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 |
|
|
603759 |
2na4   |
25927 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 15 VAL QG2 16 SER H 4.26 (#peak 24 #SUP 0.96 #QF 0.96)
&rst
ixpk= 24, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 218, 219, 220,
&end
#
# 15 VAL QG1 16 SER H 4.26 (#peak 25 #SUP 0.94 #QF 0.94)
&rst
ixpk= 25, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 214, 215, 216,
&end
#
# 14 THR QG2 16 SER H 5.50 (#peak 26 #SUP 0.95 #QF 0.95)
&rst
ixpk= 26, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 200, 201, 202,
&end
#
# 42 GLU HB3 16 SER H 5.50 (#peak 27 #SUP 0.95 #QF 0.95)
&rst
ixpk= 27, nxpk= 0, iat= 630, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLU HB2 16 SER H 5.50 (#peak 3027 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3027, nxpk= 0, iat= 629, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 SER H 42 GLU HG2 3.79 (#peak 28 #SUP 0.82 #QF 0.82)
&rst
ixpk= 28, nxpk= 0, iat= 224, 632, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 16 SER H 42 GLU HG3 4.88 (#peak 29 #SUP 0.72 #QF 0.72)
&rst
ixpk= 29, nxpk= 0, iat= 224, 633, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 16 SER H 19 GLY HA3 5.11 (#peak 30 #SUP 0.97 #QF 0.91)
&rst
ixpk= 30, nxpk= 0, iat= 224, 268, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 16 SER H 20 HIS HB3 5.29 (#peak 30 #SUP 0.97 #QF 0.91)
&rst
ixpk= 30, nxpk= 0, iat= 224, 277, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 14 THR HB 16 SER H 5.00 (#peak 33 #SUP 0.76 #QF 0.76)
&rst
ixpk= 33, nxpk= 0, iat= 198, 224, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 THR HA 16 SER H 4.98 (#peak 34 #SUP 0.96 #QF 0.96)
&rst
ixpk= 34, nxpk= 0, iat= 196, 224, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 16 SER H 20 HIS HA 4.07 (#peak 36 #SUP 0.62 #QF 0.62)
&rst
ixpk= 36, nxpk= 0, iat= 224, 274, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 16 SER H 19 GLY H 4.80 (#peak 37 #SUP 0.86 #QF 0.86)
&rst
ixpk= 37, nxpk= 0, iat= 224, 265, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 15 VAL H 16 SER H 3.87 (#peak 38 #SUP 0.88 #QF 0.88)
&rst
ixpk= 38, nxpk= 0, iat= 208, 224, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 54 ILE H 55 THR H 4.59 (#peak 44 #SUP 0.50 #QF 0.50)
&rst
ixpk= 44, nxpk= 0, iat= 808, 827, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 38 LEU HA 55 THR H 4.84 (#peak 50 #SUP 0.68 #QF 0.68)
&rst
ixpk= 50, nxpk= 0, iat= 561, 827, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 39 THR HB 55 THR H 5.50 (#peak 52 #SUP 0.90 #QF 0.90)
&rst
ixpk= 52, nxpk= 0, iat= 582, 827, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 THR H 56 VAL H 4.51 (#peak 60 #SUP 0.68 #QF 0.68)
&rst
ixpk= 60, nxpk= 0, iat= 827, 841, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 57 ASN H 58 GLN H 4.07 (#peak 64 #SUP 0.98 #QF 0.98)
&rst
ixpk= 64, nxpk= 0, iat= 857, 871, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 56 VAL H 57 ASN H 4.4 (#peak 65 #SUP 0.99 #QF 0.99)
&rst
ixpk= 65, nxpk= 0, iat= 841, 857, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 57 ASN H 59 ASP H 4.50 (#peak 66 #SUP 0.99 #QF 0.99)
&rst
ixpk= 66, nxpk= 0, iat= 857, 888, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 LEU HA 57 ASN H 4.20 (#peak 67 #SUP 0.95 #QF 0.95)
&rst
ixpk= 67, nxpk= 0, iat= 561, 857, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 56 VAL HA 57 ASN H 2.78 (#peak 69 #SUP 0.81 #QF 0.81)
&rst
ixpk= 69, nxpk= 0, iat= 843, 857, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 57 ASN H 57 ASN HA 2.81 (#peak 71 #SUP 0.91 #QF 0.91)
&rst
ixpk= 71, nxpk= 0, iat= 857, 859, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 39 THR HB 57 ASN H 5.50 (#peak 72 #SUP 0.60 #QF 0.60)
&rst
ixpk= 72, nxpk= 0, iat= 582, 857, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 THR HB 57 ASN H 5.5 (#peak 73 #SUP 0.91 #QF 0.91)
&rst
ixpk= 73, nxpk= 0, iat= 831, 857, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 ASN H 57 ASN HB2 4.07 (#peak 75 #SUP 1.00)
&rst
ixpk= 75, nxpk= 0, iat= 857, 861, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 56 VAL QQG 57 ASN H 3.49 (#peak 79 #SUP 0.99 #QF 0.99)
&rst
ixpk= 79, nxpk= 0, iat= 844, 857, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 10 LEU HA 11 THR H 2.98 (#peak 81 #SUP 0.93 #QF 0.93)
&rst
ixpk= 81, nxpk= 0, iat= 134, 151, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 11 THR H 12 ASP H 4.48 (#peak 85 #SUP 0.89 #QF 0.89)
&rst
ixpk= 85, nxpk= 0, iat= 151, 165, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 10 LEU H 11 THR H 4.40 (#peak 88 #SUP 0.95 #QF 0.95)
&rst
ixpk= 88, nxpk= 0, iat= 132, 151, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 11 THR H 23 TYR QE 4.49 (#peak 89 #SUP 0.98 #QF 0.98)
&rst
ixpk= 89, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 331, 336,
&end
#
# 11 THR H 39 THR HA 3.91 (#peak 91 #SUP 0.70 #QF 0.70)
&rst
ixpk= 91, nxpk= 0, iat= 151, 580, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 11 THR H 11 THR HB 3.29 (#peak 94 #SUP 0.87 #QF 0.87)
&rst
ixpk= 94, nxpk= 0, iat= 151, 155, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 10 LEU HB2 11 THR H 4.62 (#peak 95 #SUP 0.99 #QF 0.99)
&rst
ixpk= 95, nxpk= 0, iat= 136, 151, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 10 LEU HG 11 THR H 4.66 (#peak 96 #SUP 0.90 #QF 0.90)
&rst
ixpk= 96, nxpk= 0, iat= 139, 151, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 10 LEU HB3 11 THR H 4.07 (#peak 97 #SUP 0.90 #QF 0.90)
&rst
ixpk= 97, nxpk= 0, iat= 137, 151, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 11 THR H 11 THR QG2 3.85 (#peak 98 #SUP 0.96 #QF 0.96)
&rst
ixpk= 98, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 157, 158, 159,
&end
#
# 10 LEU QD2 11 THR H 4.18 (#peak 99 #SUP 0.99 #QF 0.99)
&rst
ixpk= 99, nxpk= 0, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 145, 146, 147,
&end
#
# 40 ILE H 41 ASN H 5.22 (#peak 102 #SUP 0.98 #QF 0.66)
&rst
ixpk= 102, nxpk= 0, iat= 592, 611, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 41 ASN H 54 ILE H 5.29 (#peak 104 #SUP 0.93 #QF 0.93)
&rst
ixpk= 104, nxpk= 0, iat= 611, 808, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 41 ASN H 55 THR H 5.01 (#peak 106 #SUP 0.98 #QF 0.98)
