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 |
|
|
559138 |
2m2n   |
18923 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 48 VAL QG2 49 CYX H 3.75 (#peak 1 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 590, 591, 592,
&end
#
# 48 VAL H 48 VAL QG2 2.98 (#peak 2 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 590, 591, 592,
&end
#
# 48 VAL H 48 VAL QG1 3.91 (#peak 3 #SUP 1.00)
&rst
ixpk= 3, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 586, 587, 588,
&end
#
# 48 VAL QG1 49 CYX H 3.52 (#peak 4 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 586, 587, 588,
&end
#
# 49 CYX H 49 CYX HB2 3.22 (#peak 5 #SUP 0.96 #QF 0.96)
&rst
ixpk= 5, nxpk= 0, iat= 596, 600, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 49 CYX H 49 CYX HB3 3.43 (#peak 6 #SUP 0.95 #QF 0.95)
&rst
ixpk= 6, nxpk= 0, iat= 596, 601, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 48 VAL H 48 VAL HB 3.19 (#peak 7 #SUP 0.98 #QF 0.98)
&rst
ixpk= 7, nxpk= 0, iat= 580, 584, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 48 VAL HB 49 CYX H 3.27 (#peak 8 #SUP 0.98 #QF 0.98)
&rst
ixpk= 8, nxpk= 0, iat= 584, 596, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 12 SER HB2 13 LEU H 4.68 (#peak 17 #SUP 1.00)
&rst
ixpk= 17, nxpk= 0, iat= 156, 163, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 12 SER HB3 13 LEU H 4.68 (#peak 18 #SUP 1.00)
&rst
ixpk= 18, nxpk= 0, iat= 157, 163, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 13 LEU H 13 LEU QB 3.90 (#peak 19 #SUP 1.00)
&rst
ixpk= 19, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 167, 168,
&end
#
# 13 LEU H 13 LEU HG 4.53 (#peak 21 #SUP 0.92 #QF 0.92)
&rst
ixpk= 21, nxpk= 0, iat= 163, 170, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 36 LEU HA 37 CYX H 3.25 (#peak 29 #SUP 0.89 #QF 0.89)
&rst
ixpk= 29, nxpk= 0, iat= 399, 416, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 37 CYX H 40 HIE HB3 3.86 (#peak 30 #SUP 0.67 #QF 0.47)
&rst
ixpk= 30, nxpk= 0, iat= 416, 449, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 44 ALA H 44 ALA QB 2.70 (#peak 36 #SUP 0.96 #QF 0.96)
&rst
ixpk= 36, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 515, 516, 517,
&end
#
# 41 LEU H 41 LEU HB2 3.81 (#peak 41 #SUP 0.98 #QF 0.98)
&rst
ixpk= 41, nxpk= 0, iat= 461, 465, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 41 LEU H 41 LEU HB3 3.81 (#peak 42 #SUP 0.69 #QF 0.69)
&rst
ixpk= 42, nxpk= 0, iat= 461, 466, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 3 VAL H 3 VAL QG1 3.87 (#peak 43 #SUP 0.94 #QF 0.94)
&rst
ixpk= 43, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 36, 37, 38,
&end
#
# 3 VAL H 3 VAL HB 3.18 (#peak 45 #SUP 0.93 #QF 0.93)
&rst
ixpk= 45, nxpk= 0, iat= 30, 34, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 48 VAL H 49 CYX H 3.31 (#peak 46 #SUP 1.00)
&rst
ixpk= 46, nxpk= 0, iat= 580, 596, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 47 LEU H 48 VAL H 3.68 (#peak 49 #SUP 1.00)
&rst
ixpk= 49, nxpk= 0, iat= 561, 580, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 49 CYX HB2 50 GLY H 4.03 (#peak 52 #SUP 1.00)
&rst
ixpk= 52, nxpk= 0, iat= 600, 606, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 49 CYX HB3 50 GLY H 4.05 (#peak 53 #SUP 0.98 #QF 0.98)
&rst
ixpk= 53, nxpk= 0, iat= 601, 606, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 20 CYX HA 21 ASN H 2.94 (#peak 54 #SUP 0.85 #QF 0.85)
&rst
ixpk= 54, nxpk= 0, iat= 291, 299, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 21 ASN H 21 ASN HB3 3.73 (#peak 55 #SUP 0.96 #QF 0.96)
&rst
ixpk= 55, nxpk= 0, iat= 299, 304, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 21 ASN H 21 ASN HB2 3.73 (#peak 56 #SUP 0.99 #QF 0.99)
&rst
ixpk= 56, nxpk= 0, iat= 299, 303, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 42 VAL HA 45 LEU H 4.07 (#peak 58 #SUP 0.57 #QF 0.26)
&rst
ixpk= 58, nxpk= 0, iat= 482, 521, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 20 CYX H 20 CYX HB3 3.39 (#peak 59 #SUP 0.88 #QF 0.88)
&rst
ixpk= 59, nxpk= 0, iat= 289, 294, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 20 CYX H 20 CYX HB2 3.39 (#peak 60 #SUP 0.95 #QF 0.95)
&rst
ixpk= 60, nxpk= 0, iat= 289, 293, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 19 TYR H 19 TYR HB2 3.10 (#peak 63 #SUP 0.93 #QF 0.93)
&rst
ixpk= 63, nxpk= 0, iat= 268, 272, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 18 ASN HA 19 TYR H 3.45 (#peak 65 #SUP 0.95 #QF 0.95)
&rst
ixpk= 65, nxpk= 0, iat= 256, 268, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 18 ASN H 18 ASN HB2 3.19 (#peak 67 #SUP 0.93 #QF 0.93)
&rst
ixpk= 67, nxpk= 0, iat= 254, 258, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 18 ASN H 18 ASN HB3 3.79 (#peak 68 #SUP 0.99 #QF 0.99)
&rst
ixpk= 68, nxpk= 0, iat= 254, 259, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 18 ASN HB3 19 TYR H 4.25 (#peak 69 #SUP 1.00)
&rst
ixpk= 69, nxpk= 0, iat= 259, 268, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 18 ASN HB2 19 TYR H 3.90 (#peak 70 #SUP 0.99 #QF 0.99)
&rst
ixpk= 70, nxpk= 0, iat= 258, 268, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 21 ASN HB3 21 ASN HD22 4.07 (#peak 71 #SUP 0.99 #QF 0.99)
&rst
ixpk= 71, nxpk= 0, iat= 304, 309, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 21 ASN HB2 21 ASN HD22 4.07 (#peak 72 #SUP 0.99 #QF 0.99)
&rst
ixpk= 72, nxpk= 0, iat= 303, 309, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 21 ASN HB3 21 ASN HD21 3.45 (#peak 73 #SUP 0.89 #QF 0.89)
&rst
ixpk= 73, nxpk= 0, iat= 304, 308, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 21 ASN HB2 21 ASN HD21 3.45 (#peak 74 #SUP 1.00)
&rst
ixpk= 74, nxpk= 0, iat= 303, 308, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 19 TYR HA 19 TYR QD 3.12 (#peak 84 #SUP 0.88 #QF 0.88)
&rst
ixpk= 84, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 276, 285,
&end
#
# 18 ASN HB2 19 TYR QE 4.31 (#peak 85 #SUP 0.97 #QF 0.97)
&rst
ixpk= 85, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 278, 283,
&end
#
# 18 ASN HB3 19 TYR QE 4.62 (#peak 86 #SUP 0.99 #QF 0.99)
&rst
ixpk= 86, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 278, 283,
&end
#
# 40 HIE HB3 41 LEU H 4.63 (#peak 89 #SUP 0.95 #QF 0.95)
&rst
ixpk= 89, nxpk= 0, iat= 449, 461, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 40 HIE HB2 41 LEU H 4.44 (#peak 90 #SUP 0.95 #QF 0.95)
&rst
ixpk= 90, nxpk= 0, iat= 448, 461, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 37 CYX H 40 HIE HB2 4.19 (#peak 95 #SUP 0.90 #QF 0.90)
&rst
ixpk= 95, nxpk= 0, iat= 416, 448, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 3 VAL H 3 VAL QG2 3.87 (#peak 96 #SUP 1.00)
&rst
ixpk= 96, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 40, 41, 42,
&end
#
# 2 ILE QG2 3 VAL H 3.47 (#peak 97 #SUP 0.89 #QF 0.89)
&rst
ixpk= 97, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 17, 18, 19,
&end
#
# 2 ILE QD1 3 VAL H 5.10 (#peak 98 #SUP 0.97 #QF 0.91)
&rst
ixpk= 98, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 24, 25, 26,
&end
#
# 3 VAL HB 4 GLU H 4.10 (#peak 100 #SUP 0.96 #QF 0.96)
&rst
ixpk= 100, nxpk= 0, iat= 34, 46, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 4 GLU H 4 GLU HG3 5.00 (#peak 103 #SUP 0.96 #QF 0.83)
&rst
ixpk= 103, nxpk= 0, iat= 46, 54, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 GLU H 4 GLU HG2 5.00 (#peak 104 #SUP 0.97 #QF 0.97)
&rst
ixpk= 104, nxpk= 0, iat= 46, 53, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 VAL QG1 4 GLU H 4.51 (#peak 105 #SUP 1.00)
&rst
ixpk= 105, nxpk= 0, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 36, 37, 38,
&end
#
# 3 VAL QG2 4 GLU H 4.51 (#peak 106 #SUP 0.99 #QF 0.99)
&rst
ixpk= 106, nxpk= 0, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 40, 41, 42,
&end
#
# 54 HIE HE1 57 THR HA 4.22 (#peak 111 #SUP 0.99 #QF 0.96)
&rst
ixpk= 111, nxpk= 0, iat= 668, 719, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 46 TYR QB 47 LEU H 3.72 (#peak 112 #SUP 0.91 #QF 0.91)
&rst
ixpk= 112, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 544, 545,
&end
#
# 46 TYR H 46 TYR QB 2.92 (#peak 114 #SUP 0.91 #QF 0.91)
&rst
ixpk= 114, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 544, 545,
&end
#
# 46 TYR HA 46 TYR QD 2.90 (#peak 115 #SUP 0.77 #QF 0.77)
&rst
ixpk= 115, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 548, 557,
&end
#
# 45 LEU H 45 LEU HB3 3.58 (#peak 121 #SUP 0.99 #QF 0.99)
&rst
ixpk= 121, nxpk= 0, iat= 521, 526, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 44 ALA QB 45 LEU H 3.09 (#peak 122 #SUP 0.93 #QF 0.93)
&rst
ixpk= 122, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr1= 515, 516, 517,
&end
#
# 45 LEU H 45 LEU QD2 4.36 (#peak 123 #SUP 0.92 #QF 0.82)
&rst
ixpk= 123, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 534, 535, 536,
&end
#
# 47 LEU H 47 LEU HB3 3.74 (#peak 124 #SUP 1.00)
&rst
ixpk= 124, nxpk= 0, iat= 561, 566, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 47 LEU H 47 LEU HB2 3.74 (#peak 125 #SUP 0.99 #QF 0.99)
&rst
ixpk= 125, nxpk= 0, iat= 561, 565, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 47 LEU H 47 LEU HG 4.42 (#peak 126 #SUP 0.95 #QF 0.95)
&rst
ixpk= 126, nxpk= 0, iat= 561, 568, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 47 LEU HB3 48 VAL H 3.81 (#peak 127 #SUP 0.98 #QF 0.98)
&rst
ixpk= 127, nxpk= 0, iat= 566, 580, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 47 LEU HG 48 VAL H 5.50 (#peak 128 #SUP 0.99 #QF 0.99)
&rst
ixpk= 128, nxpk= 0, iat= 568, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 LEU HB2 48 VAL H 3.81 (#peak 129 #SUP 0.98 #QF 0.98)
&rst
ixpk= 129, nxpk= 0, iat= 565, 580, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 43 GLU H 43 GLU QB 2.86 (#peak 130 #SUP 0.94 #QF 0.94)
&rst
ixpk= 130, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 500, 501,
&end
#
# 43 GLU QB 44 ALA H 3.66 (#peak 131 #SUP 0.99 #QF 0.99)
&rst
ixpk= 131, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 500, 501,
&end
#
# 43 GLU H 43 GLU HG2 3.80 (#peak 134 #SUP 0.98 #QF 0.98)
&rst
ixpk= 134, nxpk= 0, iat= 496, 503, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 43 GLU H 43 GLU HG3 3.80 (#peak 135 #SUP 0.98 #QF 0.98)
&rst
ixpk= 135, nxpk= 0, iat= 496, 504, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 43 GLU HG2 44 ALA H 4.70 (#peak 136 #SUP 0.87 #QF 0.87)
&rst
ixpk= 136, nxpk= 0, iat= 503, 511, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 43 GLU HG3 44 ALA H 4.70 (#peak 137 #SUP 0.99 #QF 0.99)
&rst
ixpk= 137, nxpk= 0, iat= 504, 511, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 60 THR H 60 THR QG2 4.26 (#peak 138 #SUP 0.99 #QF 0.99)
&rst
ixpk= 138, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 773, 774, 775,
&end
#
# 59 LYS HB3 60 THR H 4.64 (#peak 139 #SUP 1.00)
&rst
ixpk= 139, nxpk= 0, iat= 750, 767, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 59 LYS HB2 60 THR H 4.64 (#peak 140 #SUP 0.91 #QF 0.91)
&rst
ixpk= 140, nxpk= 0, iat= 749, 767, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 59 LYS HA 60 THR H 2.78 (#peak 142 #SUP 0.44 #QF 0.44)
&rst
ixpk= 142, nxpk= 0, iat= 747, 767, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 60 THR H 60 THR HB 4.03 (#peak 144 #SUP 0.96 #QF 0.96)
&rst
ixpk= 144, nxpk= 0, iat= 767, 771, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 12 SER HB3 14 TYR H 4.11 (#peak 147 #SUP 0.70 #QF 0.57)
&rst
ixpk= 147, nxpk= 0, iat= 157, 182, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 54 HIE HE1 57 THR QG2 4.23 (#peak 149 #SUP 0.89 #QF 0.89)
&rst
ixpk= 149, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 723, 724, 725,
&end
#
# 57 THR H 57 THR QG2 4.40 (#peak 150 #SUP 0.96 #QF 0.96)
&rst
ixpk= 150, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 723, 724, 725,
&end
#
# 56 TYR H 56 TYR HB3 3.46 (#peak 151 #SUP 0.92 #QF 0.92)
&rst
ixpk= 151, nxpk= 0, iat= 696, 701, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 56 TYR H 56 TYR HB2 3.46 (#peak 152 #SUP 0.94 #QF 0.23)
&rst
ixpk= 152, nxpk= 0, iat= 696, 700, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 55 PHE H 55 PHE HB3 4.14 (#peak 154 #SUP 0.92 #QF 0.92)
&rst
ixpk= 154, nxpk= 0, iat= 676, 681, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 54 HIE HB2 55 PHE H 3.92 (#peak 156 #SUP 0.96 #QF 0.96)
&rst
ixpk= 156, nxpk= 0, iat= 663, 676, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 54 HIE HB3 55 PHE H 3.96 (#peak 157 #SUP 0.96 #QF 0.96)
&rst
ixpk= 157, nxpk= 0, iat= 664, 676, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 55 PHE H 55 PHE HB2 4.14 (#peak 158 #SUP 0.97 #QF 0.97)
&rst
ixpk= 158, nxpk= 0, iat= 676, 680, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 42 VAL HA 54 HIE HE1 4.01 (#peak 159 #SUP 0.99 #QF 0.98)
&rst
ixpk= 159, nxpk= 0, iat= 482, 668, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 21 ASN H 54 HIE HA 3.48 (#peak 160 #SUP 0.57 #QF 0.57)
&rst
ixpk= 160, nxpk= 0, iat= 299, 661, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 9 SER HB3 10 ILE H 4.34 (#peak 167 #SUP 0.99 #QF 0.99)
&rst
ixpk= 167, nxpk= 0, iat= 117, 123, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 10 ILE H 10 ILE QG2 3.87 (#peak 168 #SUP 0.99 #QF 0.99)
&rst
ixpk= 168, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 129, 130, 131,
&end
#
# 10 ILE H 10 ILE QD1 3.80 (#peak 169 #SUP 0.99 #QF 0.99)
&rst
ixpk= 169, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 136, 137, 138,
&end
#
# 9 SER HA 10 ILE H 3.39 (#peak 171 #SUP 0.93 #QF 0.93)
&rst
ixpk= 171, nxpk= 0, iat= 114, 123, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 9 SER HB2 10 ILE H 4.34 (#peak 172 #SUP 0.95 #QF 0.95)
&rst
ixpk= 172, nxpk= 0, iat= 116, 123, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 9 SER HA 35 HIE HE1 3.24 (#peak 173 #SUP 0.23 #QF 0.23)
&rst
ixpk= 173, nxpk= 0, iat= 114, 389, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 10 ILE H 10 ILE HB 3.34 (#peak 174 #SUP 0.97 #QF 0.97)
&rst
ixpk= 174, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 13 LEU QB 14 TYR H 3.55 (#peak 175 #SUP 0.99 #QF 0.99)
&rst
ixpk= 175, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 167, 168,
