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 55 PHE H 55 PHE HB3 3.70 (#peak 131 #SUP 0.94 #QF 0.94)
&rst
ixpk= 131, nxpk= 0, iat= 676, 681, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 55 PHE HB3 56 TYR H 4.18 (#peak 132 #SUP 0.96 #QF 0.96)
&rst
ixpk= 132, nxpk= 0, iat= 681, 696, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 20 CYX HB3 21 ASN H 4.01 (#peak 134 #SUP 0.98 #QF 0.76)
&rst
ixpk= 134, nxpk= 0, iat= 294, 299, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 20 CYX HB2 21 ASN H 4.01 (#peak 136 #SUP 0.79 #QF 0.79)
&rst
ixpk= 136, nxpk= 0, iat= 293, 299, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 45 LEU HA 46 TYR H 3.57 (#peak 138 #SUP 0.88 #QF 0.88)
&rst
ixpk= 138, nxpk= 0, iat= 523, 540, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 12 SER HB2 14 TYR H 3.87 (#peak 139 #SUP 0.97 #QF 0.97)
&rst
ixpk= 139, nxpk= 0, iat= 156, 182, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 12 SER HA 14 TYR H 4.43 (#peak 140 #SUP 1.00)
&rst
ixpk= 140, nxpk= 0, iat= 154, 182, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 37 CYX H 40 HIS HB2 3.76 (#peak 142 #SUP 0.91 #QF 0.91)
&rst
ixpk= 142, nxpk= 0, iat= 416, 448, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 37 CYX H 40 HIS HB3 3.76 (#peak 143 #SUP 0.84 #QF 0.84)
&rst
ixpk= 143, nxpk= 0, iat= 416, 449, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 11 CYX HB2 12 SER H 4.45 (#peak 144 #SUP 1.00)
&rst
ixpk= 144, nxpk= 0, iat= 146, 152, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 11 CYX HB3 12 SER H 4.45 (#peak 145 #SUP 0.98 #QF 0.98)
&rst
ixpk= 145, nxpk= 0, iat= 147, 152, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 52 ARG H 52 ARG QD 4.07 (#peak 146 #SUP 0.94 #QF 0.94)
&rst
ixpk= 146, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 638, 639,
&end
#
# 17 GLU H 17 GLU HA 2.92 (#peak 148 #SUP 0.94 #QF 0.94)
&rst
ixpk= 148, nxpk= 0, iat= 239, 241, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 1 GLY QA 2 ILE H 2.60 (#peak 149 #SUP 1.00)
&rst
ixpk= 149, nxpk= 0, iat= -1, 11, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 6, 7,
&end
#
# 52 ARG HB3 52 ARG HE 4.28 (#peak 158 #SUP 0.96 #QF 0.96)
&rst
ixpk= 158, nxpk= 0, iat= 633, 641, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 31 PHE QD 33 ASN HA 4.07 (#peak 159 #SUP 0.93 #QF 0.93)
&rst
ixpk= 159, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 321, 329,
&end
#
# 2 ILE QD1 3 VAL H 4.68 (#peak 160 #SUP 0.96 #QF 0.96)
&rst
ixpk= 160, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 24, 25, 26,
&end
#
# 38 GLY H 39 SER H 4.63 (#peak 161 #SUP 0.93 #QF 0.93)
&rst
ixpk= 161, nxpk= 0, iat= 426, 433, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 35 HIS H 36 LEU H 4.78 (#peak 162 #SUP 0.97 #QF 0.97)
&rst
ixpk= 162, nxpk= 0, iat= 380, 397, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 36 LEU H 37 CYX H 4.78 (#peak 165 #SUP 0.96 #QF 0.96)
&rst
ixpk= 165, nxpk= 0, iat= 397, 416, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 37 CYX H 38 GLY H 4.62 (#peak 166 #SUP 0.97 #QF 0.97)
&rst
ixpk= 166, nxpk= 0, iat= 416, 426, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 11 CYX H 12 SER H 5.08 (#peak 167 #SUP 0.96 #QF 0.96)
&rst
ixpk= 167, nxpk= 0, iat= 142, 152, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 47 LEU H 48 VAL H 3.56 (#peak 170 #SUP 0.99 #QF 0.99)
&rst
ixpk= 170, nxpk= 0, iat= 561, 580, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 48 VAL H 50 GLY H 4.34 (#peak 171 #SUP 0.93 #QF 0.93)
&rst
ixpk= 171, nxpk= 0, iat= 580, 606, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 49 CYX H 50 GLY H 3.07 (#peak 172 #SUP 0.88 #QF 0.88)
&rst
ixpk= 172, nxpk= 0, iat= 596, 606, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 39 SER H 40 HIS H 3.40 (#peak 173 #SUP 0.83 #QF 0.83)
&rst
ixpk= 173, nxpk= 0, iat= 433, 444, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 49 CYX H 51 GLU H 4.40 (#peak 174 #SUP 0.98 #QF 0.98)
&rst
ixpk= 174, nxpk= 0, iat= 596, 613, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 12 SER H 16 LEU H 4.42 (#peak 175 #SUP 0.92 #QF 0.92)
&rst
ixpk= 175, nxpk= 0, iat= 152, 220, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 4 GLU H 5 GLN H 3.63 (#peak 176 #SUP 0.63 #QF 0.63)
&rst
ixpk= 176, nxpk= 0, iat= 46, 61, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 59 LYS H 60 THR H 4.35 (#peak 177 #SUP 0.98 #QF 0.98)
&rst
ixpk= 177, nxpk= 0, iat= 745, 767, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 37 CYX H 40 HIS H 4.41 (#peak 178 #SUP 0.96 #QF 0.96)
&rst
ixpk= 178, nxpk= 0, iat= 416, 444, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 52 ARG H 53 GLY H 3.33 (#peak 179 #SUP 0.71 #QF 0.71)
&rst
ixpk= 179, nxpk= 0, iat= 628, 652, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 54 HIS H 55 PHE H 3.36 (#peak 180 #SUP 0.83 #QF 0.83)
&rst
ixpk= 180, nxpk= 0, iat= 659, 676, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 46 TYR H 47 LEU H 3.54 (#peak 181 #SUP 0.85 #QF 0.85)
&rst
ixpk= 181, nxpk= 0, iat= 540, 561, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 17 GLU H 19 TYR H 4.99 (#peak 182 #SUP 0.92 #QF 0.51)
&rst
ixpk= 182, nxpk= 0, iat= 239, 268, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 56 TYR H 57 THR H 5.39 (#peak 182 #SUP 0.92 #QF 0.51)
&rst
ixpk= 182, nxpk= 0, iat= 696, 717, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 44 ALA H 45 LEU H 3.10 (#peak 183 #SUP 0.90 #QF 0.90)
&rst
ixpk= 183, nxpk= 0, iat= 511, 521, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 43 GLU H 44 ALA H 3.18 (#peak 184 #SUP 0.96 #QF 0.96)
&rst
ixpk= 184, nxpk= 0, iat= 496, 511, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 50 GLY H 51 GLU H 3.27 (#peak 185 #SUP 0.84 #QF 0.84)
&rst
ixpk= 185, nxpk= 0, iat= 606, 613, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 12 SER H 15 GLN H 4.20 (#peak 186 #SUP 0.99 #QF 0.99)
&rst
ixpk= 186, nxpk= 0, iat= 152, 203, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 13 LEU H 15 GLN H 4.67 (#peak 187 #SUP 0.99 #QF 0.99)
&rst
ixpk= 187, nxpk= 0, iat= 163, 203, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 13 LEU H 14 TYR H 3.25 (#peak 188 #SUP 0.99 #QF 0.99)
&rst
ixpk= 188, nxpk= 0, iat= 163, 182, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 12 SER H 14 TYR H 5.28 (#peak 189 #SUP 0.68 #QF 0.68)
&rst
ixpk= 189, nxpk= 0, iat= 152, 182, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 35 HIS H 35 HIS HD2 3.18 (#peak 191 #SUP 0.92 #QF 0.92)
&rst
ixpk= 191, nxpk= 0, iat= 380, 393, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 33 ASN H 33 ASN HD22 4.95 (#peak 192 #SUP 0.99 #QF 0.99)
&rst
ixpk= 192, nxpk= 0, iat= 349, 359, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 31 PHE QE 34 GLN H 4.79 (#peak 193 #SUP 0.97 #QF 0.95)
&rst
ixpk= 193, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 323, 327,
&end
#
# 2 ILE H 19 TYR QD 4.52 (#peak 194 #SUP 0.97 #QF 0.97)
&rst
ixpk= 194, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 276, 285,
&end
#
# 31 PHE QD 33 ASN H 4.66 (#peak 195 #SUP 0.96 #QF 0.96)
&rst
ixpk= 195, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 321, 329,
&end
#
# 13 LEU H 31 PHE QD 4.82 (#peak 196 #SUP 0.98 #QF 0.98)
&rst
ixpk= 196, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 321, 329,
&end
#
# 15 GLN H 16 LEU H 3.11 (#peak 197 #SUP 0.91 #QF 0.91)
&rst
ixpk= 197, nxpk= 0, iat= 203, 220, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 15 GLN H 17 GLU H 4.27 (#peak 198 #SUP 0.81 #QF 0.81)
&rst
ixpk= 198, nxpk= 0, iat= 203, 239, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 20 CYX H 21 ASN H 3.28 (#peak 199 #SUP 0.67 #QF 0.67)
&rst
ixpk= 199, nxpk= 0, iat= 289, 299, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 16 LEU H 18 ASN H 4.53 (#peak 200 #SUP 0.77 #QF 0.77)
&rst
ixpk= 200, nxpk= 0, iat= 220, 254, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 17 GLU H 18 ASN H 3.15 (#peak 201 #SUP 0.92 #QF 0.92)
&rst
ixpk= 201, nxpk= 0, iat= 239, 254, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 40 HIS H 40 HIS HD2 3.79 (#peak 202 #SUP 0.92 #QF 0.92)
&rst
ixpk= 202, nxpk= 0, iat= 444, 457, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 19 TYR H 20 CYX H 2.92 (#peak 203 #SUP 0.75 #QF 0.75)
&rst
ixpk= 203, nxpk= 0, iat= 268, 289, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 18 ASN H 19 TYR H 3.09 (#peak 204 #SUP 0.82 #QF 0.82)
&rst
ixpk= 204, nxpk= 0, iat= 254, 268, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 19 TYR H 19 TYR QD 3.39 (#peak 205 #SUP 0.99 #QF 0.99)
&rst
ixpk= 205, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 276, 285,
&end
#
# 16 LEU H 19 TYR QD 5.22 (#peak 206 #SUP 0.99 #QF 0.99)
&rst
ixpk= 206, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 276, 285,
&end
#
# 17 GLU H 19 TYR QD 5.25 (#peak 207 #SUP 0.88 #QF 0.88)
&rst
ixpk= 207, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 276, 285,
&end
#
# 7 CYX H 9 SER H 4.61 (#peak 208 #SUP 0.66 #QF 0.66)
&rst
ixpk= 208, nxpk= 0, iat= 88, 112, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 8 THR H 9 SER H 4.50 (#peak 209 #SUP 0.93 #QF 0.93)
&rst
ixpk= 209, nxpk= 0, iat= 98, 112, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 VAL H 43 GLU H 3.40 (#peak 210 #SUP 0.90 #QF 0.90)
&rst
ixpk= 210, nxpk= 0, iat= 480, 496, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 42 VAL H 44 ALA H 4.61 (#peak 211 #SUP 0.97 #QF 0.97)
&rst
ixpk= 211, nxpk= 0, iat= 480, 511, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 42 VAL H 45 LEU H 5.50 (#peak 212 #SUP 0.96 #QF 0.60)
&rst
ixpk= 212, nxpk= 0, iat= 480, 521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 PHE H 55 PHE QE 5.50 (#peak 212 #SUP 0.96 #QF 0.60)
&rst
ixpk= 212, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 686, 690,
&end
#
# 31 PHE QD 32 VAL H 3.98 (#peak 213 #SUP 0.97 #QF 0.97)
&rst
ixpk= 213, nxpk= 0, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 321, 329,
&end
#
# 55 PHE H 55 PHE QD 3.54 (#peak 214 #SUP 0.93 #QF 0.93)
&rst
ixpk= 214, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 684, 692,
&end
#
# 55 PHE QD 56 TYR H 4.01 (#peak 215 #SUP 0.98 #QF 0.98)
&rst
ixpk= 215, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 684, 692,
&end
#
# 40 HIS H 41 LEU H 3.47 (#peak 216 #SUP 0.91 #QF 0.91)
&rst
ixpk= 216, nxpk= 0, iat= 444, 461, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 46 TYR H 46 TYR QD 3.96 (#peak 217 #SUP 0.99 #QF 0.99)
&rst
ixpk= 217, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 548, 557,
&end
#
# 56 TYR H 56 TYR QD 3.49 (#peak 219 #SUP 0.94 #QF 0.94)
&rst
ixpk= 219, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 704, 713,
&end
#
# 54 HIS H 54 HIS HD2 3.86 (#peak 220 #SUP 0.82 #QF 0.82)
&rst
ixpk= 220, nxpk= 0, iat= 659, 672, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 56 TYR QD 57 THR H 4.37 (#peak 221 #SUP 0.97 #QF 0.97)
&rst
ixpk= 221, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 704, 713,
&end
#
# 46 TYR QD 47 LEU H 3.97 (#peak 222 #SUP 0.94 #QF 0.94)
&rst
ixpk= 222, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 548, 557,
&end
#
# 14 TYR QD 15 GLN H 4.35 (#peak 223 #SUP 0.98 #QF 0.98)
&rst
ixpk= 223, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 190, 199,
&end
#
# 14 TYR H 14 TYR QD 3.57 (#peak 224 #SUP 0.94 #QF 0.94)
&rst
ixpk= 224, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 190, 199,
&end
#
# 2 ILE H 19 TYR QE 3.95 (#peak 225 #SUP 0.99 #QF 0.99)
&rst
ixpk= 225, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 278, 283,
&end
#
# 6 CYX H 19 TYR QE 5.50 (#peak 226 #SUP 0.81 #QF 0.81)
&rst
ixpk= 226, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 278, 283,
&end
#
# 56 TYR H 56 TYR QE 4.54 (#peak 227 #SUP 0.85 #QF 0.85)
&rst
ixpk= 227, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 706, 711,
&end
#
# 19 TYR H 19 TYR QE 4.69 (#peak 229 #SUP 0.95 #QF 0.95)
&rst
ixpk= 229, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 278, 283,
&end
#
# 18 ASN H 18 ASN HD21 4.70 (#peak 236 #SUP 0.99 #QF 0.99)
&rst
ixpk= 236, nxpk= 0, iat= 254, 263, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 15 GLN HA 18 ASN HD21 4.21 (#peak 238 #SUP 0.91 #QF 0.91)
&rst
ixpk= 238, nxpk= 0, iat= 205, 263, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 38 GLY H 41 LEU HB2 5.11 (#peak 241 #SUP 0.84 #QF 0.84)
&rst
ixpk= 241, nxpk= 0, iat= 426, 465, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 10 ILE QG2 11 CYX H 4.24 (#peak 243 #SUP 0.96 #QF 0.96)
&rst
ixpk= 243, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 129, 130, 131,
&end
#
# 36 LEU H 36 LEU HG 4.36 (#peak 246 #SUP 0.97 #QF 0.97)
&rst
ixpk= 246, nxpk= 0, iat= 397, 404, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 36 LEU H 36 LEU QD1 4.66 (#peak 248 #SUP 0.77 #QF 0.77)
&rst
ixpk= 248, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 406, 407, 408,
&end
#
# 36 LEU H 36 LEU QD2 4.66 (#peak 249 #SUP 0.84 #QF 0.84)
&rst
ixpk= 249, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 410, 411, 412,
&end
#
# 12 SER H 15 GLN HG3 4.42 (#peak 251 #SUP 0.66 #QF 0.66)
&rst
ixpk= 251, nxpk= 0, iat= 152, 211, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 12 SER H 15 GLN HB2 3.92 (#peak 252 #SUP 0.82 #QF 0.82)
&rst