&rst
ixpk= 106, nxpk= 0, iat= 611, 827, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 41 ASN H 41 ASN HD21 4.10 (#peak 107 #SUP 1.00)
&rst
ixpk= 107, nxpk= 0, iat= 611, 621, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 41 ASN H 41 ASN HD22 4.10 (#peak 108 #SUP 0.99 #QF 0.99)
&rst
ixpk= 108, nxpk= 0, iat= 611, 620, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 41 ASN H 54 ILE HA 3.94 (#peak 109 #SUP 0.84 #QF 0.84)
&rst
ixpk= 109, nxpk= 0, iat= 611, 810, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 41 ASN H 52 ILE HA 4.67 (#peak 110 #SUP 0.92 #QF 0.92)
&rst
ixpk= 110, nxpk= 0, iat= 611, 777, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 40 ILE HA 41 ASN H 3.01 (#peak 113 #SUP 0.92 #QF 0.92)
&rst
ixpk= 113, nxpk= 0, iat= 594, 611, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 41 ASN H 41 ASN HB2 3.60 (#peak 115 #SUP 0.96 #QF 0.96)
&rst
ixpk= 115, nxpk= 0, iat= 611, 615, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 41 ASN H 41 ASN HB3 4.03 (#peak 116 #SUP 1.00)
&rst
ixpk= 116, nxpk= 0, iat= 611, 616, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 40 ILE HB 41 ASN H 4.40 (#peak 117 #SUP 1.00)
&rst
ixpk= 117, nxpk= 0, iat= 596, 611, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 40 ILE QG1 41 ASN H 4.48 (#peak 118 #SUP 1.00)
&rst
ixpk= 118, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 602, 603,
&end
#
# 40 ILE QG2 41 ASN H 3.40 (#peak 120 #SUP 0.56 #QF 0.56)
&rst
ixpk= 120, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 598, 599, 600,
&end
#
# 41 ASN H 52 ILE QG2 4.10 (#peak 122 #SUP 0.98 #QF 0.98)
&rst
ixpk= 122, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 781, 782, 783,
&end
#
# 54 ILE QD1 55 THR H 3.33 (#peak 125 #SUP 0.98 #QF 0.98)
&rst
ixpk= 125, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 821, 822, 823,
&end
#
# 39 THR QG2 55 THR H 3.88 (#peak 126 #SUP 0.92 #QF 0.87)
&rst
ixpk= 126, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 584, 585, 586,
&end
#
# 55 THR H 55 THR QG2 3.42 (#peak 127 #SUP 0.92 #QF 0.92)
&rst
ixpk= 127, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 833, 834, 835,
&end
#
# 55 THR H 56 VAL QQG 5.5 (#peak 128 #SUP 0.99 #QF 0.99)
&rst
ixpk= 128, nxpk= 0, iat= 827, 844, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 54 ILE QG1 55 THR H 4.31 (#peak 129 #SUP 0.99 #QF 0.51)
&rst
ixpk= 129, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 818, 819,
&end
#
# 54 ILE HB 55 THR H 4.53 (#peak 130 #SUP 0.92 #QF 0.92)
&rst
ixpk= 130, nxpk= 0, iat= 812, 827, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 55 THR H 55 THR HB 4.13 (#peak 131 #SUP 0.93 #QF 0.93)
&rst
ixpk= 131, nxpk= 0, iat= 827, 831, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 55 THR H 60 VAL HA 4.81 (#peak 132 #SUP 0.98 #QF 0.98)
&rst
ixpk= 132, nxpk= 0, iat= 827, 902, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 40 ILE HA 55 THR H 4.00 (#peak 134 #SUP 0.60 #QF 0.60)
&rst
ixpk= 134, nxpk= 0, iat= 594, 827, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 54 ILE HA 55 THR H 2.86 (#peak 139 #SUP 0.89 #QF 0.89)
&rst
ixpk= 139, nxpk= 0, iat= 810, 827, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 41 ASN HD22 55 THR H 4.40 (#peak 140 #SUP 0.99 #QF 0.99)
&rst
ixpk= 140, nxpk= 0, iat= 620, 827, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 41 ASN HD21 55 THR H 4.40 (#peak 141 #SUP 0.98 #QF 0.98)
&rst
ixpk= 141, nxpk= 0, iat= 621, 827, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 39 THR H 55 THR H 3.72 (#peak 142 #SUP 0.99 #QF 0.99)
&rst
ixpk= 142, nxpk= 0, iat= 578, 827, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 55 THR H 61 ILE H 5.38 (#peak 143 #SUP 1.00)
&rst
ixpk= 143, nxpk= 0, iat= 827, 916, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 15 VAL H 15 VAL QG1 4.05 (#peak 147 #SUP 0.99 #QF 0.99)
&rst
ixpk= 147, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 214, 215, 216,
&end
#
# 14 THR QG2 15 VAL H 4.21 (#peak 148 #SUP 0.94 #QF 0.94)
&rst
ixpk= 148, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 200, 201, 202,
&end
#
# 15 VAL H 42 GLU HB3 4.59 (#peak 149 #SUP 0.98 #QF 0.98)
&rst
ixpk= 149, nxpk= 0, iat= 208, 630, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 15 VAL H 42 GLU HB2 5.00 (#peak 150 #SUP 0.63 #QF 0.63)
&rst
ixpk= 150, nxpk= 0, iat= 208, 629, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 VAL H 42 GLU HG2 3.68 (#peak 151 #SUP 0.99 #QF 0.57)
&rst
ixpk= 151, nxpk= 0, iat= 208, 632, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 15 VAL H 42 GLU HG3 4.54 (#peak 152 #SUP 0.81 #QF 0.81)
&rst
ixpk= 152, nxpk= 0, iat= 208, 633, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 15 VAL H 16 SER HA 5.29 (#peak 154 #SUP 0.77 #QF 0.77)
&rst
ixpk= 154, nxpk= 0, iat= 208, 226, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 14 THR HB 15 VAL H 3.73 (#peak 155 #SUP 0.66 #QF 0.66)
&rst
ixpk= 155, nxpk= 0, iat= 198, 208, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 14 THR HA 15 VAL H 3.51 (#peak 156 #SUP 0.99 #QF 0.99)
&rst
ixpk= 156, nxpk= 0, iat= 196, 208, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 15 VAL H 20 HIS HA 5.50 (#peak 158 #SUP 0.57 #QF 0.57)
&rst
ixpk= 158, nxpk= 0, iat= 208, 274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 GLU H 75 LYS HG3 5.50 (#peak 159 #SUP 0.92 #QF 0.92)
&rst
ixpk= 159, nxpk= 0, iat=1156,1179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 GLU H 74 GLU HB3 3.18 (#peak 162 #SUP 0.99 #QF 0.99)
&rst
ixpk= 162, nxpk= 0, iat=1156,1161, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 74 GLU H 74 GLU HB2 3.14 (#peak 163 #SUP 0.98 #QF 0.98)
&rst
ixpk= 163, nxpk= 0, iat=1156,1160, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 74 GLU H 74 GLU QG 3.97 (#peak 164 #SUP 1.00)
&rst
ixpk= 164, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1163,1164,
&end
#
# 74 GLU H 75 LYS QE 4.28 (#peak 166 #SUP 0.87 #QF 0.87)
&rst
ixpk= 166, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1184,1185,
&end
#
# 73 PHE HB3 74 GLU H 3.63 (#peak 168 #SUP 0.98 #QF 0.98)
&rst