&end
#
# 13 LEU HG 14 TYR H 4.60 (#peak 176 #SUP 0.97 #QF 0.97)
&rst
ixpk= 176, nxpk= 0, iat= 170, 182, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 14 TYR H 14 TYR QB 2.96 (#peak 177 #SUP 0.93 #QF 0.93)
&rst
ixpk= 177, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 186, 187,
&end
#
# 14 TYR QB 15 GLN H 3.61 (#peak 181 #SUP 0.99 #QF 0.99)
&rst
ixpk= 181, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 186, 187,
&end
#
# 49 CYX H 50 GLY H 3.34 (#peak 184 #SUP 1.00)
&rst
ixpk= 184, nxpk= 0, iat= 596, 606, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 46 TYR H 47 LEU H 3.42 (#peak 185 #SUP 0.99 #QF 0.99)
&rst
ixpk= 185, nxpk= 0, iat= 540, 561, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 43 GLU H 44 ALA H 3.23 (#peak 188 #SUP 0.99 #QF 0.99)
&rst
ixpk= 188, nxpk= 0, iat= 496, 511, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 44 ALA H 45 LEU H 3.15 (#peak 189 #SUP 0.98 #QF 0.98)
&rst
ixpk= 189, nxpk= 0, iat= 511, 521, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 16 LEU H 17 GLU H 3.40 (#peak 192 #SUP 0.98 #QF 0.98)
&rst
ixpk= 192, nxpk= 0, iat= 220, 239, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 15 GLN H 16 LEU H 3.28 (#peak 195 #SUP 1.00)
&rst
ixpk= 195, nxpk= 0, iat= 203, 220, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 14 TYR H 15 GLN H 3.72 (#peak 197 #SUP 0.99 #QF 0.99)
&rst
ixpk= 197, nxpk= 0, iat= 182, 203, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 46 TYR H 48 VAL H 4.49 (#peak 198 #SUP 0.95 #QF 0.95)
&rst
ixpk= 198, nxpk= 0, iat= 540, 580, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 46 TYR H 46 TYR QD 4.14 (#peak 199 #SUP 0.99 #QF 0.99)
&rst
ixpk= 199, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 548, 557,
&end
#
# 17 GLU H 18 ASN H 3.71 (#peak 201 #SUP 0.99 #QF 0.99)
&rst
ixpk= 201, nxpk= 0, iat= 239, 254, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 19 TYR H 20 CYX H 2.95 (#peak 203 #SUP 1.00)
&rst
ixpk= 203, nxpk= 0, iat= 268, 289, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 19 TYR H 19 TYR QD 3.10 (#peak 204 #SUP 0.99 #QF 0.98)
&rst
ixpk= 204, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 276, 285,
&end
#
# 42 VAL H 43 GLU H 3.51 (#peak 204 #SUP 0.99 #QF 0.98)
&rst
ixpk= 204, nxpk= 0, iat= 480, 496, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 18 ASN H 19 TYR H 3.29 (#peak 207 #SUP 0.99 #QF 0.99)
&rst
ixpk= 207, nxpk= 0, iat= 254, 268, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 17 GLU H 19 TYR H 4.63 (#peak 209 #SUP 0.90 #QF 0.84)
&rst
ixpk= 209, nxpk= 0, iat= 239, 268, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 43 GLU H 45 LEU H 5.10 (#peak 209 #SUP 0.90 #QF 0.84)
&rst
ixpk= 209, nxpk= 0, iat= 496, 521, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 43 GLU HA 46 TYR H 3.74 (#peak 210 #SUP 0.85 #QF 0.85)
&rst
ixpk= 210, nxpk= 0, iat= 498, 540, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 40 HIE HB3 40 HIE HE1 5.16 (#peak 212 #SUP 0.98 #QF 0.98)
&rst
ixpk= 212, nxpk= 0, iat= 449, 453, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 54 HIE HB3 54 HIE HD2 3.55 (#peak 213 #SUP 0.89 #QF 0.89)
&rst
ixpk= 213, nxpk= 0, iat= 664, 672, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 54 HIE HA 54 HIE HD2 4.67 (#peak 216 #SUP 1.00)
&rst
ixpk= 216, nxpk= 0, iat= 661, 672, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 20 CYX HA 54 HIE HD2 5.50 (#peak 217 #SUP 0.97 #QF 0.97)
&rst
ixpk= 217, nxpk= 0, iat= 291, 672, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 HIE HB3 40 HIE HD2 3.91 (#peak 219 #SUP 0.99 #QF 0.99)
&rst
ixpk= 219, nxpk= 0, iat= 449, 457, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 40 HIE HA 40 HIE HD2 3.28 (#peak 220 #SUP 0.74 #QF 0.74)
&rst
ixpk= 220, nxpk= 0, iat= 446, 457, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 3 VAL H 4 GLU H 4.87 (#peak 231 #SUP 0.98 #QF 0.98)
&rst
ixpk= 231, nxpk= 0, iat= 30, 46, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 21 ASN H 55 PHE H 4.95 (#peak 233 #SUP 0.92 #QF 0.92)
&rst
ixpk= 233, nxpk= 0, iat= 299, 676, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 20 CYX HA 55 PHE H 5.19 (#peak 234 #SUP 0.98 #QF 0.98)
&rst
ixpk= 234, nxpk= 0, iat= 291, 676, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 10 ILE QD1 35 HIE HE1 4.05 (#peak 236 #SUP 0.94 #QF 0.94)
&rst
ixpk= 236, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 136, 137, 138,
&end
#
# 10 ILE QD1 35 HIE HD2 3.76 (#peak 241 #SUP 0.87 #QF 0.87)
&rst
ixpk= 241, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 136, 137, 138,
&end
#
# 42 VAL H 42 VAL HB 3.42 (#peak 244 #SUP 0.82 #QF 0.82)
&rst
ixpk= 244, nxpk= 0, iat= 480, 484, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 42 VAL HB 43 GLU H 3.26 (#peak 245 #SUP 0.87 #QF 0.87)
&rst
ixpk= 245, nxpk= 0, iat= 484, 496, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 42 VAL QQG 43 GLU H 3.41 (#peak 246 #SUP 0.98 #QF 0.98)
&rst
ixpk= 246, nxpk= 0, iat= 483, 496, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 42 VAL H 42 VAL QQG 3.14 (#peak 247 #SUP 1.00)
&rst
ixpk= 247, nxpk= 0, iat= 480, 483, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 41 LEU HB3 42 VAL H 4.34 (#peak 248 #SUP 0.65 #QF 0.65)
&rst
ixpk= 248, nxpk= 0, iat= 466, 480, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 41 LEU HB2 42 VAL H 4.34 (#peak 249 #SUP 0.97 #QF 0.97)
&rst
ixpk= 249, nxpk= 0, iat= 465, 480, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 16 LEU H 16 LEU HB3 3.66 (#peak 250 #SUP 1.00)
&rst
ixpk= 250, nxpk= 0, iat= 220, 225, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 16 LEU H 16 LEU QD1 3.92 (#peak 251 #SUP 1.00)
&rst
ixpk= 251, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 229, 230, 231,
&end
#
# 16 LEU H 16 LEU HB2 3.43 (#peak 252 #SUP 1.00)
&rst
ixpk= 252, nxpk= 0, iat= 220, 224, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 17 GLU HB3 18 ASN H 3.95 (#peak 253 #SUP 0.95 #QF 0.95)
&rst
ixpk= 253, nxpk= 0, iat= 244, 254, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 17 GLU HB2 18 ASN H 3.95 (#peak 254 #SUP 0.97 #QF 0.97)
&rst
ixpk= 254, nxpk= 0, iat= 243, 254, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 51 GLU QG 52 ARG H 4.37 (#peak 258 #SUP 0.95 #QF 0.95)
&rst
ixpk= 258, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 620, 621,
&end
#
# 31 PHE QE 47 LEU HB2 4.51 (#peak 259 #SUP 0.99 #QF 0.92)
&rst
ixpk= 259, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 323, 327,
&end
#
# 32 VAL HB 34 GLN HE21 5.43 (#peak 260 #SUP 0.91 #QF 0.24)
&rst
ixpk= 260, nxpk= 0, iat= 337, 375, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 36 LEU QD2 37 CYX H 5.09 (#peak 261 #SUP 0.95 #QF 0.95)
&rst
ixpk= 261, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 410, 411, 412,
&end
#
# 36 LEU QD1 37 CYX H 5.09 (#peak 262 #SUP 0.98 #QF 0.98)
&rst
ixpk= 262, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 406, 407, 408,
&end
#
# 36 LEU QD2 44 ALA H 5.33 (#peak 263 #SUP 0.87 #QF 0.29)
&rst
ixpk= 263, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 410, 411, 412,
&end
#
# 44 ALA H 45 LEU HB2 5.50 (#peak 263 #SUP 0.87 #QF 0.29)
&rst
ixpk= 263, nxpk= 0, iat= 511, 525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LEU H 41 LEU QD1 4.85 (#peak 264 #SUP 0.96 #QF 0.96)
&rst
ixpk= 264, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 470, 471, 472,
&end
#
# 41 LEU H 41 LEU QD2 4.85 (#peak 265 #SUP 0.96 #QF 0.96)
&rst
ixpk= 265, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 474, 475, 476,
&end
#
# 45 LEU QD1 56 TYR H 5.50 (#peak 266 #SUP 0.96 #QF 0.93)
&rst
ixpk= 266, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 530, 531, 532,
&end
#
# 45 LEU QD1 54 HIE HD2 4.72 (#peak 268 #SUP 0.83 #QF 0.83)
&rst
ixpk= 268, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 530, 531, 532,
&end
#
# 19 TYR QE 45 LEU QD1 5.50 (#peak 272 #SUP 0.85 #QF 0.85)
&rst
ixpk= 272, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 278, 283,
igr2= 530, 531, 532,
&end
#
# 45 LEU QD2 54 HIE HD2 4.72 (#peak 273 #SUP 0.95 #QF 0.95)
&rst
ixpk= 273, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 534, 535, 536,
&end
#
# 45 LEU H 45 LEU QD1 4.36 (#peak 274 #SUP 0.99 #QF 0.99)
&rst
ixpk= 274, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 530, 531, 532,
&end
#
# 16 LEU H 16 LEU HG 3.11 (#peak 276 #SUP 0.98 #QF 0.98)
&rst
ixpk= 276, nxpk= 0, iat= 220, 227, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 31 PHE HA 31 PHE QD 3.58 (#peak 281 #SUP 0.88 #QF 0.88)
&rst
ixpk= 281, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 321, 329,
&end
#
# 56 TYR HA 56 TYR QE 4.72 (#peak 284 #SUP 0.99 #QF 0.99)
&rst
ixpk= 284, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 706, 711,
&end
#
# 56 TYR HA 56 TYR QD 3.04 (#peak 285 #SUP 0.81 #QF 0.81)
&rst
ixpk= 285, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 704, 713,
&end
#
# 36 LEU H 36 LEU HG 4.99 (#peak 286 #SUP 0.80 #QF 0.80)
&rst
ixpk= 286, nxpk= 0, iat= 397, 404, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 16 LEU QD1 49 CYX H 5.50 (#peak 290 #SUP 0.34 #QF 0.34)
&rst
ixpk= 290, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 229, 230, 231,
&end
#
# 45 LEU HA 49 CYX H 3.91 (#peak 291 #SUP 0.94 #QF 0.94)
&rst
ixpk= 291, nxpk= 0, iat= 523, 596, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 47 LEU HA 49 CYX H 5.06 (#peak 293 #SUP 0.98 #QF 0.98)
&rst
ixpk= 293, nxpk= 0, iat= 563, 596, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 46 TYR HA 49 CYX H 4.25 (#peak 295 #SUP 0.97 #QF 0.97)
&rst
ixpk= 295, nxpk= 0, iat= 542, 596, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 47 LEU H 49 CYX H 4.84 (#peak 296 #SUP 0.98 #QF 0.98)
&rst
ixpk= 296, nxpk= 0, iat= 561, 596, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 48 VAL H 50 GLY H 4.73 (#peak 298 #SUP 0.91 #QF 0.91)
&rst
ixpk= 298, nxpk= 0, iat= 580, 606, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 55 PHE H 55 PHE QD 3.99 (#peak 299 #SUP 0.97 #QF 0.97)
&rst
ixpk= 299, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 684, 692,
&end
#
# 17 GLU H 19 TYR QD 4.90 (#peak 300 #SUP 0.96 #QF 0.71)
&rst
ixpk= 300, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 276, 285,
&end
#
# 21 ASN H 55 PHE QD 5.19 (#peak 300 #SUP 0.96 #QF 0.71)
&rst
ixpk= 300, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 684, 692,
&end
#
# 46 TYR QE 52 ARG H 5.11 (#peak 301 #SUP 0.35 #QF 0.35)
&rst
ixpk= 301, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 550, 555,
&end
#
# 21 ASN H 21 ASN HD21 4.59 (#peak 303 #SUP 0.92 #QF 0.82)
&rst
ixpk= 303, nxpk= 0, iat= 299, 308, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 52 ARG H 53 GLY H 4.86 (#peak 303 #SUP 0.92 #QF 0.82)
&rst
ixpk= 303, nxpk= 0, iat= 628, 652, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 53 GLY H 54 HIE H 4.68 (#peak 305 #SUP 0.84 #QF 0.84)
&rst
ixpk= 305, nxpk= 0, iat= 652, 659, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 41 LEU H 43 GLU H 4.74 (#peak 306 #SUP 0.78 #QF 0.78)
&rst
ixpk= 306, nxpk= 0, iat= 461, 496, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 16 LEU H 19 TYR QD 4.80 (#peak 308 #SUP 0.81 #QF 0.81)
&rst
ixpk= 308, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 276, 285,
&end
#
# 40 HIE H 41 LEU H 5.16 (#peak 309 #SUP 0.86 #QF 0.86)
&rst
ixpk= 309, nxpk= 0, iat= 444, 461, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 16 LEU H 18 ASN H 4.71 (#peak 310 #SUP 0.98 #QF 0.98)
&rst
ixpk= 310, nxpk= 0, iat= 220, 254, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 14 TYR H 16 LEU H 4.99 (#peak 311 #SUP 0.97 #QF 0.97)
&rst
ixpk= 311, nxpk= 0, iat= 182, 220, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 43 GLU H 54 HIE HE1 5.50 (#peak 312 #SUP 0.75 #QF 0.75)
&rst
ixpk= 312, nxpk= 0, iat= 496, 668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 TYR H 19 TYR QE 4.37 (#peak 313 #SUP 0.99 #QF 0.99)
&rst
ixpk= 313, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 278, 283,
&end
#
# 16 LEU H 19 TYR QE 5.19 (#peak 314 #SUP 0.98 #QF 0.98)
&rst
ixpk= 314, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 278, 283,
&end
#
# 46 TYR H 54 HIE HD2 4.57 (#peak 315 #SUP 0.98 #QF 0.98)
&rst
ixpk= 315, nxpk= 0, iat= 540, 672, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 21 ASN H 21 ASN HD22 4.67 (#peak 316 #SUP 0.88 #QF 0.88)
&rst
ixpk= 316, nxpk= 0, iat= 299, 309, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 54 HIE H 54 HIE HD2 4.89 (#peak 317 #SUP 0.99 #QF 0.99)
&rst
ixpk= 317, nxpk= 0, iat= 659, 672, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 31 PHE QE 44 ALA H 5.50 (#peak 320 #SUP 0.96 #QF 0.84)
&rst
ixpk= 320, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 323, 327,
&end
#
# 46 TYR QD 50 GLY H 5.50 (#peak 320 #SUP 0.96 #QF 0.84)
&rst
ixpk= 320, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 548, 557,
&end
#
# 42 VAL H 44 ALA H 4.66 (#peak 321 #SUP 0.79 #QF 0.79)
&rst
ixpk= 321, nxpk= 0, iat= 480, 511, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 14 TYR H 14 TYR QD 3.51 (#peak 322 #SUP 0.98 #QF 0.98)
&rst
ixpk= 322, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 190, 199,
&end
#
# 46 TYR QD 47 LEU H 4.26 (#peak 323 #SUP 1.00 #QF 0.21)
&rst
ixpk= 323, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 548, 557,
&end
#
# 55 PHE QD 56 TYR H 4.76 (#peak 324 #SUP 0.94 #QF 0.94)
&rst
ixpk= 324, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 684, 692,
&end
#
# 54 HIE HE1 56 TYR QD 3.89 (#peak 325 #SUP 0.96 #QF 0.96)
&rst
ixpk= 325, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 704, 713,
&end
#
# 14 TYR H 14 TYR QE 4.78 (#peak 326 #SUP 0.95 #QF 0.56)
&rst
ixpk= 326, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 192, 197,
&end
#
# 56 TYR QD 57 THR H 4.94 (#peak 326 #SUP 0.95 #QF 0.56)
&rst
ixpk= 326, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 704, 713,
&end
#
# 54 HIE HE1 56 TYR QE 5.43 (#peak 327 #SUP 0.98 #QF 0.98)
&rst
ixpk= 327, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 706, 711,
&end