ixpk= 252, nxpk= 0, iat= 152, 207, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 12 SER H 15 GLN HG2 4.42 (#peak 253 #SUP 0.68 #QF 0.68)
&rst
ixpk= 253, nxpk= 0, iat= 152, 210, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 46 TYR HA 49 CYX H 4.12 (#peak 254 #SUP 0.94 #QF 0.94)
&rst
ixpk= 254, nxpk= 0, iat= 542, 596, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 47 LEU HA 49 CYX H 4.58 (#peak 255 #SUP 0.97 #QF 0.97)
&rst
ixpk= 255, nxpk= 0, iat= 563, 596, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 45 LEU HA 49 CYX H 3.87 (#peak 256 #SUP 0.85 #QF 0.85)
&rst
ixpk= 256, nxpk= 0, iat= 523, 596, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 13 LEU H 14 TYR HA 5.50 (#peak 258 #SUP 0.99 #QF 0.99)
&rst
ixpk= 258, nxpk= 0, iat= 163, 184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 GLN HG2 35 HIS H 5.03 (#peak 259 #SUP 0.98 #QF 0.98)
&rst
ixpk= 259, nxpk= 0, iat= 370, 380, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 34 GLN HG3 35 HIS H 5.03 (#peak 260 #SUP 0.96 #QF 0.96)
&rst
ixpk= 260, nxpk= 0, iat= 371, 380, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 34 GLN HB3 35 HIS H 4.33 (#peak 261 #SUP 0.93 #QF 0.93)
&rst
ixpk= 261, nxpk= 0, iat= 368, 380, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 34 GLN HB2 35 HIS H 3.44 (#peak 262 #SUP 0.94 #QF 0.94)
&rst
ixpk= 262, nxpk= 0, iat= 367, 380, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 48 VAL HB 49 CYX H 4.10 (#peak 263 #SUP 0.99 #QF 0.99)
&rst
ixpk= 263, nxpk= 0, iat= 584, 596, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 47 LEU HB3 49 CYX H 5.39 (#peak 264 #SUP 0.91 #QF 0.91)
&rst
ixpk= 264, nxpk= 0, iat= 566, 596, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 45 LEU HB2 49 CYX H 5.06 (#peak 265 #SUP 0.68 #QF 0.68)
&rst
ixpk= 265, nxpk= 0, iat= 525, 596, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 48 VAL QG1 49 CYX H 3.37 (#peak 266 #SUP 0.99 #QF 0.99)
&rst
ixpk= 266, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 586, 587, 588,
&end
#
# 48 VAL QG2 49 CYX H 3.99 (#peak 267 #SUP 1.00)
&rst
ixpk= 267, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 590, 591, 592,
&end
#
# 45 LEU QD1 49 CYX H 4.91 (#peak 268 #SUP 0.80 #QF 0.80)
&rst
ixpk= 268, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 530, 531, 532,
&end
#
# 13 LEU H 13 LEU QD1 4.17 (#peak 269 #SUP 0.94 #QF 0.94)
&rst
ixpk= 269, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 172, 173, 174,
&end
#
# 13 LEU H 13 LEU QD2 4.17 (#peak 270 #SUP 1.00)
&rst
ixpk= 270, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 176, 177, 178,
&end
#
# 10 ILE QG2 35 HIS H 4.90 (#peak 271 #SUP 0.99 #QF 0.99)
&rst
ixpk= 271, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 129, 130, 131,
&end
#
# 10 ILE QD1 35 HIS HE1 4.44 (#peak 273 #SUP 0.99 #QF 0.99)
&rst
ixpk= 273, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 136, 137, 138,
&end
#
# 10 ILE QD1 35 HIS H 4.15 (#peak 274 #SUP 0.97 #QF 0.97)
&rst
ixpk= 274, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 136, 137, 138,
&end
#
# 13 LEU H 13 LEU HG 3.58 (#peak 278 #SUP 0.87 #QF 0.87)
&rst
ixpk= 278, nxpk= 0, iat= 163, 170, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 13 LEU H 13 LEU QB 2.73 (#peak 279 #SUP 0.94 #QF 0.94)
&rst
ixpk= 279, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr2= 167, 168,
&end
#
# 2 ILE H 2 ILE QG2 2.87 (#peak 280 #SUP 0.92 #QF 0.92)
&rst
ixpk= 280, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 17, 18, 19,
&end
#
# 2 ILE H 2 ILE QD1 4.41 (#peak 281 #SUP 0.98 #QF 0.98)
&rst
ixpk= 281, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 24, 25, 26,
&end
#
# 32 VAL QQG 33 ASN H 3.56 (#peak 282 #SUP 0.96 #QF 0.96)
&rst
ixpk= 282, nxpk= 0, iat= 336, 349, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 47 LEU QQD 48 VAL H 5.06 (#peak 283 #SUP 0.99 #QF 0.31)
&rst
ixpk= 283, nxpk= 0, iat= 567, 580, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76, &end
#
# 48 VAL H 48 VAL QG2 4.84 (#peak 283 #SUP 0.99 #QF 0.31)
&rst
ixpk= 283, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 590, 591, 592,
&end
#
# 48 VAL H 48 VAL QG1 2.94 (#peak 284 #SUP 0.92 #QF 0.92)
&rst
ixpk= 284, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 586, 587, 588,
&end
#
# 10 ILE QG2 34 GLN H 3.76 (#peak 285 #SUP 0.98 #QF 0.98)
&rst
ixpk= 285, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 129, 130, 131,
&end
#
# 10 ILE QD1 34 GLN H 4.28 (#peak 286 #SUP 0.99 #QF 0.99)
&rst
ixpk= 286, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 136, 137, 138,
&end
#
# 32 VAL QQG 34 GLN H 4.79 (#peak 287 #SUP 0.95 #QF 0.95)
&rst
ixpk= 287, nxpk= 0, iat= 336, 363, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, &end
#
# 44 ALA QB 48 VAL H 4.91 (#peak 288 #SUP 0.81 #QF 0.81)
&rst
ixpk= 288, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 515, 516, 517,
&end
#
# 47 LEU HG 48 VAL H 4.96 (#peak 289 #SUP 0.99 #QF 0.99)
&rst
ixpk= 289, nxpk= 0, iat= 568, 580, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 47 LEU HB3 48 VAL H 3.55 (#peak 290 #SUP 0.93 #QF 0.93)
&rst
ixpk= 290, nxpk= 0, iat= 566, 580, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 48 VAL H 48 VAL HB 3.09 (#peak 291 #SUP 0.92 #QF 0.92)
&rst
ixpk= 291, nxpk= 0, iat= 580, 584, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 47 LEU HB2 48 VAL H 3.55 (#peak 292 #SUP 0.97 #QF 0.97)
&rst
ixpk= 292, nxpk= 0, iat= 565, 580, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 34 GLN H 34 GLN HG2 3.90 (#peak 293 #SUP 0.96 #QF 0.96)
&rst
ixpk= 293, nxpk= 0, iat= 363, 370, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 34 GLN H 34 GLN HG3 3.90 (#peak 294 #SUP 0.97 #QF 0.97)
&rst
ixpk= 294, nxpk= 0, iat= 363, 371, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 34 GLN H 34 GLN HB3 3.81 (#peak 295 #SUP 0.88 #QF 0.88)
&rst
ixpk= 295, nxpk= 0, iat= 363, 368, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 32 VAL HB 33 ASN H 4.53 (#peak 296 #SUP 0.97 #QF 0.97)
&rst
ixpk= 296, nxpk= 0, iat= 337, 349, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 34 GLN H 34 GLN HB2 4.17 (#peak 297 #SUP 0.98 #QF 0.98)
&rst
ixpk= 297, nxpk= 0, iat= 363, 367, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 10 ILE H 10 ILE QG2 3.95 (#peak 298 #SUP 1.00)
&rst
ixpk= 298, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 129, 130, 131,
&end
#
# 10 ILE H 10 ILE QD1 4.10 (#peak 299 #SUP 0.98 #QF 0.98)
&rst
ixpk= 299, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 136, 137, 138,
&end
#
# 10 ILE H 10 ILE HG13 4.54 (#peak 300 #SUP 0.99 #QF 0.99)
&rst
ixpk= 300, nxpk= 0, iat= 123, 134, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 47 LEU H 48 VAL QG1 4.54 (#peak 301 #SUP 0.96 #QF 0.96)
&rst
ixpk= 301, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 586, 587, 588,
&end
#
# 47 LEU H 47 LEU QQD 3.93 (#peak 302 #SUP 0.98 #QF 0.98)
&rst
ixpk= 302, nxpk= 0, iat= 561, 567, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 45 LEU QD1 47 LEU H 4.81 (#peak 303 #SUP 0.66 #QF 0.66)
&rst
ixpk= 303, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 530, 531, 532,
&end
#
# 2 ILE QD1 19 TYR H 5.17 (#peak 305 #SUP 0.99 #QF 0.99)
&rst
ixpk= 305, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 24, 25, 26,
&end
#
# 44 ALA H 45 LEU QD2 5.50 (#peak 307 #SUP 0.87 #QF 0.82)
&rst
ixpk= 307, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 534, 535, 536,
&end
#
# 10 ILE H 10 ILE HG12 4.54 (#peak 309 #SUP 0.97 #QF 0.97)
&rst
ixpk= 309, nxpk= 0, iat= 123, 133, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 57 THR H 57 THR QG2 4.02 (#peak 310 #SUP 1.00)
&rst
ixpk= 310, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 723, 724, 725,
&end
#
# 42 VAL QG1 43 GLU H 3.94 (#peak 311 #SUP 0.97 #QF 0.97)
&rst
ixpk= 311, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 486, 487, 488,
&end
#
# 42 VAL QG2 43 GLU H 3.94 (#peak 312 #SUP 0.97 #QF 0.97)
&rst
ixpk= 312, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 490, 491, 492,
&end
#
# 2 ILE QG2 3 VAL H 2.93 (#peak 313 #SUP 0.79 #QF 0.79)
&rst
ixpk= 313, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 17, 18, 19,
&end
#
# 3 VAL QG1 4 GLU H 3.41 (#peak 314 #SUP 0.81 #QF 0.74)
&rst
ixpk= 314, nxpk= 0, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 36, 37, 38,
&end
#
# 3 VAL QG2 4 GLU H 3.41 (#peak 315 #SUP 0.63 #QF 0.63)
&rst
ixpk= 315, nxpk= 0, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 40, 41, 42,
&end
#
# 32 VAL H 32 VAL QQG 3.20 (#peak 316 #SUP 0.96 #QF 0.96)
&rst
ixpk= 316, nxpk= 0, iat= 333, 336, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 45 LEU H 45 LEU QD1 4.65 (#peak 317 #SUP 0.99 #QF 0.84)
&rst
ixpk= 317, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 530, 531, 532,
&end
#
# 45 LEU H 45 LEU QD2 3.70 (#peak 318 #SUP 0.99 #QF 0.99)
&rst
ixpk= 318, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 534, 535, 536,
&end
#
# 3 VAL QG2 7 CYX H 5.50 (#peak 319 #SUP 0.89 #QF 0.89)
&rst
ixpk= 319, nxpk= 0, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 40, 41, 42,
&end
#
# 6 CYX H 41 LEU QD1 5.50 (#peak 320 #SUP 0.90 #QF 0.66)
&rst
ixpk= 320, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 470, 471, 472,
&end
#
# 7 CYX H 41 LEU QD1 5.50 (#peak 320 #SUP 0.90 #QF 0.66)
&rst
ixpk= 320, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 470, 471, 472,
&end
#
# 6 CYX H 41 LEU QD2 5.50 (#peak 321 #SUP 0.97 #QF 0.49)
&rst
ixpk= 321, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 474, 475, 476,
&end
#
# 7 CYX H 41 LEU QD2 5.50 (#peak 321 #SUP 0.97 #QF 0.49)
&rst
ixpk= 321, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 474, 475, 476,
&end
#
# 3 VAL QG1 7 CYX H 5.50 (#peak 322 #SUP 0.87 #QF 0.63)
&rst
ixpk= 322, nxpk= 0, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 36, 37, 38,
&end
#
# 36 LEU HB3 37 CYX H 4.39 (#peak 323 #SUP 0.99 #QF 0.99)
&rst
ixpk= 323, nxpk= 0, iat= 402, 416, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 36 LEU QD2 37 CYX H 5.10 (#peak 324 #SUP 0.97 #QF 0.97)
&rst
ixpk= 324, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 410, 411, 412,
&end
#
# 17 GLU H 48 VAL QG1 4.74 (#peak 325 #SUP 0.99 #QF 0.99)
&rst
ixpk= 325, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 586, 587, 588,
&end
#
# 6 CYX H 8 THR QG2 4.66 (#peak 326 #SUP 0.92 #QF 0.38)
&rst
ixpk= 326, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 104, 105, 106,
&end
#
# 7 CYX H 8 THR QG2 5.02 (#peak 326 #SUP 0.92 #QF 0.38)
&rst
ixpk= 326, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 104, 105, 106,
&end
#
# 4 GLU H 8 THR QG2 5.50 (#peak 328 #SUP 0.90 #QF 0.90)
&rst
ixpk= 328, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 104, 105, 106,
&end
#
# 2 ILE HB 3 VAL H 4.42 (#peak 329 #SUP 0.61 #QF 0.61)
&rst
ixpk= 329, nxpk= 0, iat= 15, 30, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 10 ILE QD1 35 HIS HD2 3.80 (#peak 330 #SUP 0.96 #QF 0.96)
&rst
ixpk= 330, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 136, 137, 138,
&end
#
# 13 LEU QD1 14 TYR H 5.05 (#peak 331 #SUP 0.90 #QF 0.85)
&rst
ixpk= 331, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 172, 173, 174,
&end
#
# 20 CYX H 45 LEU QD1 5.50 (#peak 331 #SUP 0.90 #QF 0.85)
&rst
ixpk= 331, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 530, 531, 532,
&end
#
# 13 LEU QD2 14 TYR H 5.05 (#peak 332 #SUP 0.99 #QF 0.99)
&rst
ixpk= 332, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 176, 177, 178,
&end
#
# 13 LEU QB 15 GLN H 5.27 (#peak 333 #SUP 0.98 #QF 0.98)
&rst
ixpk= 333, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 167, 168,
&end
#
# 13 LEU HG 14 TYR H 4.46 (#peak 334 #SUP 0.96 #QF 0.96)
&rst
ixpk= 334, nxpk= 0, iat= 170, 182, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 13 LEU QB 14 TYR H 3.58 (#peak 335 #SUP 0.99 #QF 0.99)
&rst
ixpk= 335, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 167, 168,
&end
#
# 2 ILE QG2 19 TYR QD 4.04 (#peak 339 #SUP 0.96 #QF 0.96)
&rst
ixpk= 339, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 17, 18, 19,
igr2= 276, 285,
&end
#
# 19 TYR QD 45 LEU QD2 4.54 (#peak 340 #SUP 0.94 #QF 0.94)
&rst
ixpk= 340, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 276, 285,
igr2= 534, 535, 536,
&end
#
# 2 ILE QD1 19 TYR QD 3.57 (#peak 341 #SUP 0.99 #QF 0.99)
&rst
ixpk= 341, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 24, 25, 26,
igr2= 276, 285,
&end
#
# 13 LEU QD1 31 PHE QE 5.19 (#peak 343 #SUP 0.66 #QF 0.28)
&rst
ixpk= 343, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 172, 173, 174,
igr2= 323, 327,
&end
#
# 13 LEU QD2 31 PHE QE 5.19 (#peak 344 #SUP 0.98 #QF 0.77)
&rst
ixpk= 344, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 176, 177, 178,
igr2= 323, 327,
&end
#
# 42 VAL H 42 VAL QG1 3.98 (#peak 345 #SUP 0.93 #QF 0.93)
&rst
ixpk= 345, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 486, 487, 488,
&end
#
# 42 VAL H 42 VAL QG2 3.98 (#peak 346 #SUP 1.00)
&rst
ixpk= 346, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 490, 491, 492,
&end
#
# 41 LEU QD1 42 VAL H 4.67 (#peak 347 #SUP 0.94 #QF 0.94)
&rst
ixpk= 347, nxpk= 0, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 470, 471, 472,
&end
#
# 13 LEU QD1 31 PHE QD 4.97 (#peak 348 #SUP 0.97 #QF 0.97)
&rst