ixpk= 168, nxpk= 0, iat=1141,1156, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 72 ASP HA 74 GLU H 4.49 (#peak 173 #SUP 0.89 #QF 0.89)
&rst
ixpk= 173, nxpk= 0, iat=1126,1156, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 73 PHE QD 74 GLU H 3.41 (#peak 174 #SUP 0.98 #QF 0.98)
&rst
ixpk= 174, nxpk= 0, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1=1144,1152,
&end
#
# 74 GLU H 75 LYS H 3.23 (#peak 175 #SUP 0.98 #QF 0.98)
&rst
ixpk= 175, nxpk= 0, iat=1156,1171, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 73 PHE H 74 GLU H 3.38 (#peak 176 #SUP 0.95 #QF 0.95)
&rst
ixpk= 176, nxpk= 0, iat=1136,1156, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 54 ILE H 61 ILE H 5.05 (#peak 178 #SUP 0.95 #QF 0.95)
&rst
ixpk= 178, nxpk= 0, iat= 808, 916, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 54 ILE H 62 PHE H 3.92 (#peak 179 #SUP 0.99 #QF 0.99)
&rst
ixpk= 179, nxpk= 0, iat= 808, 935, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 54 ILE H 62 PHE QD 4.51 (#peak 180 #SUP 0.96 #QF 0.96)
&rst
ixpk= 180, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 943, 951,
&end
#
# 53 THR HA 54 ILE H 3.10 (#peak 182 #SUP 0.91 #QF 0.89)
&rst
ixpk= 182, nxpk= 0, iat= 796, 808, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 53 THR HB 54 ILE H 4.61 (#peak 183 #SUP 0.99 #QF 0.99)
&rst
ixpk= 183, nxpk= 0, iat= 798, 808, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 54 ILE H 54 ILE HB 3.72 (#peak 185 #SUP 1.00 #QF 0.98)
&rst
ixpk= 185, nxpk= 0, iat= 808, 812, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 54 ILE H 54 ILE QG1 4.30 (#peak 186 #SUP 1.00)
&rst
ixpk= 186, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 818, 819,
&end
#
# 54 ILE H 55 THR QG2 4.70 (#peak 188 #SUP 0.91 #QF 0.91)
&rst
ixpk= 188, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 833, 834, 835,
&end
#
# 54 ILE H 54 ILE QG2 3.88 (#peak 189 #SUP 0.90 #QF 0.85)
&rst
ixpk= 189, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 814, 815, 816,
&end
#
# 23 TYR H 52 ILE QD1 4.86 (#peak 192 #SUP 0.83 #QF 0.83)
&rst
ixpk= 192, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 788, 789, 790,
&end
#
# 23 TYR H 40 ILE QG2 4.33 (#peak 194 #SUP 0.99 #QF 0.99)
&rst
ixpk= 194, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 598, 599, 600,
&end
#
# 23 TYR H 24 ARG QB 5.27 (#peak 196 #SUP 0.97 #QF 0.97)
&rst
ixpk= 196, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 346, 347,
&end
#
# 23 TYR H 40 ILE HB 5.5 (#peak 197 #SUP 0.99 #QF 0.99)
&rst
ixpk= 197, nxpk= 0, iat= 321, 596, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 TYR H 26 PHE HB3 5.06 (#peak 198 #SUP 0.91 #QF 0.91)
&rst
ixpk= 198, nxpk= 0, iat= 321, 381, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 23 TYR H 23 TYR HB2 3.42 (#peak 199 #SUP 0.98 #QF 0.98)
&rst
ixpk= 199, nxpk= 0, iat= 321, 325, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 22 PHE HB2 23 TYR H 3.85 (#peak 200 #SUP 0.96 #QF 0.96)
&rst
ixpk= 200, nxpk= 0, iat= 305, 321, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 23 TYR H 23 TYR HB3 3.36 (#peak 201 #SUP 0.97 #QF 0.97)
&rst
ixpk= 201, nxpk= 0, iat= 321, 326, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 22 PHE HB3 23 TYR H 3.52 (#peak 202 #SUP 0.96 #QF 0.96)
&rst
ixpk= 202, nxpk= 0, iat= 306, 321, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 20 HIS HA 23 TYR H 4.28 (#peak 205 #SUP 0.82 #QF 0.82)
&rst
ixpk= 205, nxpk= 0, iat= 274, 321, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 22 PHE QD 23 TYR H 3.85 (#peak 206 #SUP 0.99 #QF 0.99)
&rst
ixpk= 206, nxpk= 0, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 309, 317,
&end
#
# 23 TYR H 73 PHE HZ 5.20 (#peak 208 #SUP 0.96 #QF 0.96)
&rst
ixpk= 208, nxpk= 0, iat= 321,1148, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 23 TYR H 73 PHE QE 5.07 (#peak 209 #SUP 0.67 #QF 0.67)
&rst
ixpk= 209, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1146,1150,
&end
#
# 23 TYR H 25 ALA H 4.85 (#peak 210 #SUP 0.96 #QF 0.96)
&rst
ixpk= 210, nxpk= 0, iat= 321, 366, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 23 TYR H 24 ARG H 3.56 (#peak 211 #SUP 0.98 #QF 0.98)
&rst
ixpk= 211, nxpk= 0, iat= 321, 342, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 22 PHE H 23 TYR H 3.53 (#peak 212 #SUP 0.98 #QF 0.98)
&rst
ixpk= 212, nxpk= 0, iat= 301, 321, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 55 THR HA 61 ILE H 3.71 (#peak 217 #SUP 0.97 #QF 0.97)
&rst
ixpk= 217, nxpk= 0, iat= 829, 916, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 61 ILE H 62 PHE HA 4.58 (#peak 219 #SUP 0.96 #QF 0.96)
&rst
ixpk= 219, nxpk= 0, iat= 916, 937, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 60 VAL HA 61 ILE H 3.15 (#peak 221 #SUP 0.97 #QF 0.97)
&rst
ixpk= 221, nxpk= 0, iat= 902, 916, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 55 THR HB 61 ILE H 5.46 (#peak 222 #SUP 0.97 #QF 0.97)
&rst
ixpk= 222, nxpk= 0, iat= 831, 916, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 61 ILE H 62 PHE HB3 4.62 (#peak 223 #SUP 0.99 #QF 0.99)
&rst
ixpk= 223, nxpk= 0, iat= 916, 940, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 60 VAL HB 61 ILE H 4.14 (#peak 224 #SUP 1.00 #QF 0.41)
&rst
ixpk= 224, nxpk= 0, iat= 904, 916, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 61 ILE H 87 ALA QB 5.12 (#peak 226 #SUP 1.00)
&rst
ixpk= 226, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1362,1363,1364,
&end
#
# 61 ILE H 61 ILE HG13 3.68 (#peak 227 #SUP 1.00)
&rst
ixpk= 227, nxpk= 0, iat= 916, 927, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 61 ILE H 61 ILE HG12 3.62 (#peak 228 #SUP 0.99 #QF 0.99)
&rst
ixpk= 228, nxpk= 0, iat= 916, 926, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 56 VAL QQG 61 ILE H 5 (#peak 229 #SUP 0.83 #QF 0.83)
&rst
ixpk= 229, nxpk= 0, iat= 844, 916, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 61 ILE H 61 ILE QG2 4.03 (#peak 230 #SUP 1.00 #QF 0.89)
&rst
ixpk= 230, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 922, 923, 924,
&end
#
# 52 ILE H 52 ILE QG2 3.90 (#peak 232 #SUP 1.00)
&rst
ixpk= 232, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 781, 782, 783,
&end
#
# 52 ILE H 52 ILE HG13 4.24 (#peak 233 #SUP 1.00 #QF 0.90)
&rst