#
# 14 TYR QD 15 GLN H 4.11 (#peak 336 #SUP 1.00)
&rst
ixpk= 336, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 190, 199,
&end
#
# 19 TYR QD 20 CYX H 4.85 (#peak 337 #SUP 0.99 #QF 0.99)
&rst
ixpk= 337, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 276, 285,
&end
#
# 46 TYR QD 54 HIE HD2 4.27 (#peak 342 #SUP 0.81 #QF 0.81)
&rst
ixpk= 342, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 548, 557,
&end
#
# 42 VAL H 56 TYR QE 4.30 (#peak 343 #SUP 0.61 #QF 0.61)
&rst
ixpk= 343, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 706, 711,
&end
#
# 49 CYX H 54 HIE HD2 4.98 (#peak 351 #SUP 1.00)
&rst
ixpk= 351, nxpk= 0, iat= 596, 672, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 35 HIE H 35 HIE HD2 5.03 (#peak 353 #SUP 0.48 #QF 0.48)
&rst
ixpk= 353, nxpk= 0, iat= 380, 393, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 37 CYX H 40 HIE HD2 5.50 (#peak 354 #SUP 0.94 #QF 0.94)
&rst
ixpk= 354, nxpk= 0, iat= 416, 457, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 SER H 16 LEU QD1 4.86 (#peak 355 #SUP 0.55 #QF 0.55)
&rst
ixpk= 355, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 229, 230, 231,
&end
#
# 2 ILE QD1 19 TYR H 5.29 (#peak 357 #SUP 0.97 #QF 0.97)
&rst
ixpk= 357, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 24, 25, 26,
&end
#
# 2 ILE QD1 55 PHE QE 5.36 (#peak 358 #SUP 0.78 #QF 0.78)
&rst
ixpk= 358, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 24, 25, 26,
igr2= 686, 690,
&end
#
# 2 ILE QD1 19 TYR QD 3.58 (#peak 359 #SUP 0.99 #QF 0.99)
&rst
ixpk= 359, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 24, 25, 26,
igr2= 276, 285,
&end
#
# 2 ILE QD1 56 TYR QD 5.31 (#peak 360 #SUP 1.00 #QF 0.56)
&rst
ixpk= 360, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 24, 25, 26,
igr2= 704, 713,
&end
#
# 41 LEU QD2 56 TYR QD 5.50 (#peak 360 #SUP 1.00 #QF 0.56)
&rst
ixpk= 360, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 474, 475, 476,
igr2= 704, 713,
&end
#
# 2 ILE QD1 19 TYR QE 3.79 (#peak 361 #SUP 1.00)
&rst
ixpk= 361, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 24, 25, 26,
igr2= 278, 283,
&end
#
# 41 LEU QD2 56 TYR QE 4.54 (#peak 362 #SUP 0.94 #QF 0.94)
&rst
ixpk= 362, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 474, 475, 476,
igr2= 706, 711,
&end
#
# 45 LEU QD2 56 TYR H 5.50 (#peak 365 #SUP 0.75 #QF 0.40)
&rst
ixpk= 365, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 534, 535, 536,
&end
#
# 2 ILE QG2 56 TYR QD 4.27 (#peak 370 #SUP 0.83 #QF 0.34)
&rst
ixpk= 370, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 17, 18, 19,
igr2= 704, 713,
&end
#
# 41 LEU QD1 56 TYR QD 5.50 (#peak 370 #SUP 0.83 #QF 0.34)
&rst
ixpk= 370, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 470, 471, 472,
igr2= 704, 713,
&end
#
# 2 ILE QG2 56 TYR QE 4.41 (#peak 371 #SUP 0.75 #QF 0.28)
&rst
ixpk= 371, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 17, 18, 19,
igr2= 706, 711,
&end
#
# 41 LEU QD1 56 TYR QE 4.54 (#peak 371 #SUP 0.75 #QF 0.28)
&rst
ixpk= 371, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 470, 471, 472,
igr2= 706, 711,
&end
#
# 19 TYR QE 45 LEU QD2 5.50 (#peak 372 #SUP 0.97 #QF 0.45)
&rst
ixpk= 372, 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
#
# 16 LEU QD1 48 VAL H 4.89 (#peak 374 #SUP 0.92 #QF 0.92)
&rst
ixpk= 374, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 229, 230, 231,
&end
#
# 42 VAL QQG 46 TYR H 4.01 (#peak 377 #SUP 0.24 #QF 0.24)
&rst
ixpk= 377, nxpk= 0, iat= 483, 540, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, &end
#
# 17 GLU H 48 VAL QG1 3.90 (#peak 378 #SUP 0.92 #QF 0.92)
&rst
ixpk= 378, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 586, 587, 588,
&end
#
# 45 LEU H 45 LEU HB2 3.50 (#peak 379 #SUP 0.96 #QF 0.95)
&rst
ixpk= 379, nxpk= 0, iat= 521, 525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 LEU QD2 19 TYR H 5.01 (#peak 380 #SUP 0.93 #QF 0.93)
&rst
ixpk= 380, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 233, 234, 235,
&end
#
# 16 LEU H 48 VAL QG1 4.26 (#peak 381 #SUP 0.95 #QF 0.95)
&rst
ixpk= 381, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 586, 587, 588,
&end
#
# 16 LEU H 16 LEU QD2 3.61 (#peak 382 #SUP 0.93 #QF 0.93)
&rst
ixpk= 382, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 233, 234, 235,
&end
#
# 42 VAL QQG 44 ALA H 4.64 (#peak 384 #SUP 0.96 #QF 0.96)
&rst
ixpk= 384, nxpk= 0, iat= 483, 511, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34, &end
#
# 36 LEU QD1 44 ALA H 5.33 (#peak 385 #SUP 0.70 #QF 0.70)
&rst
ixpk= 385, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 406, 407, 408,
&end
#
# 16 LEU QD1 44 ALA H 4.82 (#peak 386 #SUP 0.98 #QF 0.98)
&rst
ixpk= 386, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 229, 230, 231,
&end
#
# 13 LEU QD1 14 TYR H 4.84 (#peak 387 #SUP 1.00)
&rst
ixpk= 387, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 172, 173, 174,
&end
#
# 13 LEU QD2 14 TYR H 4.84 (#peak 388 #SUP 1.00)
&rst
ixpk= 388, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 176, 177, 178,
&end
#
# 42 VAL QQG 54 HIE HE1 3.20 (#peak 389 #SUP 0.79 #QF 0.79)
&rst
ixpk= 389, nxpk= 0, iat= 483, 668, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 32 VAL QQG 34 GLN HE21 4.52 (#peak 391 #SUP 0.97 #QF 0.97)
&rst
ixpk= 391, nxpk= 0, iat= 336, 375, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22, &end
#
# 16 LEU QD1 31 PHE QE 3.17 (#peak 393 #SUP 0.90 #QF 0.90)
&rst
ixpk= 393, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 229, 230, 231,
igr2= 323, 327,
&end
#
# 16 LEU QD2 31 PHE QE 4.94 (#peak 394 #SUP 0.99 #QF 0.99)
&rst
ixpk= 394, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 233, 234, 235,
igr2= 323, 327,
&end
#
# 16 LEU QD1 31 PHE HZ 3.65 (#peak 395 #SUP 0.92 #QF 0.92)
&rst
ixpk= 395, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 229, 230, 231,
&end
#
# 16 LEU QD2 19 TYR QD 3.43 (#peak 397 #SUP 0.97 #QF 0.97)
&rst
ixpk= 397, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 233, 234, 235,
igr2= 276, 285,
&end
#
# 31 PHE HZ 48 VAL QG2 3.65 (#peak 399 #SUP 0.94 #QF 0.94)
&rst
ixpk= 399, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 590, 591, 592,
&end
#
# 31 PHE HZ 48 VAL QG1 5.07 (#peak 400 #SUP 0.90 #QF 0.60)
&rst
ixpk= 400, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 586, 587, 588,
&end
#
# 31 PHE QE 48 VAL QG2 3.17 (#peak 401 #SUP 0.84 #QF 0.84)
&rst
ixpk= 401, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 323, 327,
igr2= 590, 591, 592,
&end
#
# 41 LEU H 42 VAL QQG 4.48 (#peak 405 #SUP 0.85 #QF 0.85)
&rst
ixpk= 405, nxpk= 0, iat= 461, 483, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, &end
#
# 13 LEU QD2 14 TYR QE 4.33 (#peak 406 #SUP 0.93 #QF 0.89)
&rst
ixpk= 406, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 176, 177, 178,
igr2= 192, 197,
&end
#
# 32 VAL QQG 33 ASN HD21 4.86 (#peak 406 #SUP 0.93 #QF 0.89)
&rst
ixpk= 406, nxpk= 0, iat= 336, 358, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, &end
#
# 42 VAL QQG 56 TYR QD 3.38 (#peak 408 #SUP 0.95 #QF 0.95)
&rst
ixpk= 408, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 704, 713,
&end
#
# 16 LEU QD2 19 TYR QE 3.62 (#peak 412 #SUP 0.98 #QF 0.98)
&rst
ixpk= 412, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 233, 234, 235,
igr2= 278, 283,
&end
#
# 42 VAL QQG 56 TYR QE 3.23 (#peak 413 #SUP 0.93 #QF 0.93)
&rst
ixpk= 413, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 706, 711,
&end
#
# 3 VAL QG1 56 TYR QE 4.32 (#peak 414 #SUP 0.84 #QF 0.84)
&rst
ixpk= 414, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 36, 37, 38,
igr2= 706, 711,
&end
#
# 3 VAL QG2 56 TYR QE 4.32 (#peak 415 #SUP 0.91 #QF 0.91)
&rst
ixpk= 415, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 40, 41, 42,
igr2= 706, 711,
&end
#
# 45 LEU HB2 54 HIE HD2 4.09 (#peak 416 #SUP 0.97 #QF 0.97)
&rst
ixpk= 416, nxpk= 0, iat= 525, 672, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 42 VAL QQG 54 HIE HD2 4.92 (#peak 417 #SUP 0.89 #QF 0.89)
&rst
ixpk= 417, nxpk= 0, iat= 483, 672, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, &end
#
# 45 LEU HB3 54 HIE HD2 4.41 (#peak 418 #SUP 0.96 #QF 0.96)
&rst
ixpk= 418, nxpk= 0, iat= 526, 672, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 41 LEU HB3 56 TYR QE 4.29 (#peak 419 #SUP 0.73 #QF 0.73)
&rst
ixpk= 419, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 706, 711,
&end
#
# 2 ILE HB 19 TYR QE 4.15 (#peak 420 #SUP 0.47 #QF 0.47)
&rst
ixpk= 420, nxpk= 0, iat= 15, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 278, 283,
&end
#
# 56 TYR QD 57 THR QG2 5.20 (#peak 421 #SUP 0.86 #QF 0.86)
&rst
ixpk= 421, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 704, 713,
igr2= 723, 724, 725,
&end
#
# 43 GLU H 44 ALA QB 4.45 (#peak 424 #SUP 0.99 #QF 0.99)
&rst
ixpk= 424, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 515, 516, 517,
&end
#
# 45 LEU H 45 LEU HG 3.18 (#peak 425 #SUP 0.86 #QF 0.86)
&rst
ixpk= 425, nxpk= 0, iat= 521, 528, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 31 PHE HZ 44 ALA QB 4.26 (#peak 426 #SUP 1.00)
&rst
ixpk= 426, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 515, 516, 517,
&end
#
# 31 PHE QE 44 ALA QB 3.71 (#peak 427 #SUP 1.00)
&rst
ixpk= 427, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 323, 327,
igr2= 515, 516, 517,
&end
#
# 31 PHE QD 44 ALA QB 3.81 (#peak 428 #SUP 0.98 #QF 0.98)
&rst
ixpk= 428, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 321, 329,
igr2= 515, 516, 517,
&end
#
# 16 LEU HB2 19 TYR QD 5.25 (#peak 429 #SUP 0.66 #QF 0.42)
&rst
ixpk= 429, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 276, 285,
&end
#
# 19 TYR QD 45 LEU HG 5.50 (#peak 429 #SUP 0.66 #QF 0.42)
&rst
ixpk= 429, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 276, 285,
&end
#
# 13 LEU QB 14 TYR QD 4.54 (#peak 430 #SUP 0.99 #QF 0.99)
&rst
ixpk= 430, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 167, 168,
igr2= 190, 199,
&end
#
# 13 LEU QB 31 PHE QE 4.70 (#peak 431 #SUP 0.85 #QF 0.85)
&rst
ixpk= 431, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 167, 168,
igr2= 323, 327,
&end
#
# 31 PHE QE 47 LEU HB3 4.51 (#peak 433 #SUP 0.92 #QF 0.92)
&rst
ixpk= 433, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 323, 327,
&end
#
# 15 GLN H 16 LEU HG 4.64 (#peak 434 #SUP 0.93 #QF 0.93)
&rst
ixpk= 434, nxpk= 0, iat= 203, 227, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 56 TYR QE 58 PRO QG 3.81 (#peak 435 #SUP 0.99 #QF 0.99)
&rst
ixpk= 435, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 706, 711,
igr2= 735, 736,
&end
#
# 41 LEU HB2 56 TYR QE 4.29 (#peak 436 #SUP 0.98 #QF 0.98)
&rst
ixpk= 436, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 706, 711,
&end
#
# 52 ARG H 52 ARG QG 3.45 (#peak 437 #SUP 0.89 #QF 0.89)
&rst
ixpk= 437, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 635, 636,
&end
#
# 36 LEU HB2 37 CYX H 4.94 (#peak 438 #SUP 0.98 #QF 0.98)
&rst
ixpk= 438, nxpk= 0, iat= 401, 416, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 16 LEU HB3 19 TYR H 5.30 (#peak 439 #SUP 0.95 #QF 0.81)
&rst
ixpk= 439, nxpk= 0, iat= 225, 268, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 15 GLN HB2 16 LEU H 4.38 (#peak 440 #SUP 1.00)
&rst
ixpk= 440, nxpk= 0, iat= 207, 220, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 15 GLN HB3 16 LEU H 3.67 (#peak 441 #SUP 0.88 #QF 0.88)
&rst
ixpk= 441, nxpk= 0, iat= 208, 220, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 15 GLN H 15 GLN HG2 4.17 (#peak 442 #SUP 0.86 #QF 0.49)
&rst
ixpk= 442, nxpk= 0, iat= 203, 210, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 15 GLN H 15 GLN HG3 4.17 (#peak 443 #SUP 0.98 #QF 0.98)
&rst
ixpk= 443, nxpk= 0, iat= 203, 211, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 15 GLN H 15 GLN HB2 3.51 (#peak 444 #SUP 0.88 #QF 0.88)
&rst
ixpk= 444, nxpk= 0, iat= 203, 207, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 15 GLN H 15 GLN HB3 3.73 (#peak 445 #SUP 0.95 #QF 0.95)
&rst
ixpk= 445, nxpk= 0, iat= 203, 208, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 43 GLU QB 46 TYR QD 4.60 (#peak 449 #SUP 0.87 #QF 0.87)
&rst
ixpk= 449, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 500, 501,
igr2= 548, 557,
&end
#
# 40 HIE HD2 43 GLU QB 4.99 (#peak 451 #SUP 0.43 #QF 0.43)
&rst
ixpk= 451, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 500, 501,
&end
#
# 16 LEU HB3 19 TYR QD 4.60 (#peak 452 #SUP 0.75 #QF 0.75)
&rst
ixpk= 452, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 276, 285,
&end
#
# 14 TYR QD 15 GLN HB3 4.91 (#peak 454 #SUP 1.00)
&rst
ixpk= 454, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 190, 199,
&end
#
# 56 TYR QD 58 PRO QG 4.60 (#peak 458 #SUP 0.88 #QF 0.88)
&rst
ixpk= 458, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 704, 713,
igr2= 735, 736,
&end
#
# 15 GLN HB3 19 TYR QE 4.35 (#peak 459 #SUP 0.38 #QF 0.38)
&rst
ixpk= 459, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 278, 283,
&end
#
# 14 TYR QE 15 GLN HB2 4.54 (#peak 463 #SUP 0.89 #QF 0.89)
&rst
ixpk= 463, nxpk= 0, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 192, 197,
&end
#
# 56 TYR QE 58 PRO HB2 4.60 (#peak 465 #SUP 0.99 #QF 0.99)
&rst
ixpk= 465, nxpk= 0, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 706, 711,
&end
#
# 56 TYR QE 58 PRO HB3 4.60 (#peak 466 #SUP 0.99 #QF 0.99)
&rst
ixpk= 466, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 706, 711,
&end
#
# 18 ASN HB2 19 TYR QD 4.86 (#peak 471 #SUP 0.95 #QF 0.95)
&rst
ixpk= 471, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 276, 285,
&end
#
# 18 ASN HB3 19 TYR QD 4.79 (#peak 472 #SUP 1.00)
&rst
ixpk= 472, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 276, 285,
&end
#
# 18 ASN HB3 20 CYX H 5.35 (#peak 473 #SUP 0.94 #QF 0.94)
&rst
ixpk= 473, nxpk= 0, iat= 259, 289, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 19 TYR HB2 55 PHE QE 4.94 (#peak 475 #SUP 0.63 #QF 0.63)
&rst
ixpk= 475, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 686, 690,
&end
#
# 56 TYR QE 58 PRO HD2 4.63 (#peak 478 #SUP 0.92 #QF 0.92)
&rst
ixpk= 478, nxpk= 0, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 706, 711,