ixpk= 348, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 172, 173, 174,
igr2= 321, 329,
&end
#
# 41 LEU QD2 42 VAL H 4.67 (#peak 349 #SUP 0.98 #QF 0.98)
&rst
ixpk= 349, nxpk= 0, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 474, 475, 476,
&end
#
# 13 LEU QD2 31 PHE QD 4.97 (#peak 350 #SUP 0.92 #QF 0.92)
&rst
ixpk= 350, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 176, 177, 178,
igr2= 321, 329,
&end
#
# 42 VAL H 45 LEU QD2 4.77 (#peak 351 #SUP 0.79 #QF 0.79)
&rst
ixpk= 351, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 534, 535, 536,
&end
#
# 41 LEU H 41 LEU QD1 4.42 (#peak 353 #SUP 1.00)
&rst
ixpk= 353, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 470, 471, 472,
&end
#
# 41 LEU H 41 LEU QD2 4.42 (#peak 354 #SUP 0.93 #QF 0.93)
&rst
ixpk= 354, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 474, 475, 476,
&end
#
# 46 TYR QD 47 LEU QQD 3.30 (#peak 356 #SUP 0.35 #QF 0.35)
&rst
ixpk= 356, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 548, 557,
&end
#
# 2 ILE QG2 19 TYR QE 4.39 (#peak 361 #SUP 0.98 #QF 0.98)
&rst
ixpk= 361, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 17, 18, 19,
igr2= 278, 283,
&end
#
# 2 ILE QD1 19 TYR QE 4.14 (#peak 362 #SUP 1.00)
&rst
ixpk= 362, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 24, 25, 26,
igr2= 278, 283,
&end
#
# 2 ILE HB 19 TYR QE 4.27 (#peak 363 #SUP 1.00)
&rst
ixpk= 363, nxpk= 0, iat= 15, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 278, 283,
&end
#
# 2 ILE HB 19 TYR QD 4.36 (#peak 364 #SUP 0.88 #QF 0.88)
&rst
ixpk= 364, nxpk= 0, iat= 15, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 276, 285,
&end
#
# 41 LEU HB3 42 VAL H 4.04 (#peak 365 #SUP 0.93 #QF 0.93)
&rst
ixpk= 365, nxpk= 0, iat= 466, 480, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 41 LEU H 41 LEU HB3 3.75 (#peak 366 #SUP 0.90 #QF 0.90)
&rst
ixpk= 366, nxpk= 0, iat= 461, 466, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 41 LEU HG 42 VAL H 4.94 (#peak 367 #SUP 0.97 #QF 0.97)
&rst
ixpk= 367, nxpk= 0, iat= 468, 480, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 41 LEU H 41 LEU HG 4.61 (#peak 368 #SUP 0.78 #QF 0.78)
&rst
ixpk= 368, nxpk= 0, iat= 461, 468, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 13 LEU QB 14 TYR QD 4.91 (#peak 369 #SUP 0.94 #QF 0.94)
&rst
ixpk= 369, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 167, 168,
igr2= 190, 199,
&end
#
# 46 TYR QD 47 LEU HG 3.80 (#peak 370 #SUP 0.99 #QF 0.99)
&rst
ixpk= 370, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 548, 557,
&end
#
# 46 TYR QD 47 LEU HB3 5.01 (#peak 371 #SUP 0.96 #QF 0.96)
&rst
ixpk= 371, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 548, 557,
&end
#
# 52 ARG HG2 52 ARG HE 4.09 (#peak 372 #SUP 1.00)
&rst
ixpk= 372, nxpk= 0, iat= 635, 641, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 52 ARG HG3 52 ARG HE 4.09 (#peak 373 #SUP 0.94 #QF 0.94)
&rst
ixpk= 373, nxpk= 0, iat= 636, 641, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 47 LEU H 47 LEU HB2 3.59 (#peak 374 #SUP 0.97 #QF 0.97)
&rst
ixpk= 374, nxpk= 0, iat= 561, 565, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 47 LEU H 47 LEU HG 3.69 (#peak 375 #SUP 0.97 #QF 0.97)
&rst
ixpk= 375, nxpk= 0, iat= 561, 568, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 47 LEU H 47 LEU HB3 3.59 (#peak 376 #SUP 0.95 #QF 0.95)
&rst
ixpk= 376, nxpk= 0, iat= 561, 566, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 52 ARG H 52 ARG HB2 3.77 (#peak 377 #SUP 0.95 #QF 0.95)
&rst
ixpk= 377, nxpk= 0, iat= 628, 632, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 52 ARG H 52 ARG HB3 3.77 (#peak 378 #SUP 0.91 #QF 0.91)
&rst
ixpk= 378, nxpk= 0, iat= 628, 633, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 52 ARG H 52 ARG HG2 3.95 (#peak 379 #SUP 0.98 #QF 0.98)
&rst
ixpk= 379, nxpk= 0, iat= 628, 635, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 52 ARG H 52 ARG HG3 3.95 (#peak 380 #SUP 0.93 #QF 0.93)
&rst
ixpk= 380, nxpk= 0, iat= 628, 636, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 44 ALA QB 45 LEU H 3.10 (#peak 381 #SUP 0.90 #QF 0.90)
&rst
ixpk= 381, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 515, 516, 517,
&end
#
# 45 LEU H 45 LEU HB2 3.68 (#peak 382 #SUP 0.96 #QF 0.96)
&rst
ixpk= 382, nxpk= 0, iat= 521, 525, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 45 LEU HB2 46 TYR H 4.16 (#peak 383 #SUP 0.92 #QF 0.92)
&rst
ixpk= 383, nxpk= 0, iat= 525, 540, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 36 LEU HB2 37 CYX H 4.39 (#peak 384 #SUP 0.99 #QF 0.99)
&rst
ixpk= 384, nxpk= 0, iat= 401, 416, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 36 LEU HG 37 CYX H 4.84 (#peak 385 #SUP 0.95 #QF 0.95)
&rst
ixpk= 385, nxpk= 0, iat= 404, 416, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 58 PRO HB3 59 LYS H 4.11 (#peak 387 #SUP 1.00)
&rst
ixpk= 387, nxpk= 0, iat= 739, 745, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 59 LYS H 59 LYS HB2 4.19 (#peak 388 #SUP 0.98 #QF 0.98)
&rst
ixpk= 388, nxpk= 0, iat= 745, 749, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 59 LYS H 59 LYS HB3 4.19 (#peak 389 #SUP 0.82 #QF 0.82)
&rst
ixpk= 389, nxpk= 0, iat= 745, 750, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 15 GLN HB2 16 LEU H 3.73 (#peak 390 #SUP 0.87 #QF 0.87)
&rst
ixpk= 390, nxpk= 0, iat= 207, 220, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 3 VAL H 3 VAL HB 2.71 (#peak 392 #SUP 0.58 #QF 0.58)
&rst
ixpk= 392, nxpk= 0, iat= 30, 34, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 16 LEU H 16 LEU HB2 3.56 (#peak 393 #SUP 0.82 #QF 0.82)
&rst
ixpk= 393, nxpk= 0, iat= 220, 224, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 43 GLU H 44 ALA QB 4.43 (#peak 394 #SUP 0.95 #QF 0.95)
&rst
ixpk= 394, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 515, 516, 517,
&end
#
# 43 GLU HB2 44 ALA H 3.71 (#peak 395 #SUP 0.97 #QF 0.97)
&rst
ixpk= 395, nxpk= 0, iat= 500, 511, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 43 GLU HB3 44 ALA H 3.71 (#peak 396 #SUP 0.99 #QF 0.99)
&rst
ixpk= 396, nxpk= 0, iat= 501, 511, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 44 ALA H 45 LEU HB3 5.50 (#peak 397 #SUP 0.97 #QF 0.97)
&rst
ixpk= 397, nxpk= 0, iat= 511, 526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ALA H 45 LEU HG 4.88 (#peak 398 #SUP 0.80 #QF 0.80)
&rst
ixpk= 398, nxpk= 0, iat= 511, 528, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 10 ILE H 10 ILE HB 3.33 (#peak 399 #SUP 0.96 #QF 0.96)
&rst
ixpk= 399, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 15 GLN H 15 GLN HB2 3.50 (#peak 400 #SUP 0.83 #QF 0.83)
&rst
ixpk= 400, nxpk= 0, iat= 203, 207, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 VAL H 42 VAL HB 3.20 (#peak 402 #SUP 0.94 #QF 0.94)
&rst
ixpk= 402, nxpk= 0, iat= 480, 484, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 41 LEU HB2 42 VAL H 4.04 (#peak 403 #SUP 0.84 #QF 0.84)
&rst
ixpk= 403, nxpk= 0, iat= 465, 480, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 41 LEU H 41 LEU HB2 3.75 (#peak 404 #SUP 0.81 #QF 0.81)
&rst
ixpk= 404, nxpk= 0, iat= 461, 465, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 17 GLU HB2 18 ASN H 3.88 (#peak 407 #SUP 0.94 #QF 0.94)
&rst
ixpk= 407, nxpk= 0, iat= 243, 254, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 17 GLU HB3 18 ASN H 3.88 (#peak 408 #SUP 0.89 #QF 0.89)
&rst
ixpk= 408, nxpk= 0, iat= 244, 254, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 15 GLN HB2 15 GLN HE21 4.32 (#peak 409 #SUP 0.84 #QF 0.84)
&rst
ixpk= 409, nxpk= 0, iat= 207, 215, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 15 GLN HB3 15 GLN HE21 3.58 (#peak 411 #SUP 0.98 #QF 0.59)
&rst
ixpk= 411, nxpk= 0, iat= 208, 215, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 5 GLN HB2 19 TYR QE 4.70 (#peak 414 #SUP 0.97 #QF 0.97)
&rst
ixpk= 414, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 278, 283,
&end
#
# 5 GLN HB3 19 TYR QE 4.70 (#peak 415 #SUP 0.93 #QF 0.93)
&rst
ixpk= 415, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 278, 283,
&end
#
# 18 ASN HB3 19 TYR QE 5.50 (#peak 417 #SUP 0.99 #QF 0.99)
&rst
ixpk= 417, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 278, 283,
&end
#
# 18 ASN H 18 ASN HB2 3.70 (#peak 423 #SUP 0.99 #QF 0.99)
&rst
ixpk= 423, nxpk= 0, iat= 254, 258, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 18 ASN H 18 ASN HB3 3.70 (#peak 424 #SUP 0.92 #QF 0.92)
&rst
ixpk= 424, nxpk= 0, iat= 254, 259, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 43 GLU QG 44 ALA H 4.44 (#peak 426 #SUP 0.90 #QF 0.90)
&rst
ixpk= 426, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 503, 504,
&end
#
# 43 GLU QG 46 TYR QD 4.42 (#peak 427 #SUP 0.70 #QF 0.70)
&rst
ixpk= 427, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 503, 504,
igr2= 548, 557,
&end
#
# 33 ASN QB 33 ASN HD21 3.53 (#peak 428 #SUP 0.96 #QF 0.96)
&rst
ixpk= 428, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 353, 354,
&end
#
# 4 GLU QG 7 CYX H 5.50 (#peak 429 #SUP 0.83 #QF 0.24)
&rst
ixpk= 429, nxpk= 0, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 53, 54,
&end
#
# 5 GLN HG2 6 CYX H 5.50 (#peak 429 #SUP 0.83 #QF 0.24)
&rst
ixpk= 429, nxpk= 0, iat= 68, 78, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 GLU QG 5 GLN H 5.12 (#peak 430 #SUP 0.99 #QF 0.56)
&rst
ixpk= 430, nxpk= 0, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 53, 54,
&end
#
# 5 GLN HG3 6 CYX H 5.50 (#peak 431 #SUP 0.63 #QF 0.63)
&rst
ixpk= 431, nxpk= 0, iat= 69, 78, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 PRO HB2 59 LYS H 4.11 (#peak 433 #SUP 1.00)
&rst
ixpk= 433, nxpk= 0, iat= 738, 745, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 17 GLU H 17 GLU HG3 3.81 (#peak 434 #SUP 0.98 #QF 0.98)
&rst
ixpk= 434, nxpk= 0, iat= 239, 247, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 17 GLU H 17 GLU HG2 3.81 (#peak 435 #SUP 0.91 #QF 0.91)
&rst
ixpk= 435, nxpk= 0, iat= 239, 246, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 4 GLU H 4 GLU QG 3.96 (#peak 436 #SUP 0.82 #QF 0.82)
&rst
ixpk= 436, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 53, 54,
&end
#
# 43 GLU H 43 GLU QG 3.29 (#peak 438 #SUP 0.89 #QF 0.89)
&rst
ixpk= 438, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 503, 504,
&end
#
# 15 GLN HB3 16 LEU H 4.18 (#peak 439 #SUP 0.98 #QF 0.96)
&rst
ixpk= 439, nxpk= 0, iat= 208, 220, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 15 GLN HG3 16 LEU H 5.03 (#peak 439 #SUP 0.98 #QF 0.96)
&rst
ixpk= 439, nxpk= 0, iat= 211, 220, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 31 PHE QB 32 VAL H 4.11 (#peak 441 #SUP 0.92 #QF 0.92)
&rst
ixpk= 441, nxpk= 0, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 317, 318,
&end
#
# 42 VAL HA 45 LEU H 4.02 (#peak 442 #SUP 0.96 #QF 0.96)
&rst
ixpk= 442, nxpk= 0, iat= 482, 521, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 42 VAL HA 46 TYR H 4.29 (#peak 443 #SUP 0.97 #QF 0.97)
&rst
ixpk= 443, nxpk= 0, iat= 482, 540, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 42 VAL HA 44 ALA H 4.71 (#peak 444 #SUP 0.99 #QF 0.99)
&rst
ixpk= 444, nxpk= 0, iat= 482, 511, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 33 ASN QB 33 ASN HD22 3.53 (#peak 447 #SUP 0.99 #QF 0.99)
&rst
ixpk= 447, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 353, 354,
&end
#
# 31 PHE QE 33 ASN QB 5.50 (#peak 448 #SUP 0.94 #QF 0.94)
&rst
ixpk= 448, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 323, 327,
igr2= 353, 354,
&end
#
# 40 HIS HB2 41 LEU H 4.36 (#peak 455 #SUP 0.96 #QF 0.96)
&rst
ixpk= 455, nxpk= 0, iat= 448, 461, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 40 HIS HB3 41 LEU H 4.36 (#peak 456 #SUP 0.94 #QF 0.94)
&rst
ixpk= 456, nxpk= 0, iat= 449, 461, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 1 GLY QA 19 TYR QE 4.46 (#peak 462 #SUP 0.98 #QF 0.98)
&rst
ixpk= 462, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 6, 7,
igr2= 278, 283,
&end
#
# 2 ILE HA 19 TYR QE 4.00 (#peak 463 #SUP 0.99 #QF 0.99)
&rst
ixpk= 463, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 278, 283,
&end
#
# 56 TYR HA 56 TYR QE 4.77 (#peak 465 #SUP 0.94 #QF 0.94)
&rst
ixpk= 465, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 706, 711,
&end
#
# 19 TYR HA 19 TYR QE 4.71 (#peak 466 #SUP 0.94 #QF 0.94)
&rst
ixpk= 466, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 278, 283,
&end
#
# 16 LEU HA 19 TYR QE 3.52 (#peak 468 #SUP 0.83 #QF 0.83)
&rst
ixpk= 468, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 278, 283,
&end
#
# 14 TYR HA 14 TYR QE 4.81 (#peak 469 #SUP 0.95 #QF 0.95)
&rst
ixpk= 469, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 192, 197,
&end
#
# 12 SER HB3 14 TYR QD 4.20 (#peak 470 #SUP 0.46 #QF 0.46)
&rst
ixpk= 470, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 190, 199,
&end
#
# 15 GLN HA 15 GLN HE22 4.62 (#peak 471 #SUP 0.97 #QF 0.97)
&rst
ixpk= 471, nxpk= 0, iat= 205, 216, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 12 SER HB3 14 TYR QE 5.14 (#peak 472 #SUP 0.69 #QF 0.69)
&rst
ixpk= 472, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 192, 197,
&end
#
# 15 GLN HA 18 ASN HD22 4.21 (#peak 473 #SUP 0.88 #QF 0.88)
&rst
ixpk= 473, nxpk= 0, iat= 205, 264, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 53 GLY QA 55 PHE QE 5.38 (#peak 474 #SUP 0.82 #QF 0.65)