ixpk= 233, nxpk= 0, iat= 775, 786, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 52 ILE H 64 THR QG2 4.21 (#peak 234 #SUP 0.97 #QF 0.97)
&rst
ixpk= 234, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 978, 979, 980,
&end
#
# 52 ILE H 52 ILE HG12 3.99 (#peak 235 #SUP 1.00 #QF 0.99)
&rst
ixpk= 235, nxpk= 0, iat= 775, 785, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 52 ILE H 66 LEU HG 4.97 (#peak 236 #SUP 0.78 #QF 0.78)
&rst
ixpk= 236, nxpk= 0, iat= 775,1013, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 52 ILE H 52 ILE HB 3.39 (#peak 237 #SUP 0.99 #QF 0.99)
&rst
ixpk= 237, nxpk= 0, iat= 775, 779, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 52 ILE H 63 GLN QB 5.33 (#peak 238 #SUP 0.54 #QF 0.54)
&rst
ixpk= 238, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 959, 960,
&end
#
# 52 ILE H 65 PHE HA 3.75 (#peak 241 #SUP 0.42 #QF 0.42)
&rst
ixpk= 241, nxpk= 0, iat= 775, 988, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 51 TRP HA 52 ILE H 3.10 (#peak 243 #SUP 0.88 #QF 0.88)
&rst
ixpk= 243, nxpk= 0, iat= 753, 775, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 52 ILE H 51 TRP QB 5 (#peak 240 #SUP 0.90 #QF 0.90)
&rst
ixpk= 240, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 755, 756,
&end
#
# 51 TRP HE3 52 ILE H 4.14 (#peak 247 #SUP 0.76 #QF 0.76)
&rst
ixpk= 247, nxpk= 0, iat= 770, 775, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 52 ILE H 66 LEU H 3.95 (#peak 248 #SUP 0.98 #QF 0.98)
&rst
ixpk= 248, nxpk= 0, iat= 775,1006, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 52 ILE H 64 THR H 4.09 (#peak 249 #SUP 0.98 #QF 0.98)
&rst
ixpk= 249, nxpk= 0, iat= 775, 972, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 16 SER H 20 HIS H 4.59 (#peak 252 #SUP 0.71 #QF 0.71)
&rst
ixpk= 252, nxpk= 0, iat= 224, 272, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 16 SER H 17 SER H 4.60 (#peak 253 #SUP 0.90 #QF 0.90)
&rst
ixpk= 253, nxpk= 0, iat= 224, 235, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 17 SER H 18 ILE H 3.90 (#peak 254 #SUP 0.99 #QF 0.99)
&rst
ixpk= 254, nxpk= 0, iat= 235, 246, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 17 SER H 17 SER HA 3.90 (#peak 258 #SUP 0.99 #QF 0.99)
&rst
ixpk= 258, nxpk= 0, iat= 235, 237, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 17 SER H 17 SER QB 3.37 (#peak 259 #SUP 0.99 #QF 0.99)
&rst
ixpk= 259, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 239, 240,
&end
#
# 16 SER QB 17 SER H 4.09 (#peak 261 #SUP 0.60 #QF 0.60)
&rst
ixpk= 261, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 228, 229,
&end
#
# 13 HIS H 13 HIS HB2 3.61 (#peak 267 #SUP 0.97 #QF 0.97)
&rst
ixpk= 267, nxpk= 0, iat= 177, 181, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 11 THR HB 12 ASP H 4.50 (#peak 268 #SUP 0.98 #QF 0.98)
&rst
ixpk= 268, nxpk= 0, iat= 155, 165, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 THR HA 12 ASP H 2.77 (#peak 269 #SUP 0.92 #QF 0.77)
&rst
ixpk= 269, nxpk= 0, iat= 153, 165, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 12 ASP HA 13 HIS H 3.04 (#peak 269 #SUP 0.92 #QF 0.77)
&rst
ixpk= 269, nxpk= 0, iat= 167, 177, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 11 THR QG2 12 ASP H 2.92 (#peak 271 #SUP 0.71 #QF 0.71)
&rst
ixpk= 271, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1= 157, 158, 159,
&end
#
# 10 LEU HB3 12 ASP H 5.49 (#peak 274 #SUP 0.96 #QF 0.96)
&rst
ixpk= 274, nxpk= 0, iat= 137, 165, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 13 HIS H 40 ILE HB 4.33 (#peak 275 #SUP 0.93 #QF 0.93)
&rst
ixpk= 275, nxpk= 0, iat= 177, 596, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 12 ASP H 12 ASP HB3 3.41 (#peak 276 #SUP 0.79 #QF 0.79)
&rst
ixpk= 276, nxpk= 0, iat= 165, 170, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 13 HIS H 13 HIS HB3 4.01 (#peak 279 #SUP 0.88 #QF 0.88)
&rst
ixpk= 279, nxpk= 0, iat= 177, 182, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 13 HIS H 14 THR HA 5.07 (#peak 280 #SUP 0.92 #QF 0.92)
&rst
ixpk= 280, nxpk= 0, iat= 177, 196, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 13 HIS H 41 ASN HA 4.33 (#peak 282 #SUP 0.57 #QF 0.57)
&rst
ixpk= 282, nxpk= 0, iat= 177, 613, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 12 ASP H 23 TYR QE 4.20 (#peak 284 #SUP 0.90 #QF 0.90)
&rst
ixpk= 284, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 331, 336,
&end
#
# 13 HIS H 23 TYR QD 4.24 (#peak 285 #SUP 0.87 #QF 0.87)
&rst
ixpk= 285, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 329, 338,
&end
#
# 13 HIS H 13 HIS HD2 4.54 (#peak 289 #SUP 0.97 #QF 0.97)
&rst
ixpk= 289, nxpk= 0, iat= 177, 190, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 39 THR H 54 ILE QD1 3.95 (#peak 292 #SUP 0.99 #QF 0.99)
&rst
ixpk= 292, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 821, 822, 823,
&end
#
# 39 THR H 39 THR QG2 3.82 (#peak 293 #SUP 0.93 #QF 0.93)
&rst
ixpk= 293, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 584, 585, 586,
&end
#
# 39 THR H 56 VAL QQG 4.89 (#peak 295 #SUP 0.99 #QF 0.99)
&rst
ixpk= 295, nxpk= 0, iat= 578, 844, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, &end
#
# 38 LEU HB3 39 THR H 4.26 (#peak 296 #SUP 0.94 #QF 0.94)
&rst
ixpk= 296, nxpk= 0, iat= 564, 578, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 38 LEU HG 39 THR H 4.08 (#peak 297 #SUP 0.28 #QF 0.28)
&rst
ixpk= 297, nxpk= 0, iat= 566, 578, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 38 LEU HB2 39 THR H 4.05 (#peak 298 #SUP 0.99 #QF 0.99)
&rst
ixpk= 298, nxpk= 0, iat= 563, 578, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 39 THR H 39 THR HB 3.42 (#peak 299 #SUP 0.92 #QF 0.92)
&rst
ixpk= 299, nxpk= 0, iat= 578, 582, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 39 THR H 56 VAL HA 4.50 (#peak 301 #SUP 0.89 #QF 0.89)
&rst
ixpk= 301, nxpk= 0, iat= 578, 843, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 LEU HA 39 THR H 2.86 (#peak 303 #SUP 0.94 #QF 0.94)
&rst
ixpk= 303, nxpk= 0, iat= 561, 578, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 39 THR H 54 ILE HA 4.66 (#peak 304 #SUP 0.92 #QF 0.92)
&rst
ixpk= 304, nxpk= 0, iat= 578, 810, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 19 GLY HA3 20 HIS H 3.47 (#peak 312 #SUP 0.99 #QF 0.93)