&end
#
# 56 TYR QE 58 PRO HD3 4.19 (#peak 479 #SUP 0.98 #QF 0.98)
&rst
ixpk= 479, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 706, 711,
&end
#
# 42 VAL HA 56 TYR QE 4.22 (#peak 480 #SUP 1.00)
&rst
ixpk= 480, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 706, 711,
&end
#
# 42 VAL HA 54 HIE HD2 5.46 (#peak 482 #SUP 0.70 #QF 0.70)
&rst
ixpk= 482, nxpk= 0, iat= 482, 672, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 49 CYX HB3 54 HIE HD2 3.96 (#peak 483 #SUP 0.74 #QF 0.74)
&rst
ixpk= 483, nxpk= 0, iat= 601, 672, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 19 TYR HB3 20 CYX H 4.66 (#peak 484 #SUP 0.96 #QF 0.96)
&rst
ixpk= 484, nxpk= 0, iat= 273, 289, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 42 VAL HA 44 ALA H 4.61 (#peak 485 #SUP 0.99 #QF 0.99)
&rst
ixpk= 485, nxpk= 0, iat= 482, 511, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 42 VAL HA 56 TYR QD 4.15 (#peak 486 #SUP 0.96 #QF 0.96)
&rst
ixpk= 486, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 704, 713,
&end
#
# 45 LEU HA 47 LEU H 4.99 (#peak 487 #SUP 0.99 #QF 0.99)
&rst
ixpk= 487, nxpk= 0, iat= 523, 561, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 15 GLN HA 17 GLU H 4.62 (#peak 488 #SUP 0.91 #QF 0.51)
&rst
ixpk= 488, nxpk= 0, iat= 205, 239, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 41 LEU HA 45 LEU H 4.96 (#peak 488 #SUP 0.91 #QF 0.51)
&rst
ixpk= 488, nxpk= 0, iat= 463, 521, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 14 TYR HA 17 GLU H 4.39 (#peak 492 #SUP 0.66 #QF 0.66)
&rst
ixpk= 492, nxpk= 0, iat= 184, 239, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 44 ALA HA 46 TYR H 4.65 (#peak 493 #SUP 0.85 #QF 0.85)
&rst
ixpk= 493, nxpk= 0, iat= 513, 540, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 19 TYR H 20 CYX HA 4.70 (#peak 495 #SUP 0.94 #QF 0.94)
&rst
ixpk= 495, nxpk= 0, iat= 268, 291, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 54 HIE HA 55 PHE QD 4.50 (#peak 496 #SUP 0.64 #QF 0.64)
&rst
ixpk= 496, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 684, 692,
&end
#
# 12 SER HA 31 PHE QE 4.66 (#peak 498 #SUP 0.86 #QF 0.86)
&rst
ixpk= 498, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 323, 327,
&end
#
# 55 PHE QD 56 TYR HA 3.77 (#peak 500 #SUP 0.62 #QF 0.62)
&rst
ixpk= 500, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 684, 692,
&end
#
# 46 TYR HA 54 HIE HD2 3.46 (#peak 502 #SUP 0.79 #QF 0.79)
&rst
ixpk= 502, nxpk= 0, iat= 542, 672, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 56 TYR QE 57 THR HA 5.44 (#peak 503 #SUP 0.94 #QF 0.94)
&rst
ixpk= 503, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 706, 711,
&end
#
# 56 TYR QD 57 THR HA 4.77 (#peak 504 #SUP 0.92 #QF 0.92)
&rst
ixpk= 504, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 704, 713,
&end
#
# 35 HIE HA 35 HIE HD2 4.37 (#peak 505 #SUP 0.99 #QF 0.99)
&rst
ixpk= 505, nxpk= 0, iat= 382, 393, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 56 TYR QE 58 PRO HA 4.39 (#peak 507 #SUP 0.98 #QF 0.98)
&rst
ixpk= 507, nxpk= 0, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 706, 711,
&end
#
# 16 LEU HA 19 TYR QE 3.31 (#peak 508 #SUP 0.98 #QF 0.98)
&rst
ixpk= 508, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 278, 283,
&end
#
# 46 TYR QE 47 LEU HA 4.44 (#peak 510 #SUP 0.49 #QF 0.49)
&rst
ixpk= 510, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 550, 555,
&end
#
# 46 TYR QE 51 GLU HA 4.38 (#peak 511 #SUP 0.72 #QF 0.72)
&rst
ixpk= 511, nxpk= 0, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 550, 555,
&end
#
# 12 SER HB2 14 TYR QE 4.38 (#peak 512 #SUP 0.92 #QF 0.92)
&rst
ixpk= 512, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 192, 197,
&end
#
# 12 SER HB3 14 TYR QE 4.38 (#peak 513 #SUP 0.79 #QF 0.79)
&rst
ixpk= 513, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 192, 197,
&end
#
# 2 ILE HA 19 TYR QE 4.04 (#peak 514 #SUP 0.84 #QF 0.84)
&rst
ixpk= 514, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 278, 283,
&end
#
# 45 LEU HA 54 HIE HD2 4.47 (#peak 515 #SUP 0.56 #QF 0.56)
&rst
ixpk= 515, nxpk= 0, iat= 523, 672, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 12 SER HB2 14 TYR H 4.11 (#peak 516 #SUP 0.96 #QF 0.96)
&rst
ixpk= 516, nxpk= 0, iat= 156, 182, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 40 HIE HA 44 ALA H 4.26 (#peak 517 #SUP 0.74 #QF 0.74)
&rst
ixpk= 517, nxpk= 0, iat= 446, 511, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 46 TYR HA 50 GLY H 3.98 (#peak 518 #SUP 0.85 #QF 0.85)
&rst
ixpk= 518, nxpk= 0, iat= 542, 606, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 21 ASN HA 21 ASN HD21 4.59 (#peak 519 #SUP 0.96 #QF 0.96)
&rst
ixpk= 519, nxpk= 0, iat= 301, 308, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 18 ASN HA 20 CYX H 3.79 (#peak 520 #SUP 0.83 #QF 0.83)
&rst
ixpk= 520, nxpk= 0, iat= 256, 289, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 19 TYR HA 55 PHE QE 3.37 (#peak 521 #SUP 0.28 #QF 0.28)
&rst
ixpk= 521, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 686, 690,
&end
#
# 14 TYR HA 18 ASN H 5.50 (#peak 522 #SUP 0.95 #QF 0.80)
&rst
ixpk= 522, nxpk= 0, iat= 184, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ASN H 19 TYR HA 5.50 (#peak 522 #SUP 0.95 #QF 0.80)
&rst
ixpk= 522, nxpk= 0, iat= 254, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLN H 16 LEU HA 5.22 (#peak 525 #SUP 0.96 #QF 0.96)
&rst
ixpk= 525, nxpk= 0, iat= 203, 222, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 17 GLU HA 20 CYX H 3.73 (#peak 526 #SUP 0.89 #QF 0.89)
&rst
ixpk= 526, nxpk= 0, iat= 241, 289, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 16 LEU HA 18 ASN H 4.35 (#peak 527 #SUP 0.87 #QF 0.87)
&rst
ixpk= 527, nxpk= 0, iat= 222, 254, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 15 GLN HA 18 ASN H 4.21 (#peak 528 #SUP 0.94 #QF 0.94)
&rst
ixpk= 528, nxpk= 0, iat= 205, 254, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 46 TYR QD 51 GLU HA 4.97 (#peak 529 #SUP 0.84 #QF 0.84)
&rst
ixpk= 529, nxpk= 0, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 548, 557,
&end
#
# 43 GLU HA 46 TYR QD 3.78 (#peak 530 #SUP 0.96 #QF 0.92)
&rst
ixpk= 530, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 548, 557,
&end
#
# 46 TYR QD 47 LEU HA 4.10 (#peak 530 #SUP 0.96 #QF 0.92)
&rst
ixpk= 530, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 548, 557,
&end
#
# 31 PHE QE 44 ALA HA 4.32 (#peak 531 #SUP 0.98 #QF 0.98)
&rst
ixpk= 531, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 323, 327,
&end
#
# 16 LEU HA 19 TYR QD 2.79 (#peak 532 #SUP 0.93 #QF 0.93)
&rst
ixpk= 532, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2= 276, 285,
&end
#
# 15 GLN HA 18 ASN HD22 4.62 (#peak 537 #SUP 0.91 #QF 0.91)
&rst
ixpk= 537, nxpk= 0, iat= 205, 264, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 31 PHE HZ 44 ALA HA 4.59 (#peak 538 #SUP 0.99 #QF 0.99)
&rst
ixpk= 538, nxpk= 0, iat= 325, 513, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 13 LEU HA 16 LEU H 3.56 (#peak 539 #SUP 0.62 #QF 0.62)
&rst
ixpk= 539, nxpk= 0, iat= 165, 220, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 17 GLU HA 19 TYR H 3.76 (#peak 541 #SUP 0.94 #QF 0.94)
&rst
ixpk= 541, nxpk= 0, iat= 241, 268, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 14 TYR HA 16 LEU H 5.06 (#peak 542 #SUP 1.00)
&rst
ixpk= 542, nxpk= 0, iat= 184, 220, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 15 GLN HA 18 ASN HD21 4.62 (#peak 545 #SUP 0.89 #QF 0.89)
&rst
ixpk= 545, nxpk= 0, iat= 205, 263, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 13 LEU QB 14 TYR QE 5.50 (#peak 546 #SUP 0.99 #QF 0.99)
&rst
ixpk= 546, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 167, 168,
igr2= 192, 197,
&end
#
# 44 ALA QB 48 VAL H 4.93 (#peak 548 #SUP 0.85 #QF 0.85)
&rst
ixpk= 548, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 515, 516, 517,
&end
#
# 13 LEU QD1 14 TYR QE 4.33 (#peak 549 #SUP 0.80 #QF 0.80)
&rst
ixpk= 549, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 172, 173, 174,
igr2= 192, 197,
&end
#
# 32 VAL QQG 33 ASN HD22 4.86 (#peak 553 #SUP 0.86 #QF 0.86)
&rst
ixpk= 553, nxpk= 0, iat= 336, 359, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, &end
#
# 21 ASN HA 21 ASN HD22 5.21 (#peak 554 #SUP 0.99 #QF 0.99)
&rst
ixpk= 554, nxpk= 0, iat= 301, 309, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 31 PHE QD 44 ALA HA 4.61 (#peak 557 #SUP 0.96 #QF 0.96)
&rst
ixpk= 557, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 321, 329,
&end
#
# 2 ILE HA 19 TYR QD 5.24 (#peak 558 #SUP 0.65 #QF 0.65)
&rst
ixpk= 558, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 276, 285,
&end
#
# 21 ASN HA 55 PHE QE 4.58 (#peak 561 #SUP 0.89 #QF 0.89)
&rst
ixpk= 561, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 686, 690,
&end
#
# 45 LEU HA 48 VAL H 3.98 (#peak 562 #SUP 0.97 #QF 0.97)
&rst
ixpk= 562, nxpk= 0, iat= 523, 580, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 10 ILE QG2 10 ILE QD1 2.69 (#peak 567 #SUP 0.90 #QF 0.90)
&rst
ixpk= 567, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 129, 130, 131,
igr2= 136, 137, 138,
&end
#
# 16 LEU QD1 48 VAL QG2 2.85 (#peak 568 #SUP 0.89 #QF 0.89)
&rst
ixpk= 568, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 229, 230, 231,
igr2= 590, 591, 592,
&end
#
# 42 VAL QQG 45 LEU HB2 4.05 (#peak 569 #SUP 0.97 #QF 0.83)
&rst
ixpk= 569, nxpk= 0, iat= 483, 525, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 16 LEU QD2 48 VAL QG2 4.40 (#peak 569 #SUP 0.97 #QF 0.83)
&rst
ixpk= 569, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 233, 234, 235,
igr2= 590, 591, 592,
&end
#
# 2 ILE HB 2 ILE QD1 3.17 (#peak 582 #SUP 0.93 #QF 0.81)
&rst
ixpk= 582, nxpk= 0, iat= 15, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 24, 25, 26,
&end
#
# 45 LEU HB3 45 LEU QD1 3.62 (#peak 584 #SUP 1.00)
&rst
ixpk= 584, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 530, 531, 532,
&end
#
# 16 LEU QD1 44 ALA QB 2.79 (#peak 586 #SUP 0.82 #QF 0.82)
&rst
ixpk= 586, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 229, 230, 231,
igr2= 515, 516, 517,
&end
#
# 16 LEU QD2 44 ALA QB 3.46 (#peak 587 #SUP 0.90 #QF 0.85)
&rst
ixpk= 587, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 233, 234, 235,
igr2= 515, 516, 517,
&end
#
# 36 LEU QD2 44 ALA QB 3.87 (#peak 587 #SUP 0.90 #QF 0.85)
&rst
ixpk= 587, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 410, 411, 412,
igr2= 515, 516, 517,
&end
#
# 36 LEU QD1 44 ALA QB 3.87 (#peak 588 #SUP 0.82 #QF 0.82)
&rst
ixpk= 588, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 406, 407, 408,
igr2= 515, 516, 517,
&end
#
# 13 LEU QB 13 LEU QD1 2.85 (#peak 591 #SUP 1.00)
&rst
ixpk= 591, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 167, 168,
igr2= 172, 173, 174,
&end
#
# 13 LEU QB 13 LEU QD2 2.85 (#peak 592 #SUP 1.00)
&rst
ixpk= 592, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 167, 168,
igr2= 176, 177, 178,
&end
#
# 13 LEU QB 48 VAL QG2 3.64 (#peak 593 #SUP 0.90 #QF 0.90)
&rst
ixpk= 593, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 167, 168,
igr2= 590, 591, 592,
&end
#
# 44 ALA QB 48 VAL QG2 3.45 (#peak 594 #SUP 0.84 #QF 0.84)
&rst
ixpk= 594, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 515, 516, 517,
igr2= 590, 591, 592,
&end
#
# 16 LEU QD2 45 LEU HG 3.16 (#peak 595 #SUP 0.96 #QF 0.59)
&rst
ixpk= 595, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 233, 234, 235,
&end
#
# 13 LEU HG 48 VAL QG2 5.43 (#peak 601 #SUP 0.87 #QF 0.87)
&rst
ixpk= 601, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 590, 591, 592,
&end
#
# 10 ILE HB 10 ILE QD1 3.31 (#peak 605 #SUP 1.00)
&rst
ixpk= 605, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 136, 137, 138,
&end
#
# 36 LEU HG 44 ALA QB 4.25 (#peak 609 #SUP 0.75 #QF 0.75)
&rst
ixpk= 609, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 515, 516, 517,
&end
#
# 16 LEU HB3 16 LEU QD1 2.95 (#peak 633 #SUP 0.91 #QF 0.91)
&rst
ixpk= 633, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 229, 230, 231,
&end
#
# 16 LEU HB3 16 LEU QD2 3.33 (#peak 634 #SUP 0.99 #QF 0.99)
&rst
ixpk= 634, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 233, 234, 235,
&end
#
# 15 GLN HB3 16 LEU QD2 4.92 (#peak 638 #SUP 0.98 #QF 0.61)
&rst
ixpk= 638, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 233, 234, 235,
&end
#
# 10 ILE QD1 34 GLN HB2 5.50 (#peak 643 #SUP 0.92 #QF 0.92)
&rst
ixpk= 643, nxpk= 0, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 136, 137, 138,
&end
#
# 10 ILE QD1 34 GLN HB3 5.50 (#peak 644 #SUP 0.99 #QF 0.99)
&rst
ixpk= 644, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 136, 137, 138,
&end
#
# 48 VAL HB 49 CYX HB2 4.06 (#peak 655 #SUP 0.57 #QF 0.57)
&rst
ixpk= 655, nxpk= 0, iat= 584, 600, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 45 LEU HA 45 LEU QD1 4.02 (#peak 664 #SUP 0.98 #QF 0.98)
&rst
ixpk= 664, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 530, 531, 532,
&end
#
# 19 TYR HB3 45 LEU QD1 4.59 (#peak 666 #SUP 0.79 #QF 0.62)
&rst
ixpk= 666, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 530, 531, 532,
&end
#
# 45 LEU QD1 54 HIE HB3 4.86 (#peak 666 #SUP 0.79 #QF 0.62)
&rst
ixpk= 666, nxpk= 0, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 530, 531, 532,
&end
#
# 41 LEU QD1 42 VAL HA 5.50 (#peak 670 #SUP 0.98 #QF 0.98)
&rst
ixpk= 670, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 470, 471, 472,
&end
#
# 19 TYR HB3 45 LEU QD2 4.59 (#peak 671 #SUP 0.97 #QF 0.95)
&rst
ixpk= 671, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 534, 535, 536,
&end
#
# 45 LEU QD2 54 HIE HB3 4.86 (#peak 671 #SUP 0.97 #QF 0.95)
&rst
ixpk= 671, nxpk= 0, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 534, 535, 536,
&end
#
# 41 LEU QD2 42 VAL HA 5.50 (#peak 676 #SUP 0.65 #QF 0.43)
&rst
ixpk= 676, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 474, 475, 476,
&end
#
# 2 ILE QD1 19 TYR HB3 4.39 (#peak 677 #SUP 0.97 #QF 0.97)
&rst
ixpk= 677, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 24, 25, 26,
&end
#
# 2 ILE QD1 19 TYR HB2 4.21 (#peak 678 #SUP 0.81 #QF 0.81)
&rst