&rst
ixpk= 474, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 654, 655,
igr2= 686, 690,
&end
#
# 13 LEU HA 31 PHE QD 5.50 (#peak 475 #SUP 0.81 #QF 0.75)
&rst
ixpk= 475, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 321, 329,
&end
#
# 53 GLY QA 55 PHE HZ 5.50 (#peak 475 #SUP 0.81 #QF 0.75)
&rst
ixpk= 475, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 654, 655,
&end
#
# 53 GLY QA 55 PHE QD 5.19 (#peak 476 #SUP 0.77 #QF 0.58)
&rst
ixpk= 476, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 654, 655,
igr2= 684, 692,
&end
#
# 12 SER HB3 14 TYR H 3.87 (#peak 477 #SUP 0.96 #QF 0.96)
&rst
ixpk= 477, nxpk= 0, iat= 157, 182, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 15 GLN HA 18 ASN H 3.87 (#peak 478 #SUP 0.82 #QF 0.82)
&rst
ixpk= 478, nxpk= 0, iat= 205, 254, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 39 SER HA 42 VAL H 3.92 (#peak 479 #SUP 0.91 #QF 0.91)
&rst
ixpk= 479, nxpk= 0, iat= 435, 480, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 16 LEU HA 19 TYR QD 2.85 (#peak 480 #SUP 0.83 #QF 0.83)
&rst
ixpk= 480, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2= 276, 285,
&end
#
# 31 PHE HA 31 PHE QD 3.36 (#peak 481 #SUP 0.92 #QF 0.92)
&rst
ixpk= 481, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 321, 329,
&end
#
# 19 TYR HA 19 TYR QD 2.87 (#peak 482 #SUP 0.81 #QF 0.81)
&rst
ixpk= 482, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 276, 285,
&end
#
# 31 PHE QE 33 ASN HA 3.92 (#peak 483 #SUP 0.94 #QF 0.94)
&rst
ixpk= 483, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 323, 327,
&end
#
# 12 SER HA 31 PHE QE 4.67 (#peak 484 #SUP 0.67 #QF 0.67)
&rst
ixpk= 484, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 323, 327,
&end
#
# 55 PHE HA 55 PHE QE 4.69 (#peak 485 #SUP 0.92 #QF 0.92)
&rst
ixpk= 485, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 686, 690,
&end
#
# 55 PHE HA 55 PHE QD 3.21 (#peak 486 #SUP 0.95 #QF 0.95)
&rst
ixpk= 486, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 684, 692,
&end
#
# 56 TYR HA 56 TYR QD 3.10 (#peak 487 #SUP 0.92 #QF 0.92)
&rst
ixpk= 487, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 704, 713,
&end
#
# 12 SER HB2 14 TYR QD 4.20 (#peak 489 #SUP 0.96 #QF 0.96)
&rst
ixpk= 489, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 190, 199,
&end
#
# 43 GLU HA 46 TYR QD 3.46 (#peak 490 #SUP 0.96 #QF 0.90)
&rst
ixpk= 490, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 548, 557,
&end
#
# 12 SER HA 15 GLN H 4.95 (#peak 491 #SUP 0.98 #QF 0.98)
&rst
ixpk= 491, nxpk= 0, iat= 154, 203, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 40 HIS HA 44 ALA H 4.37 (#peak 492 #SUP 0.97 #QF 0.97)
&rst
ixpk= 492, nxpk= 0, iat= 446, 511, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 8 THR H 9 SER HA 5.19 (#peak 493 #SUP 0.53 #QF 0.53)
&rst
ixpk= 493, nxpk= 0, iat= 98, 114, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 49 CYX HA 51 GLU H 4.59 (#peak 494 #SUP 0.98 #QF 0.98)
&rst
ixpk= 494, nxpk= 0, iat= 598, 613, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 40 HIS HA 43 GLU H 4.12 (#peak 495 #SUP 0.91 #QF 0.91)
&rst
ixpk= 495, nxpk= 0, iat= 446, 496, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 50 GLY H 51 GLU HA 5.49 (#peak 498 #SUP 0.88 #QF 0.88)
&rst
ixpk= 498, nxpk= 0, iat= 606, 615, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 46 TYR HA 50 GLY H 4.06 (#peak 499 #SUP 0.74 #QF 0.74)
&rst
ixpk= 499, nxpk= 0, iat= 542, 606, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 38 GLY HA3 40 HIS H 4.03 (#peak 500 #SUP 0.68 #QF 0.68)
&rst
ixpk= 500, nxpk= 0, iat= 429, 444, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 43 GLU HA 46 TYR H 3.64 (#peak 501 #SUP 0.88 #QF 0.88)
&rst
ixpk= 501, nxpk= 0, iat= 498, 540, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 4 GLU HA 6 CYX H 4.79 (#peak 503 #SUP 0.78 #QF 0.31)
&rst
ixpk= 503, nxpk= 0, iat= 48, 78, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 4 GLU HA 7 CYX H 4.95 (#peak 503 #SUP 0.78 #QF 0.31)
&rst
ixpk= 503, nxpk= 0, iat= 48, 88, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 4 GLU HA 8 THR H 4.41 (#peak 504 #SUP 0.83 #QF 0.83)
&rst
ixpk= 504, nxpk= 0, iat= 48, 98, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 2 ILE HA 6 CYX H 4.38 (#peak 507 #SUP 0.86 #QF 0.86)
&rst
ixpk= 507, nxpk= 0, iat= 13, 78, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 3 VAL HA 6 CYX H 4.68 (#peak 508 #SUP 0.86 #QF 0.64)
&rst
ixpk= 508, nxpk= 0, iat= 32, 78, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 3 VAL HA 7 CYX H 5.01 (#peak 508 #SUP 0.86 #QF 0.64)
&rst
ixpk= 508, nxpk= 0, iat= 32, 88, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 13 LEU HA 16 LEU H 3.77 (#peak 509 #SUP 0.88 #QF 0.88)
&rst
ixpk= 509, nxpk= 0, iat= 165, 220, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 10 ILE QG2 33 ASN HD22 5.21 (#peak 512 #SUP 1.00)
&rst
ixpk= 512, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 129, 130, 131,
&end
#
# 10 ILE QG2 33 ASN H 5.17 (#peak 513 #SUP 0.98 #QF 0.98)
&rst
ixpk= 513, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 129, 130, 131,
&end
#
# 10 ILE QG2 33 ASN HD21 5.21 (#peak 515 #SUP 0.99 #QF 0.99)
&rst
ixpk= 515, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 129, 130, 131,
&end
#
# 15 GLN HB2 15 GLN HE22 5.07 (#peak 516 #SUP 0.70 #QF 0.70)
&rst
ixpk= 516, nxpk= 0, iat= 207, 216, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 10 ILE HB 35 HIS HE1 5.50 (#peak 523 #SUP 0.97 #QF 0.97)
&rst
ixpk= 523, nxpk= 0, iat= 127, 389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 GLN HB3 35 HIS HD2 5.50 (#peak 525 #SUP 0.81 #QF 0.81)
&rst
ixpk= 525, nxpk= 0, iat= 368, 393, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 GLN HB2 35 HIS HD2 5.28 (#peak 526 #SUP 0.99 #QF 0.99)
&rst
ixpk= 526, nxpk= 0, iat= 367, 393, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 10 ILE HG12 35 HIS HD2 5.14 (#peak 527 #SUP 0.98 #QF 0.98)
&rst
ixpk= 527, nxpk= 0, iat= 133, 393, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 10 ILE HG13 35 HIS HD2 5.14 (#peak 528 #SUP 0.94 #QF 0.94)
&rst
ixpk= 528, nxpk= 0, iat= 134, 393, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 10 ILE QG2 35 HIS HD2 5.48 (#peak 529 #SUP 1.00)
&rst
ixpk= 529, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 129, 130, 131,
&end
#
# 52 ARG H 52 ARG HE 4.91 (#peak 530 #SUP 0.94 #QF 0.94)
&rst
ixpk= 530, nxpk= 0, iat= 628, 641, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 31 PHE QD 32 VAL HA 4.35 (#peak 531 #SUP 0.86 #QF 0.86)
&rst
ixpk= 531, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 321, 329,
&end
#
# 52 ARG HB2 52 ARG HE 4.28 (#peak 532 #SUP 0.84 #QF 0.84)
&rst
ixpk= 532, nxpk= 0, iat= 632, 641, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 18 ASN HB2 19 TYR QE 5.50 (#peak 533 #SUP 0.99 #QF 0.99)
&rst
ixpk= 533, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 278, 283,
&end
#
# 19 TYR QE 45 LEU QD2 5.50 (#peak 534 #SUP 0.82 #QF 0.82)
&rst
ixpk= 534, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 278, 283,
igr2= 534, 535, 536,
&end
#
# 2 ILE QG1 19 TYR QE 4.38 (#peak 535 #SUP 0.94 #QF 0.94)
&rst
ixpk= 535, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 21, 22,
igr2= 278, 283,
&end
#
# 33 ASN H 33 ASN HD21 4.95 (#peak 536 #SUP 0.94 #QF 0.94)
&rst
ixpk= 536, nxpk= 0, iat= 349, 358, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 38 GLY H 41 LEU HB3 5.11 (#peak 538 #SUP 0.60 #QF 0.60)
&rst
ixpk= 538, nxpk= 0, iat= 426, 466, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 39 SER H 42 VAL HB 5.50 (#peak 540 #SUP 0.79 #QF 0.79)
&rst
ixpk= 540, nxpk= 0, iat= 433, 484, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 LEU HB2 48 VAL H 5.50 (#peak 542 #SUP 0.63 #QF 0.63)
&rst
ixpk= 542, nxpk= 0, iat= 525, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 TYR QB 48 VAL H 5.44 (#peak 544 #SUP 0.99 #QF 0.99)
&rst
ixpk= 544, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 544, 545,
&end
#
# 31 PHE QB 33 ASN H 5.50 (#peak 545 #SUP 0.95 #QF 0.95)
&rst
ixpk= 545, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 317, 318,
&end
#
# 46 TYR HA 48 VAL H 4.92 (#peak 546 #SUP 0.52 #QF 0.52)
&rst
ixpk= 546, nxpk= 0, iat= 542, 580, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 47 LEU H 48 VAL HB 5.00 (#peak 548 #SUP 0.87 #QF 0.87)
&rst
ixpk= 548, nxpk= 0, iat= 561, 584, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 GLN HA 19 TYR H 5.50 (#peak 549 #SUP 0.76 #QF 0.76)
&rst
ixpk= 549, nxpk= 0, iat= 205, 268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 TYR H 20 CYX HA 5.49 (#peak 550 #SUP 0.87 #QF 0.87)
&rst
ixpk= 550, nxpk= 0, iat= 268, 291, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 44 ALA H 46 TYR QB 4.93 (#peak 553 #SUP 0.99 #QF 0.99)
&rst
ixpk= 553, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 544, 545,
&end
#
# 44 ALA H 46 TYR H 4.53 (#peak 554 #SUP 0.95 #QF 0.95)
&rst
ixpk= 554, nxpk= 0, iat= 511, 540, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 10 ILE H 11 CYX H 5.01 (#peak 555 #SUP 0.81 #QF 0.81)
&rst
ixpk= 555, nxpk= 0, iat= 123, 142, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 34 GLN H 35 HIS HD2 5.50 (#peak 556 #SUP 1.00)
&rst
ixpk= 556, nxpk= 0, iat= 363, 393, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 CYX H 41 LEU H 5.04 (#peak 557 #SUP 0.80 #QF 0.80)
&rst
ixpk= 557, nxpk= 0, iat= 416, 461, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 46 TYR QD 48 VAL H 5.50 (#peak 558 #SUP 0.95 #QF 0.95)
&rst
ixpk= 558, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 548, 557,
&end
#
# 13 LEU H 14 TYR QD 4.95 (#peak 559 #SUP 0.97 #QF 0.97)
&rst
ixpk= 559, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 190, 199,
&end
#
# 13 LEU QB 31 PHE QE 5.01 (#peak 561 #SUP 0.85 #QF 0.85)
&rst
ixpk= 561, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 167, 168,
igr2= 323, 327,
&end
#
# 31 PHE QE 44 ALA QB 4.92 (#peak 562 #SUP 0.82 #QF 0.82)
&rst
ixpk= 562, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 323, 327,
igr2= 515, 516, 517,
&end
#
# 16 LEU HG 19 TYR QD 4.84 (#peak 567 #SUP 0.88 #QF 0.61)
&rst
ixpk= 567, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 276, 285,
&end
#
# 19 TYR QD 45 LEU HB3 5.50 (#peak 567 #SUP 0.88 #QF 0.61)
&rst
ixpk= 567, nxpk= 0, iat= -1, 526, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 276, 285,
&end
#
# 16 LEU HB3 19 TYR QD 4.73 (#peak 568 #SUP 0.96 #QF 0.96)
&rst
ixpk= 568, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 276, 285,
&end
#
# 16 LEU HB2 19 TYR QD 4.73 (#peak 569 #SUP 0.60 #QF 0.60)
&rst
ixpk= 569, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 276, 285,
&end
#
# 56 TYR QD 58 PRO QD 5.50 (#peak 572 #SUP 0.43 #QF 0.43)
&rst
ixpk= 572, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 704, 713,
igr2= 732, 733,
&end
#
# 31 PHE QE 48 VAL QG1 4.81 (#peak 573 #SUP 0.90 #QF 0.90)
&rst
ixpk= 573, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 323, 327,
igr2= 586, 587, 588,
&end
#
# 31 PHE HA 31 PHE QE 4.69 (#peak 574 #SUP 0.95 #QF 0.95)
&rst
ixpk= 574, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 323, 327,
&end
#
# 13 LEU HA 31 PHE QE 5.14 (#peak 575 #SUP 0.99 #QF 0.99)
&rst
ixpk= 575, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 323, 327,
&end
#
# 31 PHE QE 32 VAL HA 5.50 (#peak 576 #SUP 0.77 #QF 0.52)
&rst
ixpk= 576, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 323, 327,
&end
#
# 31 PHE QE 44 ALA HA 5.50 (#peak 576 #SUP 0.77 #QF 0.52)
&rst
ixpk= 576, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 323, 327,
&end
#
# 31 PHE QE 32 VAL H 5.50 (#peak 577 #SUP 0.97 #QF 0.94)
&rst
ixpk= 577, nxpk= 0, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 323, 327,
&end
#
# 31 PHE QE 33 ASN H 5.50 (#peak 578 #SUP 0.88 #QF 0.88)
&rst
ixpk= 578, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 323, 327,
&end
#
# 31 PHE QD 48 VAL QG1 5.50 (#peak 579 #SUP 0.94 #QF 0.94)
&rst
ixpk= 579, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 321, 329,
igr2= 586, 587, 588,
&end
#
# 13 LEU QB 31 PHE QD 4.70 (#peak 580 #SUP 0.81 #QF 0.81)
&rst
ixpk= 580, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 167, 168,
igr2= 321, 329,
&end
#
# 45 LEU QD1 46 TYR QD 5.18 (#peak 582 #SUP 0.86 #QF 0.86)
&rst
ixpk= 582, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 530, 531, 532,
igr2= 548, 557,
&end
#
# 46 TYR QD 47 LEU HB2 5.01 (#peak 583 #SUP 1.00)
&rst
ixpk= 583, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 548, 557,
&end
#
# 37 CYX H 41 LEU HA 4.83 (#peak 585 #SUP 0.67 #QF 0.67)
&rst
ixpk= 585, nxpk= 0, iat= 416, 463, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 45 LEU H 45 LEU HB3 3.14 (#peak 586 #SUP 0.95 #QF 0.95)
&rst
ixpk= 586, nxpk= 0, iat= 521, 526, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 45 LEU H 45 LEU HG 3.25 (#peak 587 #SUP 0.95 #QF 0.95)
&rst
ixpk= 587, nxpk= 0, iat= 521, 528, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 45 LEU H 48 VAL QG1 4.70 (#peak 589 #SUP 0.98 #QF 0.98)
&rst
ixpk= 589, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 586, 587, 588,
&end
#
# 13 LEU HA 15 GLN H 4.69 (#peak 591 #SUP 0.96 #QF 0.96)
&rst
ixpk= 591, nxpk= 0, iat= 165, 203, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 15 GLN HB3 15 GLN HE22 3.80 (#peak 593 #SUP 0.57 #QF 0.57)