&rst
ixpk= 312, nxpk= 0, iat= 268, 272, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 20 HIS H 20 HIS HB3 3.63 (#peak 312 #SUP 0.99 #QF 0.93)
&rst
ixpk= 312, nxpk= 0, iat= 272, 277, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 20 HIS H 20 HIS HB2 3.34 (#peak 313 #SUP 0.89 #QF 0.89)
&rst
ixpk= 313, nxpk= 0, iat= 272, 276, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 20 HIS H 21 ASP HB2 4.81 (#peak 315 #SUP 0.89 #QF 0.89)
&rst
ixpk= 315, nxpk= 0, iat= 272, 293, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 18 ILE HG13 20 HIS H 5.50 (#peak 316 #SUP 0.99 #QF 0.64)
&rst
ixpk= 316, nxpk= 0, iat= 257, 272, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 HIS H 52 ILE QD1 5.07 (#peak 318 #SUP 0.95 #QF 0.95)
&rst
ixpk= 318, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 788, 789, 790,
&end
#
# 22 PHE H 66 LEU QD2 5.50 (#peak 320 #SUP 0.81 #QF 0.81)
&rst
ixpk= 320, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1019,1020,1021,
&end
#
# 22 PHE H 66 LEU QD1 5.50 (#peak 321 #SUP 0.93 #QF 0.93)
&rst
ixpk= 321, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1015,1016,1017,
&end
#
# 22 PHE H 25 ALA QB 4.74 (#peak 323 #SUP 0.99 #QF 0.99)
&rst
ixpk= 323, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 370, 371, 372,
&end
#
# 21 ASP HB3 22 PHE H 3.88 (#peak 326 #SUP 1.00)
&rst
ixpk= 326, nxpk= 0, iat= 294, 301, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 21 ASP HB2 22 PHE H 3.61 (#peak 327 #SUP 0.98 #QF 0.98)
&rst
ixpk= 327, nxpk= 0, iat= 293, 301, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 22 PHE H 22 PHE HB2 3.33 (#peak 328 #SUP 0.96 #QF 0.96)
&rst
ixpk= 328, nxpk= 0, iat= 301, 305, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 22 PHE H 23 TYR HB3 5.00 (#peak 329 #SUP 0.94 #QF 0.94)
&rst
ixpk= 329, nxpk= 0, iat= 301, 326, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 GLY HA3 22 PHE H 4.5 (#peak 330 #SUP 0.85 #QF 0.85)
&rst
ixpk= 330, nxpk= 0, iat= 268, 301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 PHE H 22 PHE HB3 3.47 (#peak 331 #SUP 0.97 #QF 0.97)
&rst
ixpk= 331, nxpk= 0, iat= 301, 306, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 22 PHE H 23 TYR HA 5.50 (#peak 332 #SUP 0.63 #QF 0.63)
&rst
ixpk= 332, nxpk= 0, iat= 301, 323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 HIS HA 22 PHE H 4.75 (#peak 335 #SUP 0.81 #QF 0.81)
&rst
ixpk= 335, nxpk= 0, iat= 274, 301, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 22 PHE H 22 PHE QD 4.35 (#peak 336 #SUP 0.98 #QF 0.98)
&rst
ixpk= 336, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 309, 317,
&end
#
# 22 PHE H 73 PHE HZ 3.99 (#peak 337 #SUP 0.96 #QF 0.96)
&rst
ixpk= 337, nxpk= 0, iat= 301,1148, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 22 PHE H 73 PHE QE 3.76 (#peak 338 #SUP 0.96 #QF 0.96)
&rst
ixpk= 338, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1146,1150,
&end
#
# 21 ASP H 22 PHE H 3.52 (#peak 339 #SUP 0.95 #QF 0.95)
&rst
ixpk= 339, nxpk= 0, iat= 289, 301, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 20 HIS H 22 PHE H 4.28 (#peak 341 #SUP 0.61 #QF 0.61)
&rst
ixpk= 341, nxpk= 0, iat= 272, 301, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 46 ALA H 46 ALA QB 3.18 (#peak 343 #SUP 0.92 #QF 0.92)
&rst
ixpk= 343, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 693, 694, 695,
&end
#
# 45 SER QB 46 ALA H 4.43 (#peak 344 #SUP 0.89 #QF 0.89)
&rst
ixpk= 344, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 682, 683,
&end
#
# 45 SER HA 46 ALA H 3.30 (#peak 347 #SUP 0.80 #QF 0.80)
&rst
ixpk= 347, nxpk= 0, iat= 680, 689, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 60 VAL H 61 ILE H 4.73 (#peak 349 #SUP 0.99 #QF 0.99)
&rst
ixpk= 349, nxpk= 0, iat= 900, 916, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 59 ASP H 60 VAL H 4.49 (#peak 350 #SUP 0.99 #QF 0.99)
&rst
ixpk= 350, nxpk= 0, iat= 888, 900, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 55 THR HA 60 VAL H 4.90 (#peak 351 #SUP 0.85 #QF 0.85)
&rst
ixpk= 351, nxpk= 0, iat= 829, 900, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 59 ASP HA 60 VAL H 2.58 (#peak 352 #SUP 0.74 #QF 0.74)
&rst
ixpk= 352, nxpk= 0, iat= 890, 900, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08, &end
#
# 60 VAL H 60 VAL HB 3.07 (#peak 357 #SUP 0.96 #QF 0.96)
&rst
ixpk= 357, nxpk= 0, iat= 900, 904, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 60 VAL H 60 VAL QG1 3.87 (#peak 360 #SUP 0.83 #QF 0.83)
&rst
ixpk= 360, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 906, 907, 908,
&end
#
# 60 VAL H 60 VAL QG2 3.87 (#peak 361 #SUP 0.82 #QF 0.82)
&rst
ixpk= 361, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 910, 911, 912,
&end
#
# 82 ILE QG1 83 GLN H 4.24 (#peak 364 #SUP 0.95 #QF 0.95)
&rst
ixpk= 364, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1288,1289,
&end
#
# 82 ILE HB 83 GLN H 3.18 (#peak 366 #SUP 0.98 #QF 0.98)
&rst
ixpk= 366, nxpk= 0, iat=1282,1297, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 83 GLN H 83 GLN HB2 3.25 (#peak 367 #SUP 0.99 #QF 0.99)
&rst
ixpk= 367, nxpk= 0, iat=1297,1301, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 83 GLN H 83 GLN HB3 3.74 (#peak 368 #SUP 1.00)
&rst
ixpk= 368, nxpk= 0, iat=1297,1302, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 83 GLN H 83 GLN HG3 3.40 (#peak 369 #SUP 1.00)
&rst
ixpk= 369, nxpk= 0, iat=1297,1305, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 83 GLN H 83 GLN HG2 4.15 (#peak 370 #SUP 1.00)
&rst
ixpk= 370, nxpk= 0, iat=1297,1304, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 80 ALA HA 83 GLN H 4.03 (#peak 371 #SUP 1.00)
&rst
ixpk= 371, nxpk= 0, iat=1251,1297, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 83 GLN H 83 GLN HE21 4.57 (#peak 376 #SUP 0.95 #QF 0.95)
&rst
ixpk= 376, nxpk= 0, iat=1297,1310, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 82 ILE H 83 GLN H 3.39 (#peak 378 #SUP 0.97 #QF 0.97)
&rst
ixpk= 378, nxpk= 0, iat=1278,1297, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 83 GLN H 86 GLU H 5.47 (#peak 379 #SUP 1.00 #QF 0.99)
&rst