ixpk= 678, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 24, 25, 26,
&end
#
# 36 LEU QD2 40 HIE HB3 4.24 (#peak 679 #SUP 0.87 #QF 0.87)
&rst
ixpk= 679, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 410, 411, 412,
&end
#
# 36 LEU QD1 40 HIE HB3 4.24 (#peak 684 #SUP 0.93 #QF 0.93)
&rst
ixpk= 684, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 406, 407, 408,
&end
#
# 42 VAL HA 42 VAL QQG 2.76 (#peak 685 #SUP 0.99 #QF 0.99)
&rst
ixpk= 685, nxpk= 0, iat= 482, 483, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 42 VAL HA 45 LEU HB3 4.75 (#peak 686 #SUP 0.99 #QF 0.99)
&rst
ixpk= 686, nxpk= 0, iat= 482, 526, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 59 LYS QG 59 LYS QE 4.09 (#peak 688 #SUP 0.96 #QF 0.96)
&rst
ixpk= 688, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 752, 753,
igr2= 758, 759,
&end
#
# 42 VAL HA 45 LEU HG 4.85 (#peak 689 #SUP 0.98 #QF 0.98)
&rst
ixpk= 689, nxpk= 0, iat= 482, 528, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 43 GLU QB 46 TYR QB 4.51 (#peak 699 #SUP 0.55 #QF 0.55)
&rst
ixpk= 699, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 500, 501,
igr2= 544, 545,
&end
#
# 14 TYR QB 15 GLN HB2 5.27 (#peak 704 #SUP 0.91 #QF 0.91)
&rst
ixpk= 704, nxpk= 0, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 186, 187,
&end
#
# 57 THR QG2 58 PRO HD2 3.87 (#peak 716 #SUP 0.97 #QF 0.97)
&rst
ixpk= 716, nxpk= 0, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 723, 724, 725,
&end
#
# 42 VAL QQG 58 PRO HD2 4.43 (#peak 717 #SUP 0.87 #QF 0.87)
&rst
ixpk= 717, nxpk= 0, iat= 483, 732, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, &end
#
# 57 THR QG2 58 PRO HD3 4.43 (#peak 718 #SUP 0.99 #QF 0.99)
&rst
ixpk= 718, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 723, 724, 725,
&end
#
# 42 VAL QQG 58 PRO HD3 4.14 (#peak 719 #SUP 0.96 #QF 0.96)
&rst
ixpk= 719, nxpk= 0, iat= 483, 733, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, &end
#
# 48 VAL HA 48 VAL QG2 2.67 (#peak 720 #SUP 0.93 #QF 0.93)
&rst
ixpk= 720, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 590, 591, 592,
&end
#
# 48 VAL HA 48 VAL QG1 2.73 (#peak 721 #SUP 0.94 #QF 0.94)
&rst
ixpk= 721, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 586, 587, 588,
&end
#
# 3 VAL HA 3 VAL QG2 3.33 (#peak 722 #SUP 0.91 #QF 0.91)
&rst
ixpk= 722, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 40, 41, 42,
&end
#
# 3 VAL HA 3 VAL QG1 3.33 (#peak 723 #SUP 0.98 #QF 0.98)
&rst
ixpk= 723, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 36, 37, 38,
&end
#
# 16 LEU HB3 45 LEU HA 3.47 (#peak 731 #SUP 0.94 #QF 0.31)
&rst
ixpk= 731, nxpk= 0, iat= 225, 523, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 45 LEU HA 48 VAL HB 3.78 (#peak 731 #SUP 0.94 #QF 0.31)
&rst
ixpk= 731, nxpk= 0, iat= 523, 584, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 15 GLN HA 18 ASN HB2 4.21 (#peak 735 #SUP 0.88 #QF 0.88)
&rst
ixpk= 735, nxpk= 0, iat= 205, 258, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 15 GLN HA 18 ASN HB3 5.30 (#peak 736 #SUP 0.99 #QF 0.99)
&rst
ixpk= 736, nxpk= 0, iat= 205, 259, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 15 GLN HA 15 GLN HG2 3.76 (#peak 737 #SUP 0.92 #QF 0.92)
&rst
ixpk= 737, nxpk= 0, iat= 205, 210, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 15 GLN HA 15 GLN HG3 3.76 (#peak 738 #SUP 0.95 #QF 0.95)
&rst
ixpk= 738, nxpk= 0, iat= 205, 211, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 14 TYR QB 15 GLN HA 4.51 (#peak 740 #SUP 0.73 #QF 0.73)
&rst
ixpk= 740, nxpk= 0, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 186, 187,
&end
#
# 13 LEU HA 13 LEU HG 3.81 (#peak 741 #SUP 0.95 #QF 0.95)
&rst
ixpk= 741, nxpk= 0, iat= 165, 170, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 13 LEU HA 13 LEU QB 2.92 (#peak 742 #SUP 0.99 #QF 0.99)
&rst
ixpk= 742, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 167, 168,
&end
#
# 13 LEU HA 16 LEU HG 4.22 (#peak 743 #SUP 0.99 #QF 0.99)
&rst
ixpk= 743, nxpk= 0, iat= 165, 227, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 13 LEU HA 16 LEU HB2 3.99 (#peak 744 #SUP 0.91 #QF 0.91)
&rst
ixpk= 744, nxpk= 0, iat= 165, 224, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 45 LEU HA 45 LEU HG 3.59 (#peak 745 #SUP 0.93 #QF 0.93)
&rst
ixpk= 745, nxpk= 0, iat= 523, 528, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 44 ALA QB 45 LEU HA 3.88 (#peak 746 #SUP 0.99 #QF 0.99)
&rst
ixpk= 746, nxpk= 0, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 515, 516, 517,
&end
#
# 45 LEU HA 48 VAL QG2 3.45 (#peak 748 #SUP 0.94 #QF 0.94)
&rst
ixpk= 748, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 590, 591, 592,
&end
#
# 45 LEU HA 48 VAL QG1 4.36 (#peak 749 #SUP 0.98 #QF 0.98)
&rst
ixpk= 749, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 586, 587, 588,
&end
#
# 16 LEU QD1 45 LEU HA 3.50 (#peak 750 #SUP 0.90 #QF 0.90)
&rst
ixpk= 750, nxpk= 0, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 229, 230, 231,
&end
#
# 45 LEU HA 45 LEU QD2 4.02 (#peak 751 #SUP 0.83 #QF 0.83)
&rst
ixpk= 751, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 534, 535, 536,
&end
#
# 16 LEU QD2 45 LEU HA 3.64 (#peak 752 #SUP 0.96 #QF 0.32)
&rst
ixpk= 752, nxpk= 0, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 233, 234, 235,
&end
#
# 13 LEU HA 16 LEU QD1 3.32 (#peak 753 #SUP 0.70 #QF 0.70)
&rst
ixpk= 753, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 229, 230, 231,
&end
#
# 13 LEU HA 48 VAL QG1 2.92 (#peak 754 #SUP 0.74 #QF 0.74)
&rst
ixpk= 754, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 586, 587, 588,
&end
#
# 2 ILE HA 2 ILE QG2 3.97 (#peak 755 #SUP 0.98 #QF 0.98)
&rst
ixpk= 755, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 17, 18, 19,
&end
#
# 2 ILE HA 2 ILE QD1 4.46 (#peak 757 #SUP 0.80 #QF 0.80)
&rst
ixpk= 757, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 24, 25, 26,
&end
#
# 13 LEU HA 48 VAL QG2 3.74 (#peak 758 #SUP 0.95 #QF 0.95)
&rst
ixpk= 758, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 590, 591, 592,
&end
#
# 41 LEU HA 42 VAL QQG 5.43 (#peak 760 #SUP 0.91 #QF 0.83)
&rst
ixpk= 760, nxpk= 0, iat= 463, 483, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13, &end
#
# 42 VAL QQG 57 THR HB 5.50 (#peak 760 #SUP 0.91 #QF 0.83)
&rst
ixpk= 760, nxpk= 0, iat= 483, 721, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 32 VAL HA 32 VAL QQG 2.79 (#peak 762 #SUP 0.99 #QF 0.99)
&rst
ixpk= 762, nxpk= 0, iat= 335, 336, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 41 LEU HA 41 LEU QD1 3.99 (#peak 764 #SUP 0.76 #QF 0.76)
&rst
ixpk= 764, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 470, 471, 472,
&end
#
# 41 LEU HA 41 LEU QD2 3.99 (#peak 765 #SUP 0.96 #QF 0.96)
&rst
ixpk= 765, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 474, 475, 476,
&end
#
# 41 LEU HA 44 ALA QB 3.14 (#peak 769 #SUP 0.83 #QF 0.83)
&rst
ixpk= 769, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 515, 516, 517,
&end
#
# 8 THR HA 8 THR QG2 2.69 (#peak 772 #SUP 0.56 #QF 0.56)
&rst
ixpk= 772, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 104, 105, 106,
&end
#
# 60 THR HA 60 THR QG2 3.53 (#peak 774 #SUP 1.00)
&rst
ixpk= 774, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 773, 774, 775,
&end
#
# 17 GLU HA 48 VAL QG2 5.06 (#peak 776 #SUP 0.98 #QF 0.98)
&rst
ixpk= 776, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 590, 591, 592,
&end
#
# 42 VAL QQG 43 GLU HA 3.48 (#peak 777 #SUP 0.59 #QF 0.59)
&rst
ixpk= 777, nxpk= 0, iat= 483, 498, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 47 LEU HA 47 LEU QD1 3.83 (#peak 778 #SUP 1.00)
&rst
ixpk= 778, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 570, 571, 572,
&end
#
# 47 LEU HA 47 LEU QD2 3.83 (#peak 780 #SUP 0.88 #QF 0.88)
&rst
ixpk= 780, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 574, 575, 576,
&end
#
# 17 GLU HA 48 VAL QG1 2.89 (#peak 781 #SUP 0.73 #QF 0.73)
&rst
ixpk= 781, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 586, 587, 588,
&end
#
# 16 LEU HA 48 VAL QG1 4.76 (#peak 782 #SUP 0.95 #QF 0.95)
&rst
ixpk= 782, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 586, 587, 588,
&end
#
# 16 LEU HA 16 LEU QD1 3.96 (#peak 783 #SUP 0.95 #QF 0.95)
&rst
ixpk= 783, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 229, 230, 231,
&end
#
# 16 LEU HA 16 LEU QD2 2.72 (#peak 784 #SUP 0.95 #QF 0.95)
&rst
ixpk= 784, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2= 233, 234, 235,
&end
#
# 16 LEU QD1 44 ALA HA 4.41 (#peak 785 #SUP 0.94 #QF 0.94)
&rst
ixpk= 785, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 229, 230, 231,
&end
#
# 10 ILE HA 10 ILE QG2 3.25 (#peak 787 #SUP 0.97 #QF 0.97)
&rst
ixpk= 787, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 129, 130, 131,
&end
#
# 2 ILE QD1 16 LEU HA 4.58 (#peak 789 #SUP 0.90 #QF 0.90)
&rst
ixpk= 789, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 24, 25, 26,
&end
#
# 9 SER HA 10 ILE QD1 4.71 (#peak 790 #SUP 0.93 #QF 0.93)
&rst
ixpk= 790, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 136, 137, 138,
&end
#
# 10 ILE QD1 33 ASN HA 4.49 (#peak 791 #SUP 0.93 #QF 0.93)
&rst
ixpk= 791, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 136, 137, 138,
&end
#
# 10 ILE QD1 34 GLN HA 3.70 (#peak 792 #SUP 0.80 #QF 0.80)
&rst
ixpk= 792, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 136, 137, 138,
&end
#
# 10 ILE QD1 35 HIE HA 4.19 (#peak 793 #SUP 0.92 #QF 0.92)
&rst
ixpk= 793, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 136, 137, 138,
&end
#
# 10 ILE HA 10 ILE QD1 3.58 (#peak 794 #SUP 0.97 #QF 0.97)
&rst
ixpk= 794, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 136, 137, 138,
&end
#
# 36 LEU HA 36 LEU QD1 4.07 (#peak 796 #SUP 0.98 #QF 0.98)
&rst
ixpk= 796, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 406, 407, 408,
&end
#
# 12 SER HA 16 LEU QD1 4.50 (#peak 801 #SUP 0.81 #QF 0.81)
&rst
ixpk= 801, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 229, 230, 231,
&end
#
# 32 VAL QQG 33 ASN HA 4.43 (#peak 802 #SUP 0.73 #QF 0.73)
&rst
ixpk= 802, nxpk= 0, iat= 336, 351, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, &end
#
# 36 LEU HA 36 LEU QD2 4.07 (#peak 803 #SUP 0.80 #QF 0.80)
&rst
ixpk= 803, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 410, 411, 412,
&end
#
# 10 ILE QG2 33 ASN HA 3.24 (#peak 804 #SUP 0.56 #QF 0.56)
&rst
ixpk= 804, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 129, 130, 131,
&end
#
# 10 ILE QG2 35 HIE HA 5.48 (#peak 805 #SUP 0.98 #QF 0.94)
&rst
ixpk= 805, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 129, 130, 131,
&end
#
# 14 TYR HA 48 VAL QG1 4.61 (#peak 806 #SUP 0.94 #QF 0.94)
&rst
ixpk= 806, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 586, 587, 588,
&end
#
# 10 ILE QG2 34 GLN HA 4.90 (#peak 808 #SUP 0.95 #QF 0.95)
&rst
ixpk= 808, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 129, 130, 131,
&end
#
# 57 THR HA 57 THR QG2 2.86 (#peak 810 #SUP 0.88 #QF 0.88)
&rst
ixpk= 810, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 723, 724, 725,
&end
#
# 42 VAL QQG 57 THR HA 4.22 (#peak 811 #SUP 0.92 #QF 0.92)
&rst
ixpk= 811, nxpk= 0, iat= 483, 719, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end
#
# 59 LYS HA 59 LYS QG 4.14 (#peak 812 #SUP 0.43 #QF 0.43)
&rst
ixpk= 812, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 752, 753,
&end
#
# 13 LEU HG 14 TYR HA 4.51 (#peak 813 #SUP 0.97 #QF 0.97)
&rst
ixpk= 813, nxpk= 0, iat= 170, 184, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 13 LEU QB 14 TYR HA 4.35 (#peak 814 #SUP 1.00)
&rst
ixpk= 814, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 167, 168,
&end
#
# 9 SER HA 10 ILE HB 5.25 (#peak 816 #SUP 0.91 #QF 0.91)
&rst
ixpk= 816, nxpk= 0, iat= 114, 127, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 12 SER HA 13 LEU QB 4.86 (#peak 817 #SUP 0.97 #QF 0.97)
&rst
ixpk= 817, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 167, 168,
&end
#
# 36 LEU HA 36 LEU HG 3.97 (#peak 819 #SUP 0.91 #QF 0.91)
&rst
ixpk= 819, nxpk= 0, iat= 399, 404, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 59 LYS HA 59 LYS QD 4.25 (#peak 821 #SUP 0.93 #QF 0.93)
&rst
ixpk= 821, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 755, 756,
&end
#
# 40 HIE HA 43 GLU QB 4.47 (#peak 826 #SUP 0.98 #QF 0.85)
&rst
ixpk= 826, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 500, 501,
&end
#
# 18 ASN HA 18 ASN HB3 2.88 (#peak 830 #SUP 0.95 #QF 0.95)
&rst
ixpk= 830, nxpk= 0, iat= 256, 259, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 4 GLU HA 4 GLU HG2 3.88 (#peak 831 #SUP 1.00)
&rst
ixpk= 831, nxpk= 0, iat= 48, 53, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 51 GLU HA 51 GLU QG 3.37 (#peak 832 #SUP 0.74 #QF 0.74)
&rst
ixpk= 832, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 620, 621,
&end
#
# 4 GLU HA 4 GLU HG3 3.88 (#peak 833 #SUP 0.80 #QF 0.80)
&rst
ixpk= 833, nxpk= 0, iat= 48, 54, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 43 GLU HA 43 GLU HG3 3.98 (#peak 834 #SUP 0.97 #QF 0.97)
&rst
ixpk= 834, nxpk= 0, iat= 498, 504, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 43 GLU HA 43 GLU HG2 3.98 (#peak 835 #SUP 0.98 #QF 0.98)
&rst
ixpk= 835, nxpk= 0, iat= 498, 503, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 43 GLU HA 43 GLU QB 2.67 (#peak 840 #SUP 1.00)
&rst
ixpk= 840, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 500, 501,
&end
#
# 40 HIE HA 43 GLU HG3 4.75 (#peak 846 #SUP 0.88 #QF 0.88)
&rst
ixpk= 846, nxpk= 0, iat= 446, 504, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 57 THR HA 58 PRO HD2 2.81 (#peak 848 #SUP 0.98 #QF 0.98)
&rst
ixpk= 848, nxpk= 0, iat= 719, 732, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 57 THR HA 58 PRO HD3 2.86 (#peak 849 #SUP 0.99 #QF 0.99)
&rst
ixpk= 849, nxpk= 0, iat= 719, 733, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 57 THR HB 58 PRO HD2 4.34 (#peak 852 #SUP 0.97 #QF 0.97)
&rst
ixpk= 852, nxpk= 0, iat= 721, 732, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 57 THR HB 58 PRO HD3 5.14 (#peak 853 #SUP 0.98 #QF 0.98)
&rst