&rst
ixpk= 593, nxpk= 0, iat= 208, 216, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 12 SER HB2 14 TYR QE 5.14 (#peak 596 #SUP 0.98 #QF 0.98)
&rst
ixpk= 596, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 192, 197,
&end
#
# 53 GLY QA 55 PHE H 4.46 (#peak 600 #SUP 0.88 #QF 0.88)
&rst
ixpk= 600, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 654, 655,
&end
#
# 60 THR H 60 THR QG2 4.85 (#peak 601 #SUP 0.94 #QF 0.94)
&rst
ixpk= 601, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 773, 774, 775,
&end
#
# 59 LYS H 59 LYS QG 4.61 (#peak 602 #SUP 0.88 #QF 0.88)
&rst
ixpk= 602, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 752, 753,
&end
#
# 52 ARG QD 53 GLY H 4.83 (#peak 603 #SUP 0.87 #QF 0.87)
&rst
ixpk= 603, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 638, 639,
&end
#
# 45 LEU H 46 TYR QD 5.50 (#peak 604 #SUP 0.22 #QF 0.22)
&rst
ixpk= 604, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 548, 557,
&end
#
# 51 GLU H 51 GLU HB2 3.82 (#peak 608 #SUP 0.87 #QF 0.87)
&rst
ixpk= 608, nxpk= 0, iat= 613, 617, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 54 HIS HA 54 HIS HD2 4.31 (#peak 610 #SUP 0.87 #QF 0.87)
&rst
ixpk= 610, nxpk= 0, iat= 661, 672, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 51 GLU H 51 GLU HB3 3.82 (#peak 613 #SUP 0.97 #QF 0.94)
&rst
ixpk= 613, nxpk= 0, iat= 613, 618, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 47 LEU HB2 49 CYX H 5.39 (#peak 616 #SUP 0.94 #QF 0.94)
&rst
ixpk= 616, nxpk= 0, iat= 565, 596, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 47 LEU H 49 CYX H 4.68 (#peak 619 #SUP 0.95 #QF 0.95)
&rst
ixpk= 619, nxpk= 0, iat= 561, 596, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 46 TYR H 49 CYX H 5.12 (#peak 620 #SUP 0.96 #QF 0.96)
&rst
ixpk= 620, nxpk= 0, iat= 540, 596, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 44 ALA QB 46 TYR H 4.62 (#peak 621 #SUP 0.90 #QF 0.90)
&rst
ixpk= 621, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 515, 516, 517,
&end
#
# 45 LEU QD2 46 TYR H 4.55 (#peak 622 #SUP 0.93 #QF 0.93)
&rst
ixpk= 622, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 534, 535, 536,
&end
#
# 16 LEU H 19 TYR QE 4.84 (#peak 623 #SUP 0.30 #QF 0.30)
&rst
ixpk= 623, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 278, 283,
&end
#
# 43 GLU HA 46 TYR QE 4.86 (#peak 624 #SUP 0.90 #QF 0.26)
&rst
ixpk= 624, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 550, 555,
&end
#
# 46 TYR QE 47 LEU HA 5.04 (#peak 624 #SUP 0.90 #QF 0.26)
&rst
ixpk= 624, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 550, 555,
&end
#
# 43 GLU H 43 GLU HB2 3.59 (#peak 625 #SUP 0.94 #QF 0.94)
&rst
ixpk= 625, nxpk= 0, iat= 496, 500, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 43 GLU H 43 GLU HB3 3.59 (#peak 626 #SUP 0.98 #QF 0.98)
&rst
ixpk= 626, nxpk= 0, iat= 496, 501, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 43 GLU H 46 TYR QB 4.68 (#peak 627 #SUP 0.97 #QF 0.97)
&rst
ixpk= 627, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 544, 545,
&end
#
# 33 ASN QB 35 HIS H 5.50 (#peak 628 #SUP 0.91 #QF 0.91)
&rst
ixpk= 628, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 353, 354,
&end
#
# 13 LEU H 14 TYR HB2 5.12 (#peak 629 #SUP 0.99 #QF 0.99)
&rst
ixpk= 629, nxpk= 0, iat= 163, 186, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 16 LEU H 16 LEU QD2 4.47 (#peak 631 #SUP 0.86 #QF 0.86)
&rst
ixpk= 631, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 233, 234, 235,
&end
#
# 16 LEU H 16 LEU QD1 4.47 (#peak 632 #SUP 0.92 #QF 0.92)
&rst
ixpk= 632, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 229, 230, 231,
&end
#
# 16 LEU H 16 LEU HG 3.58 (#peak 633 #SUP 0.89 #QF 0.89)
&rst
ixpk= 633, nxpk= 0, iat= 220, 227, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 16 LEU H 16 LEU HB3 3.56 (#peak 634 #SUP 0.60 #QF 0.60)
&rst
ixpk= 634, nxpk= 0, iat= 220, 225, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 15 GLN HG2 16 LEU H 5.03 (#peak 635 #SUP 0.91 #QF 0.91)
&rst
ixpk= 635, nxpk= 0, iat= 210, 220, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 1 GLY QA 19 TYR QD 5.50 (#peak 636 #SUP 0.88 #QF 0.88)
&rst
ixpk= 636, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 6, 7,
igr2= 276, 285,
&end
#
# 18 ASN H 19 TYR HB2 5.08 (#peak 639 #SUP 0.94 #QF 0.94)
&rst
ixpk= 639, nxpk= 0, iat= 254, 272, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 40 HIS HA 40 HIS HD2 3.55 (#peak 640 #SUP 0.86 #QF 0.86)
&rst
ixpk= 640, nxpk= 0, iat= 446, 457, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 8 THR HB 9 SER H 4.25 (#peak 645 #SUP 0.99 #QF 0.99)
&rst
ixpk= 645, nxpk= 0, iat= 102, 112, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 47 LEU QQD 50 GLY H 5.25 (#peak 646 #SUP 0.64 #QF 0.64)
&rst
ixpk= 646, nxpk= 0, iat= 567, 606, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95, &end
#
# 54 HIS HD2 55 PHE H 5.40 (#peak 648 #SUP 0.93 #QF 0.93)
&rst
ixpk= 648, nxpk= 0, iat= 672, 676, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 2 ILE H 2 ILE HB 3.74 (#peak 650 #SUP 0.99 #QF 0.99)
&rst
ixpk= 650, nxpk= 0, iat= 11, 15, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 2 ILE H 2 ILE QG1 4.10 (#peak 651 #SUP 0.94 #QF 0.94)
&rst
ixpk= 651, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 21, 22,
&end
#
# 36 LEU QD1 37 CYX H 5.10 (#peak 652 #SUP 0.91 #QF 0.91)
&rst
ixpk= 652, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 406, 407, 408,
&end
#
# 18 ASN H 18 ASN HD22 4.70 (#peak 653 #SUP 0.92 #QF 0.92)
&rst
ixpk= 653, nxpk= 0, iat= 254, 264, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 15 GLN H 16 LEU HG 5.50 (#peak 655 #SUP 0.81 #QF 0.81)
&rst
ixpk= 655, nxpk= 0, iat= 203, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 2 ILE H 3 VAL H 3.31 (#peak 659 #SUP 0.98 #QF 0.98)
&rst
ixpk= 659, nxpk= 0, iat= 11, 30, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 4 GLU H 6 CYX H 4.60 (#peak 660 #SUP 0.72 #QF 0.59)
&rst
ixpk= 660, nxpk= 0, iat= 46, 78, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 4 GLU H 7 CYX H 5.18 (#peak 660 #SUP 0.72 #QF 0.59)
&rst
ixpk= 660, nxpk= 0, iat= 46, 88, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 48 VAL H 49 CYX H 3.12 (#peak 661 #SUP 1.00)
&rst
ixpk= 661, nxpk= 0, iat= 580, 596, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 34 GLN H 35 HIS H 4.28 (#peak 662 #SUP 0.95 #QF 0.95)
&rst
ixpk= 662, nxpk= 0, iat= 363, 380, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 32 VAL H 33 ASN H 4.54 (#peak 663 #SUP 0.94 #QF 0.94)
&rst
ixpk= 663, nxpk= 0, iat= 333, 349, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 2 ILE QD1 6 CYX H 5.50 (#peak 666 #SUP 0.85 #QF 0.85)
&rst
ixpk= 666, nxpk= 0, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 24, 25, 26,
&end
#
# 4 GLU HA 8 THR HB 4.36 (#peak 2 #SUP 0.80 #QF 0.80)
&rst
ixpk= 2, nxpk= 0, iat= 48, 102, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 7 CYX HA 35 HIS HB3 4.53 (#peak 8 #SUP 0.50 #QF 0.50)
&rst
ixpk= 8, nxpk= 0, iat= 90, 385, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 57 THR HA 58 PRO QD 3.56 (#peak 11 #SUP 0.57 #QF 0.57)
&rst
ixpk= 11, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 732, 733,
&end
#
# 43 GLU HA 46 TYR QB 3.37 (#peak 36 #SUP 0.89 #QF 0.89)
&rst
ixpk= 36, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 544, 545,
&end
#
# 4 GLU HA 4 GLU QG 4.20 (#peak 46 #SUP 0.91 #QF 0.91)
&rst
ixpk= 46, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 53, 54,
&end
#
# 17 GLU HA 17 GLU HG2 4.11 (#peak 47 #SUP 0.99 #QF 0.99)
&rst
ixpk= 47, nxpk= 0, iat= 241, 246, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 17 GLU HA 17 GLU HG3 4.11 (#peak 48 #SUP 0.97 #QF 0.97)
&rst
ixpk= 48, nxpk= 0, iat= 241, 247, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 43 GLU HA 43 GLU QG 3.72 (#peak 49 #SUP 1.00)
&rst
ixpk= 49, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 503, 504,
&end
#
# 45 LEU HA 48 VAL HB 4.20 (#peak 67 #SUP 0.99 #QF 0.99)
&rst
ixpk= 67, nxpk= 0, iat= 523, 584, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 39 SER HA 42 VAL HB 4.10 (#peak 69 #SUP 0.80 #QF 0.80)
&rst
ixpk= 69, nxpk= 0, iat= 435, 484, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 2 ILE HA 5 GLN HB3 4.49 (#peak 74 #SUP 0.69 #QF 0.69)
&rst
ixpk= 74, nxpk= 0, iat= 13, 66, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 13 LEU HA 16 LEU HB2 4.68 (#peak 75 #SUP 0.71 #QF 0.71)
&rst
ixpk= 75, nxpk= 0, iat= 165, 224, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 16 LEU HA 16 LEU HG 4.24 (#peak 89 #SUP 0.86 #QF 0.86)
&rst
ixpk= 89, nxpk= 0, iat= 222, 227, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 47 LEU HA 47 LEU HG 4.15 (#peak 91 #SUP 0.98 #QF 0.62)
&rst
ixpk= 91, nxpk= 0, iat= 563, 568, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 36 LEU HB2 41 LEU HA 4.44 (#peak 93 #SUP 0.96 #QF 0.96)
&rst
ixpk= 93, nxpk= 0, iat= 401, 463, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 45 LEU HA 45 LEU HG 4.24 (#peak 94 #SUP 0.98 #QF 0.98)
&rst
ixpk= 94, nxpk= 0, iat= 523, 528, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 13 LEU HA 16 LEU HB3 4.68 (#peak 96 #SUP 0.96 #QF 0.93)
&rst
ixpk= 96, nxpk= 0, iat= 165, 225, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 41 LEU HA 44 ALA QB 3.81 (#peak 98 #SUP 0.74 #QF 0.74)
&rst
ixpk= 98, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 515, 516, 517,
&end
#
# 8 THR HA 8 THR QG2 3.15 (#peak 103 #SUP 0.97 #QF 0.97)
&rst
ixpk= 103, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 104, 105, 106,
&end
#
# 4 GLU HA 8 THR QG2 4.48 (#peak 107 #SUP 0.98 #QF 0.98)
&rst
ixpk= 107, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 104, 105, 106,
&end
#
# 57 THR HA 57 THR QG2 3.68 (#peak 108 #SUP 1.00)
&rst
ixpk= 108, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 723, 724, 725,
&end
#
# 12 SER HA 13 LEU QB 4.91 (#peak 109 #SUP 0.98 #QF 0.98)
&rst
ixpk= 109, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 167, 168,
&end
#
# 36 LEU HA 36 LEU QD1 4.06 (#peak 111 #SUP 0.98 #QF 0.98)
&rst
ixpk= 111, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 406, 407, 408,
&end
#
# 10 ILE QG2 33 ASN HA 4.46 (#peak 112 #SUP 1.00)
&rst
ixpk= 112, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 129, 130, 131,
&end
#
# 10 ILE QG2 34 GLN HA 4.69 (#peak 113 #SUP 0.96 #QF 0.94)
&rst
ixpk= 113, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 129, 130, 131,
&end
#
# 10 ILE QG2 35 HIS HA 5.02 (#peak 113 #SUP 0.96 #QF 0.94)
&rst
ixpk= 113, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 129, 130, 131,
&end
#
# 10 ILE QD1 34 GLN HA 4.05 (#peak 114 #SUP 0.95 #QF 0.95)
&rst
ixpk= 114, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 136, 137, 138,
&end
#
# 10 ILE HA 10 ILE QG2 3.74 (#peak 115 #SUP 1.00)
&rst
ixpk= 115, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 129, 130, 131,
&end
#
# 10 ILE HA 10 ILE QD1 4.18 (#peak 116 #SUP 1.00)
&rst
ixpk= 116, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 136, 137, 138,
&end
#
# 36 LEU HA 36 LEU QD2 4.06 (#peak 117 #SUP 0.88 #QF 0.88)
&rst
ixpk= 117, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 410, 411, 412,
&end
#
# 48 VAL QG2 49 CYX HA 4.42 (#peak 118 #SUP 0.96 #QF 0.96)
&rst
ixpk= 118, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 590, 591, 592,
&end
#
# 45 LEU HA 48 VAL QG1 3.66 (#peak 119 #SUP 0.98 #QF 0.98)
&rst
ixpk= 119, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 586, 587, 588,
&end
#
# 48 VAL HA 48 VAL QG1 3.34 (#peak 120 #SUP 1.00)
&rst
ixpk= 120, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 586, 587, 588,
&end
#
# 6 CYX HB2 41 LEU QD1 4.68 (#peak 122 #SUP 0.80 #QF 0.80)
&rst
ixpk= 122, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 470, 471, 472,
&end
#
# 6 CYX HB2 41 LEU QD2 4.68 (#peak 123 #SUP 0.78 #QF 0.61)
&rst
ixpk= 123, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 474, 475, 476,
&end
#
# 42 VAL HA 42 VAL QG1 3.33 (#peak 125 #SUP 0.99 #QF 0.99)
&rst
ixpk= 125, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 486, 487, 488,
&end
#
# 42 VAL HA 42 VAL QG2 3.33 (#peak 126 #SUP 0.98 #QF 0.98)
&rst
ixpk= 126, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 490, 491, 492,
&end
#
# 42 VAL HA 45 LEU QD1 5.39 (#peak 127 #SUP 1.00 #QF 0.96)
&rst
ixpk= 127, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 530, 531, 532,
&end
#
# 42 VAL HA 45 LEU QD2 4.01 (#peak 128 #SUP 0.95 #QF 0.95)
&rst
ixpk= 128, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 534, 535, 536,
&end
#
# 3 VAL HA 3 VAL QG1 3.68 (#peak 129 #SUP 1.00)
&rst
ixpk= 129, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 36, 37, 38,
&end
#
# 3 VAL HA 3 VAL QG2 3.68 (#peak 130 #SUP 0.99 #QF 0.99)
&rst
ixpk= 130, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 40, 41, 42,
&end
#
# 3 VAL HA 41 LEU QD1 5.50 (#peak 131 #SUP 0.76 #QF 0.76)
&rst
ixpk= 131, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 470, 471, 472,
&end
#
# 2 ILE QG2 3 VAL HA 4.99 (#peak 132 #SUP 1.00 #QF 0.98)
&rst
ixpk= 132, nxpk= 0, iat= -1, 32, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 17, 18, 19,
&end
#
# 3 VAL HA 41 LEU QD2 5.50 (#peak 132 #SUP 1.00 #QF 0.98)
&rst