ixpk= 379, nxpk= 0, iat=1297,1343, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 83 GLN H 84 THR H 3.46 (#peak 380 #SUP 0.98 #QF 0.98)
&rst
ixpk= 380, nxpk= 0, iat=1297,1314, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 81 LEU H 83 GLN H 4.30 (#peak 381 #SUP 0.92 #QF 0.92)
&rst
ixpk= 381, nxpk= 0, iat=1259,1297, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 33 ASP HB2 34 TYR H 4.50 (#peak 387 #SUP 0.84 #QF 0.50)
&rst
ixpk= 387, nxpk= 0, iat= 495, 503, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 ASP HB3 34 TYR H 4.50 (#peak 387 #SUP 0.84 #QF 0.50)
&rst
ixpk= 387, nxpk= 0, iat= 496, 503, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 TYR H 34 TYR HB2 3.63 (#peak 389 #SUP 0.96 #QF 0.96)
&rst
ixpk= 389, nxpk= 0, iat= 503, 507, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 34 TYR H 34 TYR HB3 3.20 (#peak 390 #SUP 0.96 #QF 0.96)
&rst
ixpk= 390, nxpk= 0, iat= 503, 508, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 32 SER HA 34 TYR H 4.77 (#peak 391 #SUP 0.90 #QF 0.90)
&rst
ixpk= 391, nxpk= 0, iat= 482, 503, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 34 TYR H 34 TYR QE 4.50 (#peak 395 #SUP 0.98 #QF 0.98)
&rst
ixpk= 395, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 513, 518,
&end
#
# 34 TYR H 34 TYR QD 3.46 (#peak 397 #SUP 0.97 #QF 0.97)
&rst
ixpk= 397, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 511, 520,
&end
#
# 52 ILE QD1 64 THR H 5.50 (#peak 407 #SUP 0.99 #QF 0.84)
&rst
ixpk= 407, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 788, 789, 790,
&end
#
# 64 THR H 64 THR QG2 3.26 (#peak 408 #SUP 0.92 #QF 0.92)
&rst
ixpk= 408, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 978, 979, 980,
&end
#
# 52 ILE HB 64 THR H 3.89 (#peak 411 #SUP 0.95 #QF 0.95)
&rst
ixpk= 411, nxpk= 0, iat= 779, 972, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 63 GLN QB 64 THR H 3.37 (#peak 412 #SUP 0.97 #QF 0.97)
&rst
ixpk= 412, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 959, 960,
&end
#
# 63 GLN QG 64 THR H 4.42 (#peak 413 #SUP 0.97 #QF 0.97)
&rst
ixpk= 413, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 962, 963,
&end
#
# 64 THR H 64 THR HB 4.00 (#peak 414 #SUP 0.97 #QF 0.97)
&rst
ixpk= 414, nxpk= 0, iat= 972, 976, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 63 GLN HA 64 THR H 2.88 (#peak 419 #SUP 0.76 #QF 0.76)
&rst
ixpk= 419, nxpk= 0, iat= 957, 972, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 62 PHE HZ 64 THR H 5 (#peak 421 #SUP 0.78 #QF 0.78)
&rst
ixpk= 421, nxpk= 0, iat= 947, 972, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 GLY HA2 21 ASP H 4.22 (#peak 428 #SUP 0.92 #QF 0.92)
&rst
ixpk= 428, nxpk= 0, iat= 267, 289, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 18 ILE HA 21 ASP H 3.72 (#peak 429 #SUP 0.92 #QF 0.92)
&rst
ixpk= 429, nxpk= 0, iat= 248, 289, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 20 HIS HB3 21 ASP H 3.39 (#peak 431 #SUP 0.86 #QF 0.86)
&rst
ixpk= 431, nxpk= 0, iat= 277, 289, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 42 GLU HB2 51 TRP H 4.44 (#peak 434 #SUP 0.97 #QF 0.97)
&rst
ixpk= 434, nxpk= 0, iat= 629, 751, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 11 THR H 40 ILE H 3.99 (#peak 435 #SUP 0.99 #QF 0.99)
&rst
ixpk= 435, nxpk= 0, iat= 151, 592, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 13 HIS H 40 ILE H 4.59 (#peak 436 #SUP 0.99 #QF 0.92)
&rst
ixpk= 436, nxpk= 0, iat= 177, 592, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 39 THR H 40 ILE H 5.03 (#peak 436 #SUP 0.99 #QF 0.92)
&rst
ixpk= 436, nxpk= 0, iat= 578, 592, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 12 ASP HA 40 ILE H 5 (#peak 440 #SUP 0.93 #QF 0.93)
&rst
ixpk= 440, nxpk= 0, iat= 167, 592, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 THR HB 40 ILE H 4.34 (#peak 441 #SUP 0.93 #QF 0.93)
&rst
ixpk= 441, nxpk= 0, iat= 582, 592, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 40 ILE H 40 ILE HB 3.36 (#peak 444 #SUP 0.99 #QF 0.99)
&rst
ixpk= 444, nxpk= 0, iat= 592, 596, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 40 ILE H 40 ILE QG1 3.69 (#peak 445 #SUP 0.94 #QF 0.94)
&rst
ixpk= 445, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 602, 603,
&end
#
# 40 ILE H 40 ILE QG2 3.91 (#peak 447 #SUP 0.74 #QF 0.74)
&rst
ixpk= 447, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 598, 599, 600,
&end
#
# 10 LEU QD2 40 ILE H 4.42 (#peak 449 #SUP 0.45 #QF 0.45)
&rst
ixpk= 449, nxpk= 0, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 145, 146, 147,
&end
#
# 13 HIS HB2 40 ILE H 4.96 (#peak 450 #SUP 0.35 #QF 0.35)
&rst
ixpk= 450, nxpk= 0, iat= 181, 592, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 3 GLU H 4 VAL H 5 (#peak 453 #SUP 0.99 #QF 0.99)
&rst
ixpk= 453, nxpk= 0, iat= 30, 45, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 GLU H 3 GLU HB2 3.74 (#peak 460 #SUP 0.69 #QF 0.69)
&rst
ixpk= 460, nxpk= 0, iat= 30, 34, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 3 GLU H 3 GLU HB3 3.74 (#peak 461 #SUP 1.00)
&rst
ixpk= 461, nxpk= 0, iat= 30, 35, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 10 LEU HA 40 ILE H 4.52 (#peak 463 #SUP 0.69 #QF 0.69)
&rst
ixpk= 463, nxpk= 0, iat= 134, 592, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 23 TYR QD 40 ILE H 4.48 (#peak 464 #SUP 0.99 #QF 0.99)
&rst
ixpk= 464, nxpk= 0, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 329, 338,
&end
#
# 24 ARG H 25 ALA QB 4.32 (#peak 465 #SUP 0.97 #QF 0.97)
&rst
ixpk= 465, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 370, 371, 372,
&end
#
# 24 ARG H 24 ARG HG2 4.19 (#peak 467 #SUP 0.99 #QF 0.99)
&rst
ixpk= 467, nxpk= 0, iat= 342, 349, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 24 ARG H 24 ARG QB 2.88 (#peak 469 #SUP 0.93 #QF 0.93)
&rst
ixpk= 469, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 346, 347,
&end
#
# 23 TYR HB2 24 ARG H 4.21 (#peak 470 #SUP 1.00)
&rst
ixpk= 470, nxpk= 0, iat= 325, 342, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 21 ASP HA 24 ARG H 3.76 (#peak 474 #SUP 0.72 #QF 0.72)
&rst
ixpk= 474, nxpk= 0, iat= 291, 342, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 23 TYR QD 24 ARG H 3.52 (#peak 476 #SUP 0.98 #QF 0.98)
&rst