ixpk= 853, nxpk= 0, iat= 721, 733, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 20 CYX HA 54 HIE HB3 3.72 (#peak 864 #SUP 0.74 #QF 0.74)
&rst
ixpk= 864, nxpk= 0, iat= 291, 664, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 20 CYX HA 54 HIE HB2 4.47 (#peak 865 #SUP 0.92 #QF 0.92)
&rst
ixpk= 865, nxpk= 0, iat= 291, 663, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 36 LEU HA 40 HIE HB3 4.17 (#peak 877 #SUP 0.85 #QF 0.85)
&rst
ixpk= 877, nxpk= 0, iat= 399, 449, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 36 LEU HA 40 HIE HB2 4.12 (#peak 882 #SUP 0.88 #QF 0.88)
&rst
ixpk= 882, nxpk= 0, iat= 399, 448, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 14 TYR HA 14 TYR QB 2.55 (#peak 888 #SUP 1.00)
&rst
ixpk= 888, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,
igr2= 186, 187,
&end
#
# 17 GLU HA 20 CYX HB3 4.32 (#peak 889 #SUP 0.89 #QF 0.89)
&rst
ixpk= 889, nxpk= 0, iat= 241, 294, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 16 LEU HA 19 TYR HB2 4.35 (#peak 890 #SUP 0.97 #QF 0.97)
&rst
ixpk= 890, nxpk= 0, iat= 222, 272, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 43 GLU HA 46 TYR QB 3.31 (#peak 891 #SUP 0.77 #QF 0.77)
&rst
ixpk= 891, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 544, 545,
&end
#
# 52 ARG HA 52 ARG HD2 4.76 (#peak 892 #SUP 0.69 #QF 0.36)
&rst
ixpk= 892, nxpk= 0, iat= 630, 638, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 17 GLU HA 20 CYX HB2 4.32 (#peak 893 #SUP 0.86 #QF 0.46)
&rst
ixpk= 893, nxpk= 0, iat= 241, 293, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 52 ARG HA 52 ARG HD3 4.76 (#peak 893 #SUP 0.86 #QF 0.46)
&rst
ixpk= 893, nxpk= 0, iat= 630, 639, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 42 VAL HA 43 GLU HA 5.50 (#peak 894 #SUP 0.92 #QF 0.51)
&rst
ixpk= 894, nxpk= 0, iat= 482, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 LEU HA 46 TYR HA 5.50 (#peak 899 #SUP 0.71 #QF 0.27)
&rst
ixpk= 899, nxpk= 0, iat= 523, 542, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 CYX HA 49 CYX HB3 4.48 (#peak 906 #SUP 0.51 #QF 0.51)
&rst
ixpk= 906, nxpk= 0, iat= 291, 601, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 3 VAL HA 7 CYX H 4.81 (#peak 908 #SUP 0.68 #QF 0.68)
&rst
ixpk= 908, nxpk= 0, iat= 32, 88, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 47 LEU H 48 VAL HA 5.50 (#peak 909 #SUP 0.90 #QF 0.90)
&rst
ixpk= 909, nxpk= 0, iat= 561, 582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 HIE HE1 58 PRO HD2 5.24 (#peak 910 #SUP 0.97 #QF 0.97)
&rst
ixpk= 910, nxpk= 0, iat= 668, 732, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 54 HIE HE1 58 PRO HD3 5.00 (#peak 911 #SUP 0.99 #QF 0.99)
&rst
ixpk= 911, nxpk= 0, iat= 668, 733, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 ILE HA 35 HIE HE1 5.41 (#peak 912 #SUP 0.80 #QF 0.80)
&rst
ixpk= 912, nxpk= 0, iat= 125, 389, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 32 VAL HA 33 ASN HA 4.92 (#peak 918 #SUP 0.89 #QF 0.75)
&rst
ixpk= 918, nxpk= 0, iat= 335, 351, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 36 LEU HA 41 LEU HA 5.39 (#peak 918 #SUP 0.89 #QF 0.75)
&rst
ixpk= 918, nxpk= 0, iat= 399, 463, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 10 ILE HA 35 HIE HA 4.88 (#peak 920 #SUP 0.81 #QF 0.81)
&rst
ixpk= 920, nxpk= 0, iat= 125, 382, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 12 SER HA 13 LEU HA 4.87 (#peak 921 #SUP 0.98 #QF 0.98)
&rst
ixpk= 921, nxpk= 0, iat= 154, 165, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 17 GLU HA 18 ASN HA 5.28 (#peak 922 #SUP 0.96 #QF 0.95)
&rst
ixpk= 922, nxpk= 0, iat= 241, 256, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 10 ILE HA 34 GLN HA 5.50 (#peak 922 #SUP 0.96 #QF 0.95)
&rst
ixpk= 922, nxpk= 0, iat= 125, 365, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ASN HA 19 TYR HA 5.00 (#peak 923 #SUP 0.96 #QF 0.90)
&rst
ixpk= 923, nxpk= 0, iat= 256, 270, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 GLN HA 35 HIE HA 5.29 (#peak 923 #SUP 0.96 #QF 0.90)
&rst
ixpk= 923, nxpk= 0, iat= 365, 382, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 12 SER HA 15 GLN H 5.17 (#peak 925 #SUP 0.82 #QF 0.82)
&rst
ixpk= 925, nxpk= 0, iat= 154, 203, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 46 TYR H 49 CYX H 4.97 (#peak 927 #SUP 0.92 #QF 0.92)
&rst
ixpk= 927, nxpk= 0, iat= 540, 596, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 12 SER HB2 13 LEU QB 5.50 (#peak 928 #SUP 0.97 #QF 0.96)
&rst
ixpk= 928, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 167, 168,
&end
#
# 59 LYS QG 60 THR HA 5.50 (#peak 928 #SUP 0.97 #QF 0.96)
&rst
ixpk= 928, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 752, 753,
&end
#
# 12 SER HA 13 LEU HG 5.16 (#peak 929 #SUP 0.81 #QF 0.81)
&rst
ixpk= 929, nxpk= 0, iat= 154, 170, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 32 VAL HB 33 ASN HA 5.34 (#peak 932 #SUP 0.87 #QF 0.87)
&rst
ixpk= 932, nxpk= 0, iat= 337, 351, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 34 GLN HA 35 HIE HD2 4.93 (#peak 933 #SUP 0.91 #QF 0.91)
&rst
ixpk= 933, nxpk= 0, iat= 365, 393, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 41 LEU HA 56 TYR QE 5.14 (#peak 937 #SUP 0.39 #QF 0.39)
&rst
ixpk= 937, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 706, 711,
&end
#
# 21 ASN HA 55 PHE QD 3.47 (#peak 938 #SUP 0.52 #QF 0.52)
&rst
ixpk= 938, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 684, 692,
&end
#
# 41 LEU HA 43 GLU H 5.21 (#peak 939 #SUP 0.90 #QF 0.90)
&rst
ixpk= 939, nxpk= 0, iat= 463, 496, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 40 HIE HB3 41 LEU HA 4.98 (#peak 940 #SUP 0.96 #QF 0.96)
&rst
ixpk= 940, nxpk= 0, iat= 449, 463, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 14 TYR QD 15 GLN HA 4.05 (#peak 946 #SUP 0.98 #QF 0.98)
&rst
ixpk= 946, nxpk= 0, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 190, 199,
&end
#
# 13 LEU HA 14 TYR HA 5.01 (#peak 947 #SUP 1.00)
&rst
ixpk= 947, nxpk= 0, iat= 165, 184, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 49 CYX HB2 54 HIE HD2 4.07 (#peak 949 #SUP 0.95 #QF 0.95)
&rst
ixpk= 949, nxpk= 0, iat= 600, 672, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 54 HIE HD2 57 THR QG2 5.50 (#peak 950 #SUP 0.62 #QF 0.62)
&rst
ixpk= 950, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 723, 724, 725,
&end
#
# 45 LEU HG 54 HIE HD2 5.50 (#peak 951 #SUP 0.96 #QF 0.96)
&rst
ixpk= 951, nxpk= 0, iat= 528, 672, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 TYR QB 16 LEU H 5.50 (#peak 953 #SUP 0.99 #QF 0.99)
&rst
ixpk= 953, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 186, 187,
&end
#
# 21 ASN H 54 HIE HB2 5.01 (#peak 954 #SUP 0.88 #QF 0.88)
&rst
ixpk= 954, nxpk= 0, iat= 299, 663, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 56 TYR QD 58 PRO HD3 4.73 (#peak 955 #SUP 0.88 #QF 0.88)
&rst
ixpk= 955, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 704, 713,
&end
#
# 31 PHE HB2 44 ALA QB 5.10 (#peak 956 #SUP 0.71 #QF 0.71)
&rst
ixpk= 956, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 515, 516, 517,
&end
#
# 31 PHE HB3 44 ALA QB 5.10 (#peak 957 #SUP 0.95 #QF 0.95)
&rst
ixpk= 957, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 515, 516, 517,
&end
#
# 40 HIE HB3 44 ALA QB 4.64 (#peak 958 #SUP 0.94 #QF 0.94)
&rst
ixpk= 958, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 515, 516, 517,
&end
#
# 42 VAL HA 44 ALA QB 4.99 (#peak 959 #SUP 0.93 #QF 0.93)
&rst
ixpk= 959, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 515, 516, 517,
&end
#
# 42 VAL HA 45 LEU HB2 4.15 (#peak 961 #SUP 0.99 #QF 0.99)
&rst
ixpk= 961, nxpk= 0, iat= 482, 525, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 44 ALA HA 48 VAL H 4.60 (#peak 962 #SUP 0.94 #QF 0.94)
&rst
ixpk= 962, nxpk= 0, iat= 513, 580, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 44 ALA HA 47 LEU H 4.19 (#peak 963 #SUP 0.88 #QF 0.88)
&rst
ixpk= 963, nxpk= 0, iat= 513, 561, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 42 VAL HA 45 LEU HA 5.50 (#peak 965 #SUP 0.71 #QF 0.71)
&rst
ixpk= 965, nxpk= 0, iat= 482, 523, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ALA H 46 TYR QB 5.14 (#peak 966 #SUP 0.95 #QF 0.91)
&rst
ixpk= 966, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 544, 545,
&end
#
# 46 TYR QB 50 GLY H 5.50 (#peak 966 #SUP 0.95 #QF 0.91)
&rst
ixpk= 966, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 544, 545,
&end
#
# 46 TYR QB 48 VAL H 5.14 (#peak 967 #SUP 0.80 #QF 0.80)
&rst
ixpk= 967, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 544, 545,
&end
#
# 40 HIE H 40 HIE HD2 4.99 (#peak 968 #SUP 0.98 #QF 0.98)
&rst
ixpk= 968, nxpk= 0, iat= 444, 457, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 18 ASN HB3 19 TYR HA 5.01 (#peak 973 #SUP 0.97 #QF 0.97)
&rst
ixpk= 973, nxpk= 0, iat= 259, 270, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 18 ASN HB2 19 TYR HA 5.16 (#peak 974 #SUP 0.86 #QF 0.86)
&rst
ixpk= 974, nxpk= 0, iat= 258, 270, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 15 GLN H 17 GLU H 4.49 (#peak 976 #SUP 0.97 #QF 0.97)
&rst
ixpk= 976, nxpk= 0, iat= 203, 239, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 20 CYX H 21 ASN H 4.63 (#peak 977 #SUP 0.98 #QF 0.98)
&rst
ixpk= 977, nxpk= 0, iat= 289, 299, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 46 TYR HA 49 CYX HB2 4.42 (#peak 980 #SUP 0.92 #QF 0.92)
&rst
ixpk= 980, nxpk= 0, iat= 542, 600, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 46 TYR HA 48 VAL H 5.11 (#peak 981 #SUP 0.99 #QF 0.99)
&rst
ixpk= 981, nxpk= 0, iat= 542, 580, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 52 ARG QG 53 GLY H 5.10 (#peak 982 #SUP 0.99 #QF 0.36)
&rst
ixpk= 982, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 635, 636,
&end
#
# 2 ILE QD1 45 LEU HG 4.43 (#peak 984 #SUP 0.76 #QF 0.76)
&rst
ixpk= 984, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 24, 25, 26,
&end
#
# 59 LYS QG 60 THR H 4.96 (#peak 986 #SUP 0.98 #QF 0.98)
&rst
ixpk= 986, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 752, 753,
&end
#
# 13 LEU QB 15 GLN H 4.99 (#peak 989 #SUP 0.99 #QF 0.99)
&rst
ixpk= 989, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 167, 168,
&end
#
# 15 GLN H 16 LEU HB2 5.16 (#peak 990 #SUP 0.88 #QF 0.88)
&rst
ixpk= 990, nxpk= 0, iat= 203, 224, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 16 LEU HB2 19 TYR QE 5.50 (#peak 991 #SUP 0.99 #QF 0.99)
&rst
ixpk= 991, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 278, 283,
&end
#
# 31 PHE HZ 47 LEU HB3 5.50 (#peak 992 #SUP 0.78 #QF 0.78)
&rst
ixpk= 992, nxpk= 0, iat= 325, 566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 PHE HZ 47 LEU HB2 5.50 (#peak 993 #SUP 0.95 #QF 0.95)
&rst
ixpk= 993, nxpk= 0, iat= 325, 565, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 VAL HB 34 GLN HE22 5.43 (#peak 994 #SUP 0.94 #QF 0.25)
&rst
ixpk= 994, nxpk= 0, iat= 337, 376, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 42 VAL HB 56 TYR QE 5.50 (#peak 998 #SUP 0.90 #QF 0.90)
&rst
ixpk= 998, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 706, 711,
&end
#
# 5 GLN HA 9 SER HB3 4.66 (#peak 999 #SUP 0.75 #QF 0.75)
&rst
ixpk= 999, nxpk= 0, iat= 63, 117, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 45 LEU HB2 56 TYR QE 5.50 (#peak 1006 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1006, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 706, 711,
&end
#
# 18 ASN H 19 TYR HB2 5.43 (#peak 1008 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1008, nxpk= 0, iat= 254, 272, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 14 TYR QE 15 GLN HB3 5.06 (#peak 1009 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1009, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 192, 197,
&end
#
# 32 VAL QQG 34 GLN HE22 4.52 (#peak 1011 #SUP 0.70 #QF 0.70)
&rst
ixpk= 1011, nxpk= 0, iat= 336, 376, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22, &end
#
# 16 LEU QD2 31 PHE HZ 4.64 (#peak 1012 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1012, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 233, 234, 235,
&end
#
# 15 GLN H 16 LEU QD2 5.50 (#peak 1013 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1013, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 233, 234, 235,
&end
#
# 16 LEU QD1 47 LEU H 5.50 (#peak 1014 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1014, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 229, 230, 231,
&end
#
# 45 LEU HB2 54 HIE HE1 4.97 (#peak 1015 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1015, nxpk= 0, iat= 525, 668, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 19 TYR H 48 VAL QG1 5.38 (#peak 1016 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1016, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 586, 587, 588,
&end
#
# 36 LEU HB3 37 CYX H 4.94 (#peak 1018 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1018, nxpk= 0, iat= 402, 416, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 20 CYX H 48 VAL QG1 5.48 (#peak 1020 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1020, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 586, 587, 588,
&end
#
# 48 VAL HB 50 GLY H 5.39 (#peak 1021 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1021, nxpk= 0, iat= 584, 606, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 47 LEU H 48 VAL HB 5.00 (#peak 1022 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1022, nxpk= 0, iat= 561, 584, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 GLU H 44 ALA HA 5.42 (#peak 1023 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1023, nxpk= 0, iat= 496, 513, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 16 LEU H 17 GLU HA 5.36 (#peak 1024 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1024, nxpk= 0, iat= 220, 241, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 43 GLU QB 44 ALA QB 4.80 (#peak 1025 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1025, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 500, 501,
igr2= 515, 516, 517,
&end