ixpk= 132, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 474, 475, 476,
&end
#
# 2 ILE QD1 19 TYR HB3 5.24 (#peak 134 #SUP 0.92 #QF 0.23)
&rst
ixpk= 134, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 24, 25, 26,
&end
#
# 2 ILE HA 2 ILE QD1 4.82 (#peak 135 #SUP 0.96 #QF 0.96)
&rst
ixpk= 135, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 24, 25, 26,
&end
#
# 13 LEU HA 13 LEU QD1 4.05 (#peak 136 #SUP 0.96 #QF 0.96)
&rst
ixpk= 136, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 172, 173, 174,
&end
#
# 13 LEU HA 13 LEU QD2 4.05 (#peak 137 #SUP 0.98 #QF 0.98)
&rst
ixpk= 137, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 176, 177, 178,
&end
#
# 45 LEU HA 45 LEU QD2 4.12 (#peak 138 #SUP 0.97 #QF 0.97)
&rst
ixpk= 138, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 534, 535, 536,
&end
#
# 31 PHE HA 32 VAL QQG 4.49 (#peak 142 #SUP 0.98 #QF 0.98)
&rst
ixpk= 142, nxpk= 0, iat= 315, 336, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, &end
#
# 16 LEU HA 16 LEU QD2 4.23 (#peak 143 #SUP 0.98 #QF 0.98)
&rst
ixpk= 143, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 233, 234, 235,
&end
#
# 45 LEU QD1 46 TYR HA 4.41 (#peak 144 #SUP 0.53 #QF 0.53)
&rst
ixpk= 144, nxpk= 0, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 530, 531, 532,
&end
#
# 32 VAL HA 32 VAL QQG 3.39 (#peak 145 #SUP 0.98 #QF 0.98)
&rst
ixpk= 145, nxpk= 0, iat= 335, 336, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 16 LEU HA 16 LEU QD1 4.23 (#peak 147 #SUP 0.98 #QF 0.98)
&rst
ixpk= 147, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 229, 230, 231,
&end
#
# 17 GLU HA 48 VAL QG1 4.27 (#peak 148 #SUP 0.91 #QF 0.91)
&rst
ixpk= 148, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 586, 587, 588,
&end
#
# 2 ILE QG2 19 TYR HB2 5.44 (#peak 149 #SUP 1.00 #QF 0.84)
&rst
ixpk= 149, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 17, 18, 19,
&end
#
# 19 TYR HB2 45 LEU QD1 5.50 (#peak 149 #SUP 1.00 #QF 0.84)
&rst
ixpk= 149, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 530, 531, 532,
&end
#
# 19 TYR HB2 45 LEU QD2 4.43 (#peak 150 #SUP 0.96 #QF 0.96)
&rst
ixpk= 150, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 534, 535, 536,
&end
#
# 2 ILE QD1 19 TYR HB2 4.49 (#peak 151 #SUP 0.99 #QF 0.99)
&rst
ixpk= 151, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 24, 25, 26,
&end
#
# 6 CYX HB3 41 LEU QD1 4.68 (#peak 152 #SUP 0.96 #QF 0.96)
&rst
ixpk= 152, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 470, 471, 472,
&end
#
# 6 CYX HB3 41 LEU QD2 4.68 (#peak 153 #SUP 0.94 #QF 0.90)
&rst
ixpk= 153, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 474, 475, 476,
&end
#
# 10 ILE QD1 33 ASN QB 4.81 (#peak 154 #SUP 0.98 #QF 0.98)
&rst
ixpk= 154, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 136, 137, 138,
igr2= 353, 354,
&end
#
# 10 ILE QG2 33 ASN QB 3.71 (#peak 155 #SUP 0.99 #QF 0.99)
&rst
ixpk= 155, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 129, 130, 131,
igr2= 353, 354,
&end
#
# 42 VAL HA 45 LEU HB3 4.67 (#peak 161 #SUP 0.94 #QF 0.94)
&rst
ixpk= 161, nxpk= 0, iat= 482, 526, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 42 VAL HA 45 LEU HB2 5.50 (#peak 162 #SUP 0.99 #QF 0.99)
&rst
ixpk= 162, nxpk= 0, iat= 482, 525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 LEU HB2 47 LEU QQD 3.60 (#peak 177 #SUP 0.96 #QF 0.85)
&rst
ixpk= 177, nxpk= 0, iat= 565, 567, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 10 ILE QG2 34 GLN HB2 5.50 (#peak 182 #SUP 0.73 #QF 0.33)
&rst
ixpk= 182, nxpk= 0, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 129, 130, 131,
&end
#
# 10 ILE QD1 34 GLN HB2 5.50 (#peak 183 #SUP 0.95 #QF 0.95)
&rst
ixpk= 183, nxpk= 0, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 136, 137, 138,
&end
#
# 10 ILE HB 10 ILE QD1 3.66 (#peak 185 #SUP 1.00)
&rst
ixpk= 185, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 136, 137, 138,
&end
#
# 16 LEU HB2 48 VAL QG1 4.60 (#peak 189 #SUP 0.91 #QF 0.72)
&rst
ixpk= 189, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 586, 587, 588,
&end
#
# 36 LEU QD1 44 ALA QB 3.41 (#peak 197 #SUP 0.77 #QF 0.21)
&rst
ixpk= 197, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 406, 407, 408,
igr2= 515, 516, 517,
&end
#
# 47 LEU HB3 47 LEU QQD 3.60 (#peak 198 #SUP 0.92 #QF 0.92)
&rst
ixpk= 198, nxpk= 0, iat= 566, 567, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 10 ILE QG2 10 ILE QD1 3.34 (#peak 201 #SUP 0.98 #QF 0.98)
&rst
ixpk= 201, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 129, 130, 131,
igr2= 136, 137, 138,
&end
#
# 2 ILE HB 2 ILE QD1 3.69 (#peak 205 #SUP 0.80 #QF 0.80)
&rst
ixpk= 205, nxpk= 0, iat= 15, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 24, 25, 26,
&end
#
# 36 LEU QD2 44 ALA QB 3.41 (#peak 234 #SUP 0.80 #QF 0.80)
&rst
ixpk= 234, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 410, 411, 412,
igr2= 515, 516, 517,
&end
#
# 17 GLU HG3 48 VAL QG2 4.20 (#peak 238 #SUP 0.92 #QF 0.92)
&rst
ixpk= 238, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 590, 591, 592,
&end
#
# 57 THR QG2 58 PRO QD 4.36 (#peak 244 #SUP 0.70 #QF 0.70)
&rst
ixpk= 244, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 723, 724, 725,
igr2= 732, 733,
&end
#
# 7 CYX HA 35 HIS HB2 5.50 (#peak 249 #SUP 0.91 #QF 0.91)
&rst
ixpk= 249, nxpk= 0, iat= 90, 384, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 SER HA 13 LEU HA 4.65 (#peak 250 #SUP 1.00)
&rst
ixpk= 250, nxpk= 0, iat= 154, 165, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 40 HIS HA 43 GLU QG 4.88 (#peak 254 #SUP 0.95 #QF 0.95)
&rst
ixpk= 254, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 503, 504,
&end
#
# 13 LEU QB 14 TYR HA 5.04 (#peak 256 #SUP 0.99 #QF 0.99)
&rst
ixpk= 256, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 167, 168,
&end
#
# 48 VAL HA 48 VAL QG2 3.20 (#peak 257 #SUP 1.00)
&rst
ixpk= 257, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 590, 591, 592,
&end
#
# 17 GLU HG3 48 VAL QG1 4.88 (#peak 260 #SUP 0.89 #QF 0.89)
&rst
ixpk= 260, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 586, 587, 588,
&end
#
# 17 GLU HG2 48 VAL QG1 4.88 (#peak 261 #SUP 0.96 #QF 0.96)
&rst
ixpk= 261, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 586, 587, 588,
&end
#
# 17 GLU HG2 48 VAL QG2 4.20 (#peak 264 #SUP 0.91 #QF 0.91)
&rst
ixpk= 264, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 590, 591, 592,
&end
#
# 49 CYX HB2 50 GLY QA 5.39 (#peak 265 #SUP 0.83 #QF 0.83)
&rst
ixpk= 265, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 608, 609,
&end
#
# 49 CYX HB3 50 GLY QA 5.39 (#peak 267 #SUP 0.76 #QF 0.76)
&rst
ixpk= 267, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 608, 609,
&end
#
# 13 LEU HA 16 LEU HG 4.84 (#peak 268 #SUP 0.91 #QF 0.91)
&rst
ixpk= 268, nxpk= 0, iat= 165, 227, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 32 VAL HA 33 ASN HA 5.28 (#peak 269 #SUP 0.94 #QF 0.92)
&rst
ixpk= 269, nxpk= 0, iat= 335, 351, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 17 GLU HA 49 CYX HA 5.50 (#peak 269 #SUP 0.94 #QF 0.92)
&rst
ixpk= 269, nxpk= 0, iat= 241, 598, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 VAL HB 33 ASN HA 5.50 (#peak 270 #SUP 0.84 #QF 0.84)
&rst
ixpk= 270, nxpk= 0, iat= 337, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 VAL HA 33 ASN QB 4.73 (#peak 272 #SUP 0.99 #QF 0.99)
&rst
ixpk= 272, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 353, 354,
&end
#
# 16 LEU HB3 48 VAL QG1 4.60 (#peak 274 #SUP 0.84 #QF 0.84)
&rst
ixpk= 274, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 586, 587, 588,
&end
#
# 45 LEU HB3 48 VAL QG1 4.28 (#peak 275 #SUP 0.68 #QF 0.68)
&rst
ixpk= 275, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 586, 587, 588,
&end
#
# 13 LEU QD1 48 VAL QG1 5.38 (#peak 277 #SUP 0.67 #QF 0.36)
&rst
ixpk= 277, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 172, 173, 174,
igr2= 586, 587, 588,
&end
#
# 45 LEU QD1 48 VAL QG1 5.01 (#peak 277 #SUP 0.67 #QF 0.36)
&rst
ixpk= 277, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 530, 531, 532,
igr2= 586, 587, 588,
&end
#
# 47 LEU HA 47 LEU QQD 3.22 (#peak 280 #SUP 0.57 #QF 0.57)
&rst
ixpk= 280, nxpk= 0, iat= 563, 567, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 46 TYR QB 47 LEU HG 5.11 (#peak 282 #SUP 0.99 #QF 0.99)
&rst
ixpk= 282, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 544, 545,
&end
#
# 45 LEU HA 48 VAL QG2 4.54 (#peak 283 #SUP 0.93 #QF 0.93)
&rst
ixpk= 283, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 590, 591, 592,
&end
#
# 16 LEU QD2 45 LEU HA 4.46 (#peak 284 #SUP 0.86 #QF 0.86)
&rst
ixpk= 284, nxpk= 0, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 233, 234, 235,
&end
#
# 16 LEU QD1 45 LEU HA 4.46 (#peak 285 #SUP 0.81 #QF 0.81)
&rst
ixpk= 285, nxpk= 0, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 229, 230, 231,
&end
#
# 41 LEU HA 41 LEU QD2 4.13 (#peak 286 #SUP 0.83 #QF 0.83)
&rst
ixpk= 286, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 474, 475, 476,
&end
#
# 1 GLY QA 2 ILE QG2 4.03 (#peak 289 #SUP 1.00 #QF 0.72)
&rst
ixpk= 289, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 6, 7,
igr2= 17, 18, 19,
&end
#
# 45 LEU HA 45 LEU QD1 4.31 (#peak 289 #SUP 1.00 #QF 0.72)
&rst
ixpk= 289, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 530, 531, 532,
&end
#
# 45 LEU HB2 45 LEU QD2 3.81 (#peak 290 #SUP 1.00)
&rst
ixpk= 290, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 534, 535, 536,
&end
#
# 45 LEU HB2 45 LEU QD1 3.66 (#peak 291 #SUP 0.99 #QF 0.99)
&rst
ixpk= 291, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 530, 531, 532,
&end
#
# 45 LEU HB3 45 LEU QD2 3.61 (#peak 292 #SUP 0.98 #QF 0.98)
&rst
ixpk= 292, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 534, 535, 536,
&end
#
# 45 LEU HB3 45 LEU QD1 4.20 (#peak 295 #SUP 1.00 #QF 0.55)
&rst
ixpk= 295, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 530, 531, 532,
&end
#
# 20 CYX HA 45 LEU QD1 4.78 (#peak 297 #SUP 0.65 #QF 0.65)
&rst
ixpk= 297, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 530, 531, 532,
&end
#
# 20 CYX HA 45 LEU QD2 5.50 (#peak 298 #SUP 0.92 #QF 0.92)
&rst
ixpk= 298, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 534, 535, 536,
&end
#
# 48 VAL QG1 49 CYX HA 4.83 (#peak 299 #SUP 0.94 #QF 0.94)
&rst
ixpk= 299, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 586, 587, 588,
&end
#
# 13 LEU QD2 48 VAL QG1 5.38 (#peak 301 #SUP 0.77 #QF 0.35)
&rst
ixpk= 301, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 176, 177, 178,
igr2= 586, 587, 588,
&end
#
# 45 LEU QD2 48 VAL QG1 5.50 (#peak 301 #SUP 0.77 #QF 0.35)
&rst
ixpk= 301, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 534, 535, 536,
igr2= 586, 587, 588,
&end
#
# 44 ALA QB 48 VAL QG1 4.46 (#peak 302 #SUP 0.96 #QF 0.96)
&rst
ixpk= 302, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 515, 516, 517,
igr2= 586, 587, 588,
&end
#
# 2 ILE QD1 41 LEU HG 4.93 (#peak 303 #SUP 0.94 #QF 0.94)
&rst
ixpk= 303, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 24, 25, 26,
&end
#
# 2 ILE QG1 41 LEU HG 5.25 (#peak 304 #SUP 0.94 #QF 0.87)
&rst
ixpk= 304, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 21, 22,
&end
#
# 10 ILE QG2 34 GLN HB3 5.50 (#peak 306 #SUP 0.89 #QF 0.89)
&rst
ixpk= 306, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 129, 130, 131,
&end
#
# 32 VAL QQG 34 GLN HB3 4.80 (#peak 307 #SUP 0.56 #QF 0.56)
&rst
ixpk= 307, nxpk= 0, iat= 336, 368, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 4 GLU QB 8 THR QG2 4.93 (#peak 308 #SUP 0.94 #QF 0.94)
&rst
ixpk= 308, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 50, 51,
igr2= 104, 105, 106,
&end
#
# 43 GLU HB3 44 ALA QB 5.19 (#peak 309 #SUP 0.97 #QF 0.97)
&rst
ixpk= 309, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 515, 516, 517,
&end
#
# 43 GLU HB2 44 ALA QB 5.19 (#peak 310 #SUP 0.98 #QF 0.91)
&rst
ixpk= 310, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 515, 516, 517,
&end
#
# 44 ALA QB 48 VAL HB 5.50 (#peak 310 #SUP 0.98 #QF 0.91)
&rst
ixpk= 310, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 515, 516, 517,
&end
#
# 2 ILE QD1 16 LEU HA 5.06 (#peak 313 #SUP 0.99 #QF 0.99)
&rst
ixpk= 313, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 24, 25, 26,
&end
#
# 10 ILE QD1 34 GLN HB3 5.21 (#peak 314 #SUP 0.82 #QF 0.82)
&rst
ixpk= 314, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 136, 137, 138,
&end
#
# 32 VAL QQG 33 ASN QB 5.02 (#peak 321 #SUP 0.94 #QF 0.94)
&rst
ixpk= 321, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr2= 353, 354,
&end
#
# 41 LEU HA 41 LEU QD1 4.13 (#peak 324 #SUP 0.95 #QF 0.95)
&rst
ixpk= 324, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 470, 471, 472,
&end
#
# 39 SER HA 42 VAL HA 5.50 (#peak 326 #SUP 0.47 #QF 0.47)
&rst
ixpk= 326, nxpk= 0, iat= 435, 482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 GLU HA 48 VAL QG2 4.65 (#peak 334 #SUP 0.92 #QF 0.92)
&rst
ixpk= 334, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 590, 591, 592,
&end
#
# 36 LEU HB3 41 LEU HA 4.44 (#peak 335 #SUP 0.92 #QF 0.92)
&rst
ixpk= 335, nxpk= 0, iat= 402, 463, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 2 ILE QG2 2 ILE QG1 4.05 (#peak 337 #SUP 0.99 #QF 0.92)
&rst
ixpk= 337, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 17, 18, 19,
igr2= 21, 22,
&end