ixpk= 476, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 329, 338,
&end
#
# 24 ARG H 26 PHE H 4.54 (#peak 478 #SUP 0.86 #QF 0.86)
&rst
ixpk= 478, nxpk= 0, iat= 342, 376, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 56 VAL QQG 58 GLN H 4.45 (#peak 481 #SUP 0.92 #QF 0.92)
&rst
ixpk= 481, nxpk= 0, iat= 844, 871, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15, &end
#
# 58 GLN H 58 GLN HB3 3.63 (#peak 482 #SUP 0.98 #QF 0.98)
&rst
ixpk= 482, nxpk= 0, iat= 871, 876, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 57 ASN HB2 58 GLN H 3.11 (#peak 485 #SUP 0.97 #QF 0.97)
&rst
ixpk= 485, nxpk= 0, iat= 861, 871, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 56 VAL HA 58 GLN H 5.13 (#peak 489 #SUP 0.73 #QF 0.73)
&rst
ixpk= 489, nxpk= 0, iat= 843, 871, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 58 GLN H 59 ASP HA 4.59 (#peak 490 #SUP 0.98 #QF 0.98)
&rst
ixpk= 490, nxpk= 0, iat= 871, 890, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 12 ASP HA 14 THR H 3.61 (#peak 494 #SUP 0.73 #QF 0.73)
&rst
ixpk= 494, nxpk= 0, iat= 167, 194, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 12 ASP HB2 14 THR H 4.08 (#peak 495 #SUP 0.75 #QF 0.75)
&rst
ixpk= 495, nxpk= 0, iat= 169, 194, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 14 THR H 14 THR QG2 3.19 (#peak 496 #SUP 0.85 #QF 0.85)
&rst
ixpk= 496, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 200, 201, 202,
&end
#
# 13 HIS HB3 14 THR H 4.50 (#peak 498 #SUP 0.98 #QF 0.98)
&rst
ixpk= 498, nxpk= 0, iat= 182, 194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 THR H 20 HIS HA 5.19 (#peak 501 #SUP 0.91 #QF 0.91)
&rst
ixpk= 501, nxpk= 0, iat= 194, 274, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 13 HIS HA 14 THR H 3.36 (#peak 503 #SUP 0.92 #QF 0.92)
&rst
ixpk= 503, nxpk= 0, iat= 179, 194, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 13 HIS H 14 THR H 3.40 (#peak 508 #SUP 0.96 #QF 0.96)
&rst
ixpk= 508, nxpk= 0, iat= 177, 194, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 107 GLU H 107 GLU HB3 3.59 (#peak 514 #SUP 0.95 #QF 0.95)
&rst
ixpk= 514, nxpk= 0, iat=1666,1671, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 107 GLU H 107 GLU HG2 4.11 (#peak 517 #SUP 1.00)
&rst
ixpk= 517, nxpk= 0, iat=1666,1673, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 107 GLU H 108 PHE HA 5.50 (#peak 522 #SUP 0.91 #QF 0.91)
&rst
ixpk= 522, nxpk= 0, iat=1666,1683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 ASP HA 107 GLU H 2.94 (#peak 523 #SUP 0.78 #QF 0.78)
&rst
ixpk= 523, nxpk= 0, iat=1656,1666, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 45 SER H 47 ARG H 5.21 (#peak 530 #SUP 0.73 #QF 0.73)
&rst
ixpk= 530, nxpk= 0, iat= 678, 699, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 44 PRO HA 45 SER H 2.80 (#peak 532 #SUP 0.74 #QF 0.74)
&rst
ixpk= 532, nxpk= 0, iat= 674, 678, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 45 SER H 45 SER QB 3.39 (#peak 533 #SUP 0.98 #QF 0.98)
&rst
ixpk= 533, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 682, 683,
&end
#
# 44 PRO HB3 45 SER H 4.27 (#peak 542 #SUP 0.99 #QF 0.99)
&rst
ixpk= 542, nxpk= 0, iat= 672, 678, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 27 SER H 81 LEU QD2 4.92 (#peak 545 #SUP 0.96 #QF 0.96)
&rst
ixpk= 545, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1272,1273,1274,
&end
#
# 10 LEU QD2 27 SER H 4.24 (#peak 547 #SUP 0.59 #QF 0.59)
&rst
ixpk= 547, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 145, 146, 147,
&end
#
# 10 LEU QD1 27 SER H 4.64 (#peak 548 #SUP 0.91 #QF 0.91)
&rst
ixpk= 548, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 141, 142, 143,
&end
#
# 25 ALA QB 27 SER H 5.07 (#peak 549 #SUP 0.97 #QF 0.97)
&rst
ixpk= 549, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 370, 371, 372,
&end
#
# 27 SER H 29 LYS QD 5.50 (#peak 550 #SUP 0.77 #QF 0.34)
&rst
ixpk= 550, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 429, 430,
&end
#
# 26 PHE HB2 27 SER H 3.87 (#peak 551 #SUP 0.99 #QF 0.99)
&rst
ixpk= 551, nxpk= 0, iat= 380, 396, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 26 PHE HB3 27 SER H 3.38 (#peak 552 #SUP 0.97 #QF 0.97)
&rst
ixpk= 552, nxpk= 0, iat= 381, 396, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 27 SER H 28 ASP HB2 4.65 (#peak 553 #SUP 0.96 #QF 0.96)
&rst
ixpk= 553, nxpk= 0, iat= 396, 411, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 24 ARG HA 27 SER H 4.07 (#peak 555 #SUP 0.84 #QF 0.84)
&rst
ixpk= 555, nxpk= 0, iat= 344, 396, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 27 SER H 27 SER HB2 3.64 (#peak 558 #SUP 0.96 #QF 0.96)
&rst
ixpk= 558, nxpk= 0, iat= 396, 400, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 25 ALA HA 27 SER H 5.13 (#peak 560 #SUP 0.99 #QF 0.99)
&rst
ixpk= 560, nxpk= 0, iat= 368, 396, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 25 ALA H 27 SER H 4.84 (#peak 566 #SUP 0.72 #QF 0.72)
&rst
ixpk= 566, nxpk= 0, iat= 366, 396, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 26 PHE QD 27 SER H 3.52 (#peak 570 #SUP 0.98 #QF 0.98)
&rst
ixpk= 570, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 384, 392,
&end
#
# 27 SER H 29 LYS H 4.46 (#peak 571 #SUP 0.66 #QF 0.66)
&rst
ixpk= 571, nxpk= 0, iat= 396, 419, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 26 PHE H 26 PHE HB3 3.16 (#peak 576 #SUP 0.98 #QF 0.98)
&rst
ixpk= 576, nxpk= 0, iat= 376, 381, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 26 PHE H 26 PHE HB2 3.04 (#peak 577 #SUP 0.94 #QF 0.94)
&rst
ixpk= 577, nxpk= 0, iat= 376, 380, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 26 PHE H 77 VAL QG1 4.03 (#peak 580 #SUP 0.75 #QF 0.75)
&rst
ixpk= 580, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1213,1214,1215,
&end
#
# 25 ALA QB 26 PHE H 3.07 (#peak 583 #SUP 0.97 #QF 0.97)
&rst
ixpk= 583, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 370, 371, 372,
&end
#
# 26 PHE H 28 ASP HB2 5.07 (#peak 585 #SUP 0.74 #QF 0.74)
&rst
ixpk= 585, nxpk= 0, iat= 376, 411, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 23 TYR HA 26 PHE H 4.22 (#peak 588 #SUP 0.95 #QF 0.95)
&rst
ixpk= 588, nxpk= 0, iat= 323, 376, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 22 PHE HA 26 PHE H 3.85 (#peak 589 #SUP 1.00 #QF 0.95)