#
# 10 ILE QD1 33 ASN HB3 5.13 (#peak 1028 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1028, nxpk= 0, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 136, 137, 138,
&end
#
# 45 LEU HB3 45 LEU QD2 3.62 (#peak 1029 #SUP 1.00)
&rst
ixpk= 1029, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 534, 535, 536,
&end
#
# 10 ILE QD1 33 ASN HB2 5.13 (#peak 1030 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1030, nxpk= 0, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 136, 137, 138,
&end
#
# 16 LEU QD2 19 TYR HB2 4.27 (#peak 1032 #SUP 0.40 #QF 0.40)
&rst
ixpk= 1032, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 233, 234, 235,
&end
#
# 40 HIE HA 43 GLU HG2 4.75 (#peak 1043 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1043, nxpk= 0, iat= 446, 503, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 2 ILE QG2 3 VAL HA 4.74 (#peak 1045 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1045, nxpk= 0, iat= -1, 32, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 17, 18, 19,
&end
#
# 45 LEU HB2 56 TYR QD 4.81 (#peak 1047 #SUP 0.66 #QF 0.66)
&rst
ixpk= 1047, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 704, 713,
&end
#
# 41 LEU H 42 VAL HB 5.11 (#peak 1048 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1048, nxpk= 0, iat= 461, 484, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 5 GLN HA 9 SER HB2 4.66 (#peak 1050 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1050, nxpk= 0, iat= 63, 116, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 47 LEU HA 48 VAL HA 5.07 (#peak 1051 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1051, nxpk= 0, iat= 563, 582, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 47 LEU HA 47 LEU HG 3.75 (#peak 1052 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1052, nxpk= 0, iat= 563, 568, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 16 LEU HA 16 LEU HG 3.52 (#peak 1055 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1055, nxpk= 0, iat= 222, 227, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 2 ILE QG2 19 TYR QE 4.75 (#peak 1060 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1060, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 17, 18, 19,
igr2= 278, 283,
&end
#
# 2 ILE QD1 16 LEU QD2 3.66 (#peak 1063 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1063, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 24, 25, 26,
igr2= 233, 234, 235,
&end
#
# 16 LEU HB2 17 GLU HA 5.02 (#peak 1064 #SUP 0.42 #QF 0.42)
&rst
ixpk= 1064, nxpk= 0, iat= 224, 241, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 12 SER HB3 13 LEU QB 5.50 (#peak 1065 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1065, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 167, 168,
&end
#
# 45 LEU HA 49 CYX HB2 4.92 (#peak 1066 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1066, nxpk= 0, iat= 523, 600, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 16 LEU H 48 VAL QG2 4.39 (#peak 1068 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1068, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 590, 591, 592,
&end
#
# 2 ILE HA 3 VAL QQG 5.16 (#peak 759)
&rst
ixpk= 759, nxpk= 0, iat= 13, 33, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86, &end
#
# 2 ILE QG2 3 VAL QQG 3.06 (#peak 573)
&rst
ixpk= 573, nxpk= 0, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 17, 18, 19,
&end
#
# 2 ILE QD1 45 LEU QQD 3.52 (#peak 566)
&rst
ixpk= 566, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 24, 25, 26,
&end
#
# 3 VAL H 3 VAL QQG 2.95 (#peak 43)
&rst
ixpk= 43, nxpk= 0, iat= 30, 33, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 3 VAL H 41 LEU QQD 5.38 (#peak 98)
&rst
ixpk= 98, nxpk= 0, iat= 30, 467, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08, &end
#
# 3 VAL HA 3 VAL QQG 2.90 (#peak 722)
&rst
ixpk= 722, nxpk= 0, iat= 32, 33, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 3 VAL HA 41 LEU QQD 4.17 (#peak 724)
&rst
ixpk= 724, nxpk= 0, iat= 32, 467, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, &end
#
# 3 VAL QQG 4 GLU H 3.92 (#peak 106)
&rst
ixpk= 106, nxpk= 0, iat= 33, 46, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end
#
# 3 VAL QQG 7 CYX H 4.91 (#peak 1017)
&rst
ixpk= 1017, nxpk= 0, iat= 33, 88, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61, &end
#
# 3 VAL QQG 7 CYX HA 4.91 (#peak 799)
&rst
ixpk= 799, nxpk= 0, iat= 33, 90, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61, &end
#
# 3 VAL QQG 7 CYX QB 3.31 (#peak 683)
&rst
ixpk= 683, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 92, 93,
&end
#
# 3 VAL QQG 56 TYR QD 4.50 (#peak 1059)
&rst
ixpk= 1059, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2= 704, 713,
&end
#
# 3 VAL QQG 56 TYR QE 3.47 (#peak 414)
&rst
ixpk= 414, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 706, 711,
&end
#
# 3 VAL QQG 58 PRO QB 4.77 (#peak 1061)
&rst
ixpk= 1061, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr2= 738, 739,
&end
#
# 4 GLU H 4 GLU QG 4.38 (#peak 103)
&rst
ixpk= 103, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 53, 54,
&end
#
# 4 GLU HA 4 GLU QG 3.32 (#peak 833)
&rst
ixpk= 833, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 53, 54,
&end
#
# 6 CYX H 41 LEU QQD 5.44 (#peak 373)
&rst
ixpk= 373, nxpk= 0, iat= 78, 467, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 6 CYX HA 41 LEU QQD 5.09 (#peak 798)
&rst
ixpk= 798, nxpk= 0, iat= 80, 467, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79, &end
#
# 6 CYX QB 7 CYX HA 4.34 (#peak 917)
&rst
ixpk= 917, nxpk= 0, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 82, 83,
&end
#
# 6 CYX QB 7 CYX QB 4.78 (#peak 964)
&rst
ixpk= 964, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 82, 83,
igr2= 92, 93,
&end
#
# 6 CYX QB 41 LEU QQD 3.69 (#peak 674)
&rst
ixpk= 674, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 82, 83,
&end
#
# 7 CYX HA 37 CYX QB 4.74 (#peak 903)
&rst
ixpk= 903, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 420, 421,
&end
#
# 7 CYX QB 8 THR HA 4.90 (#peak 894)
&rst
ixpk= 894, nxpk= 0, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 92, 93,
&end
#
# 7 CYX QB 37 CYX HA 3.99 (#peak 860)
&rst
ixpk= 860, nxpk= 0, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 92, 93,
&end
#
# 7 CYX QB 41 LEU QQD 5.00 (#peak 676)
&rst
ixpk= 676, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 92, 93,
&end
#
# 8 THR HB 9 SER QB 5.04 (#peak 899)
&rst
ixpk= 899, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 116, 117,
&end
#
# 9 SER QB 10 ILE H 3.60 (#peak 172)
&rst
ixpk= 172, nxpk= 0, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 116, 117,
&end
#
# 10 ILE H 10 ILE QG1 3.72 (#peak 238)
&rst
ixpk= 238, 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 QB 4.79 (#peak 663)
&rst
ixpk= 663, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 129, 130, 131,
igr2= 353, 354,
&end
#
# 10 ILE QG2 33 ASN QD2 5.20 (#peak 1046)
&rst
ixpk= 1046, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 129, 130, 131,
igr2= 358, 359,
&end
#
# 10 ILE QG1 35 HIE HD2 5.34 (#peak 242)
&rst
ixpk= 242, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 133, 134,
&end
#
# 10 ILE QG1 35 HIE HE1 4.64 (#peak 240)
&rst
ixpk= 240, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 133, 134,
&end
#
# 10 ILE QD1 33 ASN QB 4.51 (#peak 1028)
&rst
ixpk= 1028, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 136, 137, 138,
igr2= 353, 354,
&end
#
# 10 ILE QD1 34 GLN QB 4.76 (#peak 643)
&rst
ixpk= 643, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 136, 137, 138,
igr2= 367, 368,
&end
#
# 10 ILE QD1 35 HIE QB 4.93 (#peak 1035)
&rst
ixpk= 1035, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 136, 137, 138,
igr2= 384, 385,
&end
#
# 12 SER QB 13 LEU QB 4.69 (#peak 1065)
&rst
ixpk= 1065, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 156, 157,
igr2= 167, 168,
&end
#
# 12 SER QB 14 TYR QB 4.69 (#peak 913)
&rst
ixpk= 913, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 156, 157,
igr2= 186, 187,
&end
#
# 12 SER QB 14 TYR QD 3.91 (#peak 533)
&rst
ixpk= 533, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 156, 157,
igr2= 190, 199,
&end
#
# 12 SER QB 14 TYR QE 3.83 (#peak 513)
&rst
ixpk= 513, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 156, 157,
igr2= 192, 197,
&end
#
# 12 SER QB 15 GLN H 4.31 (#peak 523)
&rst
ixpk= 523, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 156, 157,
&end
#
# 12 SER QB 31 PHE QE 5.34 (#peak 556)
&rst
ixpk= 556, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 156, 157,
igr2= 323, 327,
&end
#
# 13 LEU H 13 LEU QQD 4.76 (#peak 20)
&rst
ixpk= 20, nxpk= 0, iat= 163, 169, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46, &end
#
# 13 LEU QB 13 LEU QQD 2.49 (#peak 592)
&rst
ixpk= 592, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 167, 168,
&end
#
# 13 LEU QQD 14 TYR H 4.09 (#peak 388)
&rst
ixpk= 388, nxpk= 0, iat= 169, 182, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, &end
#
# 13 LEU QQD 14 TYR HA 4.36 (#peak 807)
&rst
ixpk= 807, nxpk= 0, iat= 169, 184, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, &end
#
# 13 LEU QQD 14 TYR QD 4.46 (#peak 550)
&rst
ixpk= 550, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 190, 199,
&end
#
# 13 LEU QQD 15 GLN H 4.74 (#peak 552)
&rst
ixpk= 552, nxpk= 0, iat= 169, 203, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, &end
#
# 14 TYR HA 17 GLU QG 4.91 (#peak 841)
&rst
ixpk= 841, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 246, 247,
&end
#
# 14 TYR QB 15 GLN QG 4.73 (#peak 702)
&rst
ixpk= 702, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 186, 187,
igr2= 210, 211,
&end
#
# 14 TYR QB 17 GLU QB 4.95 (#peak 705)
&rst
ixpk= 705, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 186, 187,
igr2= 243, 244,
&end
#
# 14 TYR QD 15 GLN QG 3.94 (#peak 468)
&rst
ixpk= 468, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 190, 199,
igr2= 210, 211,
&end
#
# 14 TYR QE 15 GLN QG 4.37 (#peak 464)
&rst
ixpk= 464, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 192, 197,
igr2= 210, 211,
&end
#
# 15 GLN H 15 GLN QG 3.57 (#peak 443)
&rst
ixpk= 443, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 210, 211,
&end
#
# 15 GLN HA 15 GLN QG 3.06 (#peak 737)
&rst
ixpk= 737, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 210, 211,
&end
#
# 15 GLN HA 18 ASN QD2 3.86 (#peak 537)
&rst
ixpk= 537, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 263, 264,
&end
#
# 15 GLN HB2 15 GLN QE2 4.28 (#peak 456)
&rst
ixpk= 456, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 215, 216,
&end
#
# 15 GLN HB3 15 GLN QE2 4.56 (#peak 457)
&rst
ixpk= 457, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 215, 216,
&end
#
# 15 GLN QG 15 GLN QE2 3.20 (#peak 455)
&rst
ixpk= 455, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 210, 211,
igr2= 215, 216,
&end
#
# 16 LEU HA 45 LEU QQD 3.38 (#peak 788)
&rst
ixpk= 788, nxpk= 0, iat= 222, 527, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 16 LEU HB3 45 LEU QQD 3.35 (#peak 642)
&rst
ixpk= 642, nxpk= 0, iat= 225, 527, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 17 GLU H 17 GLU QG 4.91 (#peak 256)
&rst
ixpk= 256, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 246, 247,
&end
#
# 17 GLU HA 17 GLU QG 3.19 (#peak 837)
&rst
ixpk= 837, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 246, 247,
&end
#
# 17 GLU HA 20 CYX QB 3.80 (#peak 893)
&rst
ixpk= 893, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 293, 294,
&end
#
# 17 GLU QB 19 TYR H 5.34 (#peak 439)
&rst
ixpk= 439, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 243, 244,
&end
#
# 17 GLU QG 20 CYX HA 5.34 (#peak 944)
&rst
ixpk= 944, nxpk= 0, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 246, 247,
&end
#
# 17 GLU QG 20 CYX QB 3.56 (#peak 697)
&rst
ixpk= 697, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 246, 247,
igr2= 293, 294,
&end
#
# 17 GLU QG 48 VAL QG1 3.55 (#peak 641)
&rst
ixpk= 641, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 246, 247,
igr2= 586, 587, 588,
&end
#
# 18 ASN HA 18 ASN QD2 4.85 (#peak 936)
&rst
ixpk= 936, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 263, 264,
&end
#
# 18 ASN HB2 18 ASN QD2 3.57 (#peak 75)
&rst
ixpk= 75, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 263, 264,
&end
#
# 19 TYR H 45 LEU QQD 4.03 (#peak 363)
&rst
ixpk= 363, nxpk= 0, iat= 268, 527, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, &end
#
# 19 TYR HA 45 LEU QQD 5.15 (#peak 805)
&rst
ixpk= 805, nxpk= 0, iat= 270, 527, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85, &end
#
# 19 TYR HB2 45 LEU QQD 4.25 (#peak 668)
&rst
ixpk= 668, nxpk= 0, iat= 272, 527, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, &end
#
# 19 TYR HB3 45 LEU QQD 3.52 (#peak 671)
&rst
ixpk= 671, nxpk= 0, iat= 273, 527, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 19 TYR QD 45 LEU QQD 3.06 (#peak 369)
&rst
ixpk= 369, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 276, 285,
&end
#
# 19 TYR QE 45 LEU QQD 4.72 (#peak 372)
&rst
ixpk= 372, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 278, 283,
&end
#
# 20 CYX H 20 CYX QB 2.89 (#peak 59)
&rst
ixpk= 59, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 293, 294,
&end
#
# 20 CYX H 45 LEU QQD 4.91 (#peak 366)
&rst
ixpk= 366, nxpk= 0, iat= 289, 527, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61, &end
#
# 20 CYX HA 21 ASN QB 4.90 (#peak 942)
&rst
ixpk= 942, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 303, 304,
&end
#
# 20 CYX HA 45 LEU QQD 5.29 (#peak 798)
&rst
ixpk= 798, nxpk= 0, iat= 291, 527, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99, &end
#
# 20 CYX QB 21 ASN H 4.11 (#peak 57)
&rst
ixpk= 57, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 293, 294,
&end
#
# 21 ASN H 21 ASN QB 3.07 (#peak 55)
&rst
ixpk= 55, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 303, 304,
&end
#
# 21 ASN HA 21 ASN QB 2.65 (#peak 874)
&rst
ixpk= 874, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 303, 304,
&end
#
# 21 ASN QB 21 ASN HD21 2.86 (#peak 73)
&rst
ixpk= 73, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr1= 303, 304,