#
# 2 ILE HA 5 GLN HB2 4.49 (#peak 339 #SUP 0.85 #QF 0.81)
&rst
ixpk= 339, nxpk= 0, iat= 13, 65, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 2 ILE QG2 2 ILE QD1 3.80 (#peak 343 #SUP 0.95 #QF 0.80)
&rst
ixpk= 343, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 17, 18, 19,
igr2= 24, 25, 26,
&end
#
# 2 ILE QD1 41 LEU QD2 5.08 (#peak 343 #SUP 0.95 #QF 0.80)
&rst
ixpk= 343, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 24, 25, 26,
igr2= 474, 475, 476,
&end
#
# 2 ILE QD1 41 LEU QD1 5.08 (#peak 345 #SUP 1.00 #QF 0.81)
&rst
ixpk= 345, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 24, 25, 26,
igr2= 470, 471, 472,
&end
#
# 36 LEU HA 44 ALA QB 5.50 (#peak 347 #SUP 0.97 #QF 0.75)
&rst
ixpk= 347, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 515, 516, 517,
&end
#
# 40 HIS HA 44 ALA QB 5.50 (#peak 347 #SUP 0.97 #QF 0.75)
&rst
ixpk= 347, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 515, 516, 517,
&end
#
# 2 ILE H 3 VAL QQG 4.38 (#peak 283)
&rst
ixpk= 283, nxpk= 0, iat= 11, 33, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, &end
#
# 2 ILE HA 5 GLN QB 3.84 (#peak 74)
&rst
ixpk= 74, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 65, 66,
&end
#
# 2 ILE QG2 3 VAL QQG 3.60 (#peak 296)
&rst
ixpk= 296, nxpk= 0, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 17, 18, 19,
&end
#
# 2 ILE QG1 41 LEU QQD 4.34 (#peak 337)
&rst
ixpk= 337, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 21, 22,
&end
#
# 2 ILE QD1 6 CYX QB 4.95 (#peak 134)
&rst
ixpk= 134, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 24, 25, 26,
igr2= 82, 83,
&end
#
# 2 ILE QD1 16 LEU QB 5.34 (#peak 182)
&rst
ixpk= 182, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 24, 25, 26,
igr2= 224, 225,
&end
#
# 2 ILE QD1 16 LEU QQD 4.73 (#peak 344)
&rst
ixpk= 344, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
igr1= 24, 25, 26,
&end
#
# 2 ILE QD1 41 LEU QB 5.34 (#peak 346)
&rst
ixpk= 346, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 24, 25, 26,
igr2= 465, 466,
&end
#
# 2 ILE QD1 41 LEU QQD 3.92 (#peak 343)
&rst
ixpk= 343, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 24, 25, 26,
&end
#
# 3 VAL H 3 VAL QQG 2.89 (#peak 314)
&rst
ixpk= 314, nxpk= 0, iat= 30, 33, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 3 VAL H 41 LEU QQD 4.20 (#peak 566)
&rst
ixpk= 566, nxpk= 0, iat= 30, 467, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 3 VAL HA 41 LEU QQD 4.09 (#peak 131)
&rst
ixpk= 131, nxpk= 0, iat= 32, 467, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, &end
#
# 3 VAL QQG 4 GLU H 2.98 (#peak 314)
&rst
ixpk= 314, nxpk= 0, iat= 33, 46, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 3 VAL QQG 6 CYX H 5.44 (#peak 322)
&rst
ixpk= 322, nxpk= 0, iat= 33, 78, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 3 VAL QQG 7 CYX H 4.39 (#peak 319)
&rst
ixpk= 319, nxpk= 0, iat= 33, 88, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, &end
#
# 3 VAL QQG 7 CYX QB 3.92 (#peak 121)
&rst
ixpk= 121, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2= 92, 93,
&end
#
# 5 GLN H 5 GLN QG 4.53 (#peak 432)
&rst
ixpk= 432, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 68, 69,
&end
#
# 5 GLN HA 5 GLN QE2 4.82 (#peak 638)
&rst
ixpk= 638, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 73, 74,
&end
#
# 5 GLN QB 19 TYR QE 3.97 (#peak 415)
&rst
ixpk= 415, 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 4.66 (#peak 431)
&rst
ixpk= 431, nxpk= 0, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 68, 69,
&end
#
# 5 GLN QG 19 TYR QE 5.06 (#peak 418)
&rst
ixpk= 418, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 68, 69,
igr2= 278, 283,
&end
#
# 6 CYX H 6 CYX QB 3.12 (#peak 75)
&rst
ixpk= 75, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 82, 83,
&end
#
# 6 CYX H 41 LEU QQD 4.37 (#peak 320)
&rst
ixpk= 320, nxpk= 0, iat= 78, 467, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, &end
#
# 6 CYX QB 7 CYX H 4.00 (#peak 76)
&rst
ixpk= 76, nxpk= 0, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 82, 83,
&end
#
# 6 CYX QB 41 LEU QQD 3.31 (#peak 123)
&rst
ixpk= 123, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 82, 83,
&end
#
# 7 CYX H 7 CYX QB 3.39 (#peak 74)
&rst
ixpk= 74, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 92, 93,
&end
#
# 7 CYX H 41 LEU QQD 4.54 (#peak 320)
&rst
ixpk= 320, nxpk= 0, iat= 88, 467, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, &end
#
# 7 CYX QB 8 THR H 3.63 (#peak 86)
&rst
ixpk= 86, nxpk= 0, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 92, 93,
&end
#
# 7 CYX QB 8 THR QG2 4.91 (#peak 246)
&rst
ixpk= 246, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 92, 93,
igr2= 104, 105, 106,
&end
#
# 7 CYX QB 37 CYX HA 5.01 (#peak 248)
&rst
ixpk= 248, nxpk= 0, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 92, 93,
&end
#
# 7 CYX QB 41 LEU QQD 4.64 (#peak 141)
&rst
ixpk= 141, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 92, 93,
&end
#
# 9 SER QB 10 ILE H 3.32 (#peak 510)
&rst
ixpk= 510, nxpk= 0, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 116, 117,
&end
#
# 9 SER QB 35 HIS HE1 5.34 (#peak 522)
&rst
ixpk= 522, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 116, 117,
&end
#
# 10 ILE H 10 ILE QG1 3.72 (#peak 309)
&rst
ixpk= 309, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 133, 134,
&end
#
# 10 ILE QG2 33 ASN QD2 4.46 (#peak 512)
&rst
ixpk= 512, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 129, 130, 131,
igr2= 358, 359,
&end
#
# 10 ILE QG1 35 HIS H 5.25 (#peak 541)
&rst
ixpk= 541, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 133, 134,
&end
#
# 10 ILE QG1 35 HIS HD2 4.39 (#peak 527)
&rst
ixpk= 527, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 133, 134,
&end
#
# 10 ILE QG1 35 HIS HE1 3.71 (#peak 277)
&rst
ixpk= 277, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 133, 134,
&end
#
# 11 CYX QB 12 SER H 3.89 (#peak 145)
&rst
ixpk= 145, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 146, 147,
&end
#
# 11 CYX QB 15 GLN QG 5.18 (#peak 327)
&rst
ixpk= 327, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 146, 147,
igr2= 210, 211,
&end
#
# 12 SER H 12 SER QB 3.28 (#peak 16)
&rst
ixpk= 16, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 156, 157,
&end
#
# 12 SER H 15 GLN QG 3.66 (#peak 251)
&rst
ixpk= 251, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 210, 211,
&end
#
# 12 SER QB 13 LEU H 3.00 (#peak 55)
&rst
ixpk= 55, nxpk= 0, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 156, 157,
&end
#
# 12 SER QB 13 LEU QB 5.08 (#peak 255)
&rst
ixpk= 255, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 156, 157,
igr2= 167, 168,
&end
#
# 12 SER QB 14 TYR H 3.32 (#peak 139)
&rst
ixpk= 139, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 156, 157,
&end
#
# 12 SER QB 14 TYR QD 3.67 (#peak 470)
&rst
ixpk= 470, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 156, 157,
igr2= 190, 199,
&end
#
# 12 SER QB 14 TYR QE 4.48 (#peak 596)
&rst
ixpk= 596, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 156, 157,
igr2= 192, 197,
&end
#
# 12 SER QB 15 GLN H 4.56 (#peak 141)
&rst
ixpk= 141, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 156, 157,
&end
#
# 13 LEU H 13 LEU QQD 3.61 (#peak 270)
&rst
ixpk= 270, nxpk= 0, iat= 163, 169, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 13 LEU HA 16 LEU QB 3.94 (#peak 75)
&rst
ixpk= 75, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 224, 225,
&end
#
# 13 LEU HA 16 LEU QQD 4.78 (#peak 139)
&rst
ixpk= 139, nxpk= 0, iat= 165, 226, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, &end
#
# 13 LEU QQD 14 TYR H 4.17 (#peak 332)
&rst
ixpk= 332, nxpk= 0, iat= 169, 182, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, &end
#
# 13 LEU QQD 14 TYR QD 4.74 (#peak 357)
&rst
ixpk= 357, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr2= 190, 199,
&end
#
# 13 LEU QQD 14 TYR QE 4.57 (#peak 358)
&rst
ixpk= 358, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 192, 197,
&end
#
# 13 LEU QQD 17 GLU QG 4.32 (#peak 262)
&rst
ixpk= 262, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2= 246, 247,
&end
#
# 13 LEU QQD 31 PHE QD 4.16 (#peak 350)
&rst
ixpk= 350, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr2= 321, 329,
&end
#
# 13 LEU QQD 31 PHE QE 4.44 (#peak 343)
&rst
ixpk= 343, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2= 323, 327,
&end
#
# 13 LEU QQD 48 VAL HB 5.44 (#peak 279)
&rst
ixpk= 279, nxpk= 0, iat= 169, 584, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 13 LEU QQD 48 VAL QG1 4.38 (#peak 277)
&rst
ixpk= 277, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr2= 586, 587, 588,
&end
#
# 14 TYR QD 15 GLN QG 4.68 (#peak 594)
&rst
ixpk= 594, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 190, 199,
igr2= 210, 211,
&end
#
# 15 GLN H 16 LEU QB 4.48 (#peak 401)
&rst
ixpk= 401, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 224, 225,
&end
#
# 15 GLN HA 15 GLN QG 3.63 (#peak 52)
&rst
ixpk= 52, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 210, 211,
&end
#
# 15 GLN HA 18 ASN QB 5.11 (#peak 312)
&rst
ixpk= 312, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 258, 259,
&end
#
# 15 GLN QG 15 GLN HE22 3.51 (#peak 592)
&rst
ixpk= 592, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 210, 211,
&end
#
# 15 GLN QG 16 LEU H 4.21 (#peak 439)
&rst
ixpk= 439, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 210, 211,
&end
#
# 16 LEU H 16 LEU QB 2.87 (#peak 393)
&rst
ixpk= 393, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 224, 225,
&end
#
# 16 LEU H 16 LEU QQD 3.66 (#peak 631)
&rst
ixpk= 631, nxpk= 0, iat= 220, 226, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 16 LEU HA 16 LEU QQD 3.43 (#peak 147)
&rst
ixpk= 147, nxpk= 0, iat= 222, 226, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 16 LEU QB 48 VAL QG1 3.93 (#peak 274)
&rst
ixpk= 274, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 224, 225,
igr2= 586, 587, 588,
&end
#
# 16 LEU QQD 19 TYR HB3 5.01 (#peak 121)
&rst
ixpk= 121, nxpk= 0, iat= 226, 273, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, &end
#
# 16 LEU QQD 19 TYR QD 3.85 (#peak 337)
&rst
ixpk= 337, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 276, 285,
&end
#
# 16 LEU QQD 19 TYR QE 3.69 (#peak 359)
&rst
ixpk= 359, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 278, 283,
&end
#
# 16 LEU QQD 31 PHE QE 5.05 (#peak 343)
&rst
ixpk= 343, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr2= 323, 327,
&end
#
# 16 LEU QQD 44 ALA QB 3.68 (#peak 226)
&rst
ixpk= 226, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 515, 516, 517,
&end
#
# 16 LEU QQD 45 LEU HA 3.81 (#peak 284)
&rst
ixpk= 284, nxpk= 0, iat= 226, 523, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 16 LEU QQD 48 VAL HB 4.96 (#peak 278)
&rst
ixpk= 278, nxpk= 0, iat= 226, 584, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, &end
#
# 16 LEU QQD 48 VAL QG1 3.76 (#peak 276)
&rst
ixpk= 276, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr2= 586, 587, 588,
&end
#
# 17 GLU H 17 GLU QB 3.16 (#peak 391)
&rst
ixpk= 391, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 243, 244,
&end
#
# 17 GLU H 17 GLU QG 3.04 (#peak 435)
&rst
ixpk= 435, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 246, 247,
&end
#
# 17 GLU HA 17 GLU QG 3.61 (#peak 48)
&rst
ixpk= 48, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 246, 247,
&end
#
# 17 GLU QB 19 TYR H 5.27 (#peak 547)
&rst
ixpk= 547, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 243, 244,
&end
#
# 18 ASN H 18 ASN QB 3.06 (#peak 424)
&rst
ixpk= 424, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 258, 259,
&end
#
# 18 ASN HA 18 ASN QD2 4.87 (#peak 642)
&rst
ixpk= 642, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 263, 264,
&end
#
# 18 ASN QB 18 ASN QD2 3.21 (#peak 419)
&rst
ixpk= 419, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 258, 259,
igr2= 263, 264,
&end
#
# 18 ASN QB 19 TYR H 3.48 (#peak 124)
&rst
ixpk= 124, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 258, 259,
&end
#
# 18 ASN QB 19 TYR QD 4.21 (#peak 422)
&rst
ixpk= 422, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 258, 259,
igr2= 276, 285,
&end
#
# 18 ASN QB 19 TYR QE 4.63 (#peak 417)
&rst
ixpk= 417, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 258, 259,
igr2= 278, 283,
&end
#
# 19 TYR H 20 CYX QB 4.73 (#peak 445)
&rst
ixpk= 445, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 293, 294,
&end
#
# 19 TYR QE 41 LEU QQD 5.44 (#peak 360)
&rst
ixpk= 360, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
igr1= 278, 283,
&end
#
# 20 CYX H 20 CYX QB 3.16 (#peak 135)
&rst
ixpk= 135, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 293, 294,
&end
#
# 20 CYX QB 21 ASN H 3.44 (#peak 136)
&rst
ixpk= 136, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 293, 294,
&end
#
# 21 ASN H 21 ASN QB 3.39 (#peak 133)
&rst
ixpk= 133, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 303, 304,
&end
#
# 31 PHE QD 36 LEU QQD 5.27 (#peak 581)
&rst
ixpk= 581, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 8.12, r4= 8.62,
igr1= 321, 329,
&end
#
# 31 PHE QE 34 GLN QG 4.45 (#peak 405)
&rst
ixpk= 405, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 323, 327,