&end
#
# 21 ASN QB 21 ASN HD22 3.47 (#peak 71)
&rst
ixpk= 71, nxpk= 0, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 303, 304,
&end
#
# 21 ASN QB 52 ARG QB 4.11 (#peak 653)
&rst
ixpk= 653, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 303, 304,
igr2= 632, 633,
&end
#
# 21 ASN QB 52 ARG QG 5.34 (#peak 988)
&rst
ixpk= 988, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 303, 304,
igr2= 635, 636,
&end
#
# 21 ASN HD22 53 GLY QA 4.46 (#peak 543)
&rst
ixpk= 543, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 654, 655,
&end
#
# 31 PHE QB 36 LEU QQD 3.97 (#peak 682)
&rst
ixpk= 682, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 317, 318,
&end
#
# 31 PHE QB 44 ALA QB 4.42 (#peak 957)
&rst
ixpk= 957, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 317, 318,
igr2= 515, 516, 517,
&end
#
# 31 PHE QD 36 LEU QQD 3.31 (#peak 404)
&rst
ixpk= 404, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 321, 329,
&end
#
# 31 PHE QD 47 LEU QB 4.72 (#peak 453)
&rst
ixpk= 453, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 321, 329,
igr2= 565, 566,
&end
#
# 31 PHE QE 36 LEU QQD 3.38 (#peak 403)
&rst
ixpk= 403, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 323, 327,
&end
#
# 31 PHE QE 47 LEU QB 3.88 (#peak 259)
&rst
ixpk= 259, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 323, 327,
igr2= 565, 566,
&end
#
# 31 PHE HZ 36 LEU QQD 4.54 (#peak 400)
&rst
ixpk= 400, nxpk= 0, iat= 325, 403, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, &end
#
# 31 PHE HZ 45 LEU QQD 5.44 (#peak 368)
&rst
ixpk= 368, nxpk= 0, iat= 325, 527, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 31 PHE HZ 47 LEU QB 4.69 (#peak 992)
&rst
ixpk= 992, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 565, 566,
&end
#
# 32 VAL HB 34 GLN QE2 4.64 (#peak 260)
&rst
ixpk= 260, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 375, 376,
&end
#
# 32 VAL QQG 33 ASN QB 4.88 (#peak 661)
&rst
ixpk= 661, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr2= 353, 354,
&end
#
# 32 VAL QQG 34 GLN QG 3.97 (#peak 639)
&rst
ixpk= 639, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2= 370, 371,
&end
#
# 34 GLN HA 34 GLN QG 3.58 (#peak 823)
&rst
ixpk= 823, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 370, 371,
&end
#
# 34 GLN QB 34 GLN QE2 4.63 (#peak 260)
&rst
ixpk= 260, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 367, 368,
igr2= 375, 376,
&end
#
# 34 GLN QB 36 LEU QQD 5.02 (#peak 638)
&rst
ixpk= 638, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 367, 368,
&end
#
# 34 GLN QG 34 GLN QE2 3.18 (#peak 447)
&rst
ixpk= 447, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 370, 371,
igr2= 375, 376,
&end
#
# 34 GLN QG 36 LEU QQD 3.34 (#peak 637)
&rst
ixpk= 637, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 370, 371,
&end
#
# 34 GLN QE2 36 LEU QQD 4.08 (#peak 392)
&rst
ixpk= 392, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 375, 376,
&end
#
# 35 HIE QB 35 HIE HD2 3.36 (#peak 215)
&rst
ixpk= 215, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 384, 385,
&end
#
# 36 LEU H 36 LEU QQD 5.06 (#peak 356)
&rst
ixpk= 356, nxpk= 0, iat= 397, 403, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76, &end
#
# 36 LEU HA 36 LEU QQD 2.70 (#peak 803)
&rst
ixpk= 803, nxpk= 0, iat= 399, 403, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 36 LEU HA 37 CYX QB 4.73 (#peak 876)
&rst
ixpk= 876, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 420, 421,
&end
#
# 36 LEU QB 36 LEU QQD 2.74 (#peak 616)
&rst
ixpk= 616, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 401, 402,
&end
#
# 36 LEU QB 37 CYX H 4.34 (#peak 438)
&rst
ixpk= 438, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 401, 402,
&end
#
# 36 LEU QB 40 HIE HB3 4.22 (#peak 693)
&rst
ixpk= 693, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 401, 402,
&end
#
# 36 LEU QQD 37 CYX H 3.85 (#peak 261)
&rst
ixpk= 261, nxpk= 0, iat= 403, 416, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 36 LEU QQD 40 HIE HB2 3.97 (#peak 680)
&rst
ixpk= 680, nxpk= 0, iat= 403, 448, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, &end
#
# 36 LEU QQD 40 HIE HB3 3.07 (#peak 679)
&rst
ixpk= 679, nxpk= 0, iat= 403, 449, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 36 LEU QQD 40 HIE HD2 5.14 (#peak 398)
&rst
ixpk= 398, nxpk= 0, iat= 403, 457, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, &end
#
# 36 LEU QQD 40 HIE HE1 5.06 (#peak 383)
&rst
ixpk= 383, nxpk= 0, iat= 403, 453, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76, &end
#
# 36 LEU QQD 41 LEU HA 3.43 (#peak 761)
&rst
ixpk= 761, nxpk= 0, iat= 403, 463, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 36 LEU QQD 44 ALA H 4.06 (#peak 385)
&rst
ixpk= 385, nxpk= 0, iat= 403, 511, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, &end
#
# 36 LEU QQD 44 ALA QB 2.69 (#peak 588)
&rst
ixpk= 588, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 515, 516, 517,
&end
#
# 37 CYX H 37 CYX QB 3.54 (#peak 31)
&rst
ixpk= 31, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 420, 421,
&end
#
# 37 CYX HA 41 LEU QB 4.92 (#peak 915)
&rst
ixpk= 915, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 465, 466,
&end
#
# 37 CYX HA 41 LEU QQD 4.59 (#peak 797)
&rst
ixpk= 797, nxpk= 0, iat= 418, 467, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, &end
#
# 40 HIE H 43 GLU QG 4.36 (#peak 469)
&rst
ixpk= 469, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 503, 504,
&end
#
# 40 HIE HA 43 GLU QG 4.10 (#peak 846)
&rst
ixpk= 846, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 503, 504,
&end
#
# 41 LEU H 41 LEU QB 3.34 (#peak 41)
&rst
ixpk= 41, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 465, 466,
&end
#
# 41 LEU H 41 LEU QQD 4.21 (#peak 264)
&rst
ixpk= 264, nxpk= 0, iat= 461, 467, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, &end
#
# 41 LEU HA 41 LEU QQD 2.77 (#peak 764)
&rst
ixpk= 764, nxpk= 0, iat= 463, 467, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 41 LEU HA 45 LEU QQD 5.11 (#peak 1038)
&rst
ixpk= 1038, nxpk= 0, iat= 463, 527, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81, &end
#
# 41 LEU QB 41 LEU QQD 2.79 (#peak 580)
&rst
ixpk= 580, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 465, 466,
&end
#
# 41 LEU QB 42 VAL H 3.74 (#peak 249)
&rst
ixpk= 249, nxpk= 0, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 465, 466,
&end
#
# 41 LEU QB 45 LEU QQD 4.04 (#peak 585)
&rst
ixpk= 585, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 465, 466,
&end
#
# 41 LEU QQD 42 VAL HA 4.16 (#peak 670)
&rst
ixpk= 670, nxpk= 0, iat= 467, 482, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, &end
#
# 41 LEU QQD 42 VAL QQG 4.48 (#peak 572)
&rst
ixpk= 572, nxpk= 0, iat= 467, 483, r1= 1.30, r2= 1.80, r3= 8.88, r4= 9.38, &end
#
# 41 LEU QQD 44 ALA H 4.89 (#peak 237)
&rst
ixpk= 237, nxpk= 0, iat= 467, 511, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, &end
#
# 41 LEU QQD 44 ALA QB 3.35 (#peak 590)
&rst
ixpk= 590, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 515, 516, 517,
&end
#
# 41 LEU QQD 45 LEU H 3.96 (#peak 123)
&rst
ixpk= 123, nxpk= 0, iat= 467, 521, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 41 LEU QQD 45 LEU HG 3.08 (#peak 589)
&rst
ixpk= 589, nxpk= 0, iat= 467, 528, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 41 LEU QQD 45 LEU QQD 2.91 (#peak 565)
&rst
ixpk= 565, nxpk= 0, iat= 467, 527, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81, &end
#
# 41 LEU QQD 54 HIE HE1 5.44 (#peak 365)
&rst
ixpk= 365, nxpk= 0, iat= 467, 668, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 41 LEU QQD 56 TYR QD 4.31 (#peak 370)
&rst
ixpk= 370, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2= 704, 713,
&end
#
# 41 LEU QQD 56 TYR QE 3.54 (#peak 362)
&rst
ixpk= 362, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 706, 711,
&end
#
# 42 VAL HA 45 LEU QQD 3.61 (#peak 665)
&rst
ixpk= 665, nxpk= 0, iat= 482, 527, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 42 VAL QQG 45 LEU QQD 3.81 (#peak 576)
&rst
ixpk= 576, nxpk= 0, iat= 483, 527, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71, &end
#
# 42 VAL QQG 56 TYR QB 4.56 (#peak 1034)
&rst
ixpk= 1034, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr2= 700, 701,
&end
#
# 43 GLU H 45 LEU QQD 5.44 (#peak 275)
&rst
ixpk= 275, nxpk= 0, iat= 496, 527, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 43 GLU HA 43 GLU QG 3.49 (#peak 835)
&rst
ixpk= 835, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 503, 504,
&end
#
# 43 GLU QG 44 ALA H 4.09 (#peak 137)
&rst
ixpk= 137, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 503, 504,
&end
#
# 44 ALA HA 47 LEU QQD 4.16 (#peak 779)
&rst
ixpk= 779, nxpk= 0, iat= 513, 567, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, &end
#
# 45 LEU H 45 LEU QQD 3.65 (#peak 274)
&rst
ixpk= 274, nxpk= 0, iat= 521, 527, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 45 LEU HA 45 LEU QQD 2.62 (#peak 751)
&rst
ixpk= 751, nxpk= 0, iat= 523, 527, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 45 LEU QQD 48 VAL H 5.44 (#peak 373)
&rst
ixpk= 373, nxpk= 0, iat= 527, 580, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 45 LEU QQD 48 VAL QG2 4.76 (#peak 572)
&rst
ixpk= 572, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr2= 590, 591, 592,
&end
#
# 45 LEU QQD 49 CYX H 4.93 (#peak 288)
&rst
ixpk= 288, nxpk= 0, iat= 527, 596, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, &end
#
# 45 LEU QQD 54 HIE H 5.44 (#peak 275)
&rst
ixpk= 275, nxpk= 0, iat= 527, 659, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 45 LEU QQD 54 HIE HB2 3.99 (#peak 673)
&rst
ixpk= 673, nxpk= 0, iat= 527, 663, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, &end
#
# 45 LEU QQD 54 HIE HB3 3.79 (#peak 671)
&rst
ixpk= 671, nxpk= 0, iat= 527, 664, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 45 LEU QQD 54 HIE HD2 4.10 (#peak 268)
&rst
ixpk= 268, nxpk= 0, iat= 527, 672, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 45 LEU QQD 54 HIE HE1 4.21 (#peak 266)
&rst
ixpk= 266, nxpk= 0, iat= 527, 668, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, &end
#
# 45 LEU QQD 55 PHE QE 5.44 (#peak 271)
&rst
ixpk= 271, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
igr2= 686, 690,
&end
#
# 45 LEU QQD 56 TYR H 4.46 (#peak 266)
&rst
ixpk= 266, nxpk= 0, iat= 527, 696, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, &end
#
# 45 LEU QQD 56 TYR HA 5.40 (#peak 1037)
&rst
ixpk= 1037, nxpk= 0, iat= 527, 698, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10, &end
#
# 45 LEU QQD 56 TYR QB 3.58 (#peak 667)
&rst
ixpk= 667, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 700, 701,
&end
#
# 45 LEU QQD 56 TYR QD 3.58 (#peak 270)
&rst
ixpk= 270, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 704, 713,
&end
#
# 45 LEU QQD 56 TYR QE 3.93 (#peak 269)
&rst
ixpk= 269, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 706, 711,
&end
#
# 46 TYR QD 47 LEU QB 4.75 (#peak 259)
&rst
ixpk= 259, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 548, 557,
igr2= 565, 566,
&end
#
# 46 TYR QD 47 LEU QQD 4.10 (#peak 402)
&rst
ixpk= 402, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 548, 557,
&end
#
# 46 TYR QE 47 LEU QB 5.34 (#peak 997)
&rst
ixpk= 997, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 550, 555,
igr2= 565, 566,
&end
#
# 46 TYR QE 47 LEU QQD 3.84 (#peak 409)
&rst
ixpk= 409, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 550, 555,
&end
#
# 47 LEU H 47 LEU QB 3.23 (#peak 125)
&rst
ixpk= 125, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 565, 566,
&end
#
# 47 LEU H 47 LEU QQD 4.26 (#peak 390)
&rst
ixpk= 390, nxpk= 0, iat= 561, 567, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, &end
#
# 47 LEU HA 47 LEU QQD 2.74 (#peak 780)
&rst
ixpk= 780, nxpk= 0, iat= 563, 567, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 47 LEU QB 47 LEU QQD 2.75 (#peak 613)
&rst
ixpk= 613, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 565, 566,
&end
#
# 47 LEU QB 48 VAL HA 4.88 (#peak 1041)
&rst
ixpk= 1041, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 565, 566,
&end
#
# 47 LEU QQD 48 VAL H 4.71 (#peak 375)
&rst
ixpk= 375, nxpk= 0, iat= 567, 580, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, &end
#
# 49 CYX H 50 GLY QA 5.13 (#peak 292)
&rst
ixpk= 292, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 608, 609,
&end
#
# 49 CYX HB3 50 GLY QA 4.61 (#peak 727)
&rst
ixpk= 727, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 608, 609,
&end
#
# 52 ARG H 52 ARG QB 3.46 (#peak 255)
&rst
ixpk= 255, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 632, 633,
&end
#
# 52 ARG H 52 ARG QD 4.28 (#peak 58)
&rst
ixpk= 58, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 638, 639,
&end
#
# 52 ARG HA 52 ARG QD 4.17 (#peak 893)
&rst
ixpk= 893, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 638, 639,
&end
#
# 52 ARG QB 52 ARG QD 3.09 (#peak 696)
&rst
ixpk= 696, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 632, 633,
igr2= 638, 639,
&end
#
# 52 ARG QD 53 GLY H 5.34 (#peak 1003)
&rst
ixpk= 1003, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 638, 639,
&end
#
# 53 GLY QA 54 HIE HD2 4.25 (#peak 1002)
&rst
ixpk= 1002, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 654, 655,
&end
#
# 55 PHE H 55 PHE QB 3.59 (#peak 154)
&rst
ixpk= 154, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 680, 681,
&end
#
# 55 PHE QD 56 TYR QB 4.58 (#peak 474)
&rst
ixpk= 474, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 684, 692,
igr2= 700, 701,
&end
#
# 56 TYR QE 58 PRO QB 3.75 (#peak 465)
&rst
ixpk= 465, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 706, 711,
igr2= 738, 739,
&end
#
# 57 THR HA 58 PRO QB 5.14 (#peak 847)
&rst
ixpk= 847, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 738, 739,
&end
#
# 58 PRO QB 60 THR H 5.23 (#peak 1000)
&rst
ixpk= 1000, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 738, 739,
&end
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