igr2= 370, 371,
&end
#
# 31 PHE QE 36 LEU QQD 4.16 (#peak 342)
&rst
ixpk= 342, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 323, 327,
&end
#
# 31 PHE HZ 36 LEU QQD 4.27 (#peak 337)
&rst
ixpk= 337, nxpk= 0, iat= 325, 403, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, &end
#
# 32 VAL H 34 GLN QE2 5.34 (#peak 577)
&rst
ixpk= 577, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 375, 376,
&end
#
# 32 VAL HB 34 GLN QE2 5.30 (#peak 520)
&rst
ixpk= 520, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 375, 376,
&end
#
# 32 VAL QQG 34 GLN QG 5.03 (#peak 320)
&rst
ixpk= 320, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 370, 371,
&end
#
# 32 VAL QQG 34 GLN QE2 4.54 (#peak 517)
&rst
ixpk= 517, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 375, 376,
&end
#
# 33 ASN H 33 ASN QD2 4.27 (#peak 192)
&rst
ixpk= 192, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 358, 359,
&end
#
# 33 ASN HA 33 ASN QD2 4.61 (#peak 649)
&rst
ixpk= 649, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 358, 359,
&end
#
# 33 ASN HA 34 GLN QG 5.34 (#peak 271)
&rst
ixpk= 271, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 370, 371,
&end
#
# 33 ASN QB 33 ASN QD2 3.00 (#peak 447)
&rst
ixpk= 447, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 353, 354,
igr2= 358, 359,
&end
#
# 34 GLN H 34 GLN QG 3.36 (#peak 293)
&rst
ixpk= 293, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 370, 371,
&end
#
# 34 GLN H 36 LEU QQD 5.44 (#peak 590)
&rst
ixpk= 590, nxpk= 0, iat= 363, 403, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 34 GLN HB2 34 GLN QE2 4.41 (#peak 560)
&rst
ixpk= 560, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 375, 376,
&end
#
# 34 GLN HB2 36 LEU QQD 4.59 (#peak 181)
&rst
ixpk= 181, nxpk= 0, iat= 367, 403, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, &end
#
# 34 GLN QG 35 HIS H 4.38 (#peak 260)
&rst
ixpk= 260, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 370, 371,
&end
#
# 34 GLN QG 36 LEU QQD 4.05 (#peak 273)
&rst
ixpk= 273, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 370, 371,
&end
#
# 34 GLN QE2 36 LEU QQD 4.74 (#peak 358)
&rst
ixpk= 358, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1= 375, 376,
&end
#
# 36 LEU H 36 LEU QB 3.60 (#peak 245)
&rst
ixpk= 245, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 401, 402,
&end
#
# 36 LEU H 36 LEU QQD 4.08 (#peak 248)
&rst
ixpk= 248, nxpk= 0, iat= 397, 403, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, &end
#
# 36 LEU HA 36 LEU QQD 3.10 (#peak 117)
&rst
ixpk= 117, nxpk= 0, iat= 399, 403, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 36 LEU HA 40 HIS QB 4.38 (#peak 338)
&rst
ixpk= 338, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 448, 449,
&end
#
# 36 LEU QB 37 CYX H 3.79 (#peak 323)
&rst
ixpk= 323, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 401, 402,
&end
#
# 36 LEU QB 40 HIS QB 4.49 (#peak 247)
&rst
ixpk= 247, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 401, 402,
igr2= 448, 449,
&end
#
# 36 LEU QB 41 LEU H 4.26 (#peak 352)
&rst
ixpk= 352, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 401, 402,
&end
#
# 36 LEU QB 41 LEU HA 3.86 (#peak 335)
&rst
ixpk= 335, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 401, 402,
&end
#
# 36 LEU QB 41 LEU QB 4.29 (#peak 305)
&rst
ixpk= 305, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 401, 402,
igr2= 465, 466,
&end
#
# 36 LEU QB 41 LEU HG 5.34 (#peak 304)
&rst
ixpk= 304, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 401, 402,
&end
#
# 36 LEU QB 41 LEU QQD 3.44 (#peak 316)
&rst
ixpk= 316, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 401, 402,
&end
#
# 36 LEU QB 44 ALA H 5.34 (#peak 551)
&rst
ixpk= 551, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 401, 402,
&end
#
# 36 LEU QQD 37 CYX H 3.57 (#peak 324)
&rst
ixpk= 324, nxpk= 0, iat= 403, 416, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 36 LEU QQD 40 HIS H 5.44 (#peak 565)
&rst
ixpk= 565, nxpk= 0, iat= 403, 444, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 36 LEU QQD 40 HIS QB 3.61 (#peak 124)
&rst
ixpk= 124, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2= 448, 449,
&end
#
# 36 LEU QQD 41 LEU H 4.61 (#peak 355)
&rst
ixpk= 355, nxpk= 0, iat= 403, 461, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, &end
#
# 36 LEU QQD 41 LEU HA 4.27 (#peak 288)
&rst
ixpk= 288, nxpk= 0, iat= 403, 463, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, &end
#
# 36 LEU QQD 44 ALA H 4.87 (#peak 307)
&rst
ixpk= 307, nxpk= 0, iat= 403, 511, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, &end
#
# 36 LEU QQD 44 ALA QB 2.99 (#peak 197)
&rst
ixpk= 197, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 515, 516, 517,
&end
#
# 37 CYX H 37 CYX QB 3.17 (#peak 61)
&rst
ixpk= 61, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 420, 421,
&end
#
# 37 CYX H 40 HIS QB 3.25 (#peak 142)
&rst
ixpk= 142, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 448, 449,
&end
#
# 37 CYX H 41 LEU QB 4.69 (#peak 386)
&rst
ixpk= 386, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 465, 466,
&end
#
# 37 CYX HA 41 LEU QQD 4.99 (#peak 325)
&rst
ixpk= 325, nxpk= 0, iat= 418, 467, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, &end
#
# 37 CYX QB 38 GLY H 3.59 (#peak 62)
&rst
ixpk= 62, nxpk= 0, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 420, 421,
&end
#
# 37 CYX QB 38 GLY HA3 5.16 (#peak 340)
&rst
ixpk= 340, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 420, 421,
&end
#
# 37 CYX QB 41 LEU H 4.92 (#peak 605)
&rst
ixpk= 605, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 420, 421,
&end
#
# 38 GLY H 41 LEU QB 4.42 (#peak 241)
&rst
ixpk= 241, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 465, 466,
&end
#
# 38 GLY H 41 LEU QQD 4.73 (#peak 242)
&rst
ixpk= 242, nxpk= 0, iat= 426, 467, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, &end
#
# 39 SER H 42 VAL QQG 4.83 (#peak 244)
&rst
ixpk= 244, nxpk= 0, iat= 433, 483, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, &end
#
# 39 SER HA 42 VAL QQG 3.52 (#peak 146)
&rst
ixpk= 146, nxpk= 0, iat= 435, 483, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 40 HIS H 40 HIS QB 3.01 (#peak 77)
&rst
ixpk= 77, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 448, 449,
&end
#
# 40 HIS H 41 LEU QB 5.34 (#peak 563)
&rst
ixpk= 563, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 465, 466,
&end
#
# 40 HIS H 42 VAL QQG 5.09 (#peak 564)
&rst
ixpk= 564, nxpk= 0, iat= 444, 483, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79, &end
#
# 40 HIS HA 43 GLU QB 3.95 (#peak 57)
&rst
ixpk= 57, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 500, 501,
&end
#
# 40 HIS QB 41 LEU H 3.83 (#peak 455)
&rst
ixpk= 455, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 448, 449,
&end
#
# 41 LEU H 41 LEU QB 3.28 (#peak 404)
&rst
ixpk= 404, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 465, 466,
&end
#
# 41 LEU H 42 VAL QQG 4.88 (#peak 352)
&rst
ixpk= 352, nxpk= 0, iat= 461, 483, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58, &end
#
# 41 LEU HA 41 LEU QQD 3.10 (#peak 286)
&rst
ixpk= 286, nxpk= 0, iat= 463, 467, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 41 LEU QB 42 VAL H 3.42 (#peak 403)
&rst
ixpk= 403, nxpk= 0, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 465, 466,
&end
#
# 41 LEU QB 44 ALA H 5.08 (#peak 552)
&rst
ixpk= 552, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 465, 466,
&end
#
# 41 LEU QQD 42 VAL HA 5.02 (#peak 127)
&rst
ixpk= 127, nxpk= 0, iat= 467, 482, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72, &end
#
# 41 LEU QQD 44 ALA H 4.60 (#peak 306)
&rst
ixpk= 306, nxpk= 0, iat= 467, 511, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 41 LEU QQD 44 ALA QB 3.82 (#peak 235)
&rst
ixpk= 235, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 515, 516, 517,
&end
#
# 41 LEU QQD 45 LEU H 4.20 (#peak 317)
&rst
ixpk= 317, nxpk= 0, iat= 467, 521, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 41 LEU QQD 45 LEU HB3 3.95 (#peak 295)
&rst
ixpk= 295, nxpk= 0, iat= 467, 526, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 42 VAL H 42 VAL QQG 2.87 (#peak 345)
&rst
ixpk= 345, nxpk= 0, iat= 480, 483, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 42 VAL HA 42 VAL QQG 2.91 (#peak 125)
&rst
ixpk= 125, nxpk= 0, iat= 482, 483, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 42 VAL QQG 43 GLU H 3.44 (#peak 311)
&rst
ixpk= 311, nxpk= 0, iat= 483, 496, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 42 VAL QQG 44 ALA H 5.44 (#peak 551)
&rst
ixpk= 551, nxpk= 0, iat= 483, 511, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 42 VAL QQG 46 TYR QB 4.57 (#peak 156)
&rst
ixpk= 156, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 544, 545,
&end
#
# 43 GLU H 43 GLU QB 2.91 (#peak 625)
&rst
ixpk= 625, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2= 500, 501,
&end
#
# 43 GLU QB 44 ALA H 3.22 (#peak 395)
&rst
ixpk= 395, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1= 500, 501,
&end
#
# 43 GLU QB 45 LEU H 5.34 (#peak 588)
&rst
ixpk= 588, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 500, 501,
&end
#
# 45 LEU HA 49 CYX QB 5.34 (#peak 340)
&rst
ixpk= 340, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 600, 601,
&end
#
# 45 LEU QD1 49 CYX QB 4.73 (#peak 153)
&rst
ixpk= 153, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 530, 531, 532,
igr2= 600, 601,
&end
#
# 46 TYR HA 49 CYX QB 4.09 (#peak 34)
&rst
ixpk= 34, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 600, 601,
&end
#
# 46 TYR QE 47 LEU QB 5.28 (#peak 416)
&rst
ixpk= 416, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 550, 555,
igr2= 565, 566,
&end
#
# 47 LEU H 47 LEU QB 3.14 (#peak 374)
&rst
ixpk= 374, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 565, 566,
&end
#
# 47 LEU QB 48 VAL HA 5.18 (#peak 96)
&rst
ixpk= 96, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 565, 566,
&end
#
# 47 LEU QB 48 VAL QG1 5.01 (#peak 189)
&rst
ixpk= 189, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 565, 566,
igr2= 586, 587, 588,
&end
#
# 47 LEU QB 49 CYX H 4.58 (#peak 616)
&rst
ixpk= 616, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 565, 566,
&end
#
# 48 VAL H 49 CYX QB 5.22 (#peak 543)
&rst
ixpk= 543, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 600, 601,
&end
#
# 49 CYX H 49 CYX QB 2.88 (#peak 50)
&rst
ixpk= 50, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 600, 601,
&end
#
# 49 CYX QB 50 GLY H 3.41 (#peak 51)
&rst
ixpk= 51, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 600, 601,
&end
#
# 49 CYX QB 50 GLY QA 4.68 (#peak 267)
&rst
ixpk= 267, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 600, 601,
igr2= 608, 609,
&end
#
# 49 CYX QB 51 GLU H 5.03 (#peak 606)
&rst
ixpk= 606, nxpk= 0, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 600, 601,
&end
#
# 50 GLY H 51 GLU QB 4.79 (#peak 615)
&rst
ixpk= 615, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 617, 618,
&end
#
# 51 GLU H 51 GLU QB 3.05 (#peak 608)
&rst
ixpk= 608, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 617, 618,
&end
#
# 51 GLU H 51 GLU QG 5.23 (#peak 437)
&rst
ixpk= 437, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 620, 621,
&end
#
# 51 GLU QB 52 ARG H 4.28 (#peak 613)
&rst
ixpk= 613, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 617, 618,
&end
#
# 51 GLU QG 52 ARG H 5.34 (#peak 437)
&rst
ixpk= 437, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 620, 621,
&end
#
# 52 ARG H 52 ARG QB 2.99 (#peak 378)
&rst
ixpk= 378, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 632, 633,
&end
#
# 52 ARG H 52 ARG QG 3.36 (#peak 379)
&rst
ixpk= 379, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 635, 636,
&end
#
# 52 ARG QB 53 GLY H 4.21 (#peak 612)
&rst
ixpk= 612, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 632, 633,
&end
#
# 52 ARG QG 52 ARG HE 3.58 (#peak 372)
&rst
ixpk= 372, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 635, 636,
&end
#
# 54 HIS H 54 HIS QB 3.07 (#peak 104)
&rst
ixpk= 104, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 663, 664,
&end
#
# 54 HIS H 55 PHE QB 5.03 (#peak 614)
&rst
ixpk= 614, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 680, 681,
&end
#
# 54 HIS QB 55 PHE H 4.01 (#peak 440)
&rst
ixpk= 440, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 663, 664,
&end
#
# 54 HIS QB 55 PHE QD 5.34 (#peak 453)
&rst
ixpk= 453, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 663, 664,
igr2= 684, 692,
&end
#
# 55 PHE H 55 PHE QB 3.06 (#peak 128)
&rst
ixpk= 128, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 680, 681,
&end
#
# 55 PHE QB 56 TYR H 3.44 (#peak 132)
&rst
ixpk= 132, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 680, 681,
&end
#
# 58 PRO HA 59 LYS QB 4.79 (#peak 251)
&rst
ixpk= 251, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 749, 750,
&end
#
# 58 PRO QB 59 LYS H 3.61 (#peak 387)
&rst
ixpk= 387, nxpk= 0, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 738, 739,
&end
#
# 59 LYS H 59 LYS QB 3.35 (#peak 389)
&rst
ixpk= 389, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 749, 750,
&end
Contact the webmaster for help, if required. Tuesday, April 30, 2024 8:42:34 AM GMT (wattos1)