&rst
ixpk= 589, nxpk= 0, iat= 303, 376, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 26 PHE H 26 PHE QD 4.25 (#peak 591 #SUP 0.97 #QF 0.97)
&rst
ixpk= 591, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 384, 392,
&end
#
# 22 PHE QD 26 PHE H 4.58 (#peak 592 #SUP 0.79 #QF 0.79)
&rst
ixpk= 592, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 309, 317,
&end
#
# 26 PHE H 73 PHE HZ 5.22 (#peak 593 #SUP 0.98 #QF 0.98)
&rst
ixpk= 593, nxpk= 0, iat= 376,1148, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 78 VAL HA 81 LEU H 3.83 (#peak 598 #SUP 0.99 #QF 0.99)
&rst
ixpk= 598, nxpk= 0, iat=1225,1259, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 81 LEU H 81 LEU HB2 3.14 (#peak 600 #SUP 0.89 #QF 0.89)
&rst
ixpk= 600, nxpk= 0, iat=1259,1263, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 81 LEU H 81 LEU HG 3.01 (#peak 603 #SUP 0.95 #QF 0.95)
&rst
ixpk= 603, nxpk= 0, iat=1259,1266, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 81 LEU H 81 LEU QD1 3.60 (#peak 606 #SUP 1.00)
&rst
ixpk= 606, nxpk= 0, iat=1259, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1268,1269,1270,
&end
#
# 81 LEU H 81 LEU QD2 3.46 (#peak 607 #SUP 1.00)
&rst
ixpk= 607, nxpk= 0, iat=1259, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1272,1273,1274,
&end
#
# 81 LEU H 82 ILE QG1 4.54 (#peak 611 #SUP 0.76 #QF 0.76)
&rst
ixpk= 611, nxpk= 0, iat=1259, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1288,1289,
&end
#
# 81 LEU H 81 LEU HB3 3.58 (#peak 612 #SUP 0.98 #QF 0.98)
&rst
ixpk= 612, nxpk= 0, iat=1259,1264, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 79 ALA HA 81 LEU H 3.99 (#peak 614 #SUP 0.92 #QF 0.92)
&rst
ixpk= 614, nxpk= 0, iat=1241,1259, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 26 PHE QD 81 LEU H 4.60 (#peak 617 #SUP 0.98 #QF 0.88)
&rst
ixpk= 617, nxpk= 0, iat= -1,1259, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 384, 392,
&end
#
# 22 PHE HZ 81 LEU H 5.50 (#peak 618 #SUP 0.79 #QF 0.79)
&rst
ixpk= 618, nxpk= 0, iat= 313,1259, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 LEU H 83 GLN HE21 4.73 (#peak 619 #SUP 0.97 #QF 0.97)
&rst
ixpk= 619, nxpk= 0, iat=1259,1310, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 81 LEU H 82 ILE H 3.34 (#peak 622 #SUP 0.99 #QF 0.99)
&rst
ixpk= 622, nxpk= 0, iat=1259,1278, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 81 LEU H 84 THR H 4.77 (#peak 624 #SUP 0.49 #QF 0.49)
&rst
ixpk= 624, nxpk= 0, iat=1259,1314, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 4 VAL H 5 GLU H 5 (#peak 627 #SUP 0.99 #QF 0.99)
&rst
ixpk= 627, nxpk= 0, iat= 45, 61, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 VAL HA 5 GLU H 3.00 (#peak 634 #SUP 0.82 #QF 0.82)
&rst
ixpk= 634, nxpk= 0, iat= 47, 61, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 GLU H 5 GLU HG2 4.05 (#peak 636 #SUP 0.98 #QF 0.98)
&rst
ixpk= 636, nxpk= 0, iat= 61, 68, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 5 GLU H 5 GLU HG3 4.05 (#peak 637 #SUP 0.74 #QF 0.74)
&rst
ixpk= 637, nxpk= 0, iat= 61, 69, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 4 VAL HB 5 GLU H 4 (#peak 638 #SUP 0.75 #QF 0.75)
&rst
ixpk= 638, nxpk= 0, iat= 49, 61, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 VAL QQG 5 GLU H 4.00 (#peak 641 #SUP 0.93 #QF 0.93)
&rst
ixpk= 641, nxpk= 0, iat= 48, 61, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 5 GLU H 6 VAL HA 5.17 (#peak 643 #SUP 1.00)
&rst
ixpk= 643, nxpk= 0, iat= 61, 78, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 38 LEU QD2 38 LEU H 5.00 (#peak 647 #SUP 0.94 #QF 0.68)
&rst
ixpk= 647, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 572, 573, 574,
&end
#
# 10 LEU QD1 38 LEU H 5.50 (#peak 648 #SUP 0.91 #QF 0.91)
&rst
ixpk= 648, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 141, 142, 143,
&end
#
# 38 LEU H 38 LEU HB3 3.66 (#peak 649 #SUP 0.98 #QF 0.98)
&rst
ixpk= 649, nxpk= 0, iat= 559, 564, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 38 LEU H 38 LEU HG 3.73 (#peak 650 #SUP 0.84 #QF 0.84)
&rst
ixpk= 650, nxpk= 0, iat= 559, 566, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 10 LEU HG 38 LEU H 3.97 (#peak 651 #SUP 0.87 #QF 0.66)
&rst
ixpk= 651, nxpk= 0, iat= 139, 559, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 37 ASN HB2 38 LEU H 4.64 (#peak 653 #SUP 0.97 #QF 0.97)
&rst
ixpk= 653, nxpk= 0, iat= 549, 559, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 38 LEU H 56 VAL HA 4.94 (#peak 655 #SUP 0.77 #QF 0.77)
&rst
ixpk= 655, nxpk= 0, iat= 559, 843, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 37 ASN HA 38 LEU H 2.60 (#peak 657 #SUP 0.74 #QF 0.74)
&rst
ixpk= 657, nxpk= 0, iat= 547, 559, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 10 LEU HA 38 LEU H 5 (#peak 658 #SUP 0.89 #QF 0.89)
&rst
ixpk= 658, nxpk= 0, iat= 134, 559, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 TRP HZ2 38 LEU H 5.38 (#peak 660 #SUP 0.82 #QF 0.82)
&rst
ixpk= 660, nxpk= 0, iat= 454, 559, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 37 ASN H 38 LEU H 4.25 (#peak 664 #SUP 0.98 #QF 0.98)
&rst
ixpk= 664, nxpk= 0, iat= 545, 559, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 38 LEU H 39 THR H 5 (#peak 665 #SUP 0.86 #QF 0.86)
&rst
ixpk= 665, nxpk= 0, iat= 559, 578, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 38 LEU H 57 ASN H 5.14 (#peak 666 #SUP 0.93 #QF 0.93)
&rst
ixpk= 666, nxpk= 0, iat= 559, 857, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 56 VAL H 61 ILE QD1 4.10 (#peak 671 #SUP 0.91 #QF 0.91)
&rst
ixpk= 671, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 929, 930, 931,
&end
#
# 55 THR QG2 56 VAL H 4.08 (#peak 672 #SUP 0.91 #QF 0.39)
&rst
ixpk= 672, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 833, 834, 835,
&end
#
# 56 VAL H 61 ILE QG2 4.27 (#peak 672 #SUP 0.91 #QF 0.39)
&rst
ixpk= 672, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 922, 923, 924,
&end
#
# 56 VAL H 56 VAL QQG 3.47 (#peak 673 #SUP 0.99 #QF 0.99)
&rst
ixpk= 673, nxpk= 0, iat= 841, 844, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 56 VAL H 61 ILE HG12 4.27 (#peak 674 #SUP 0.97 #QF 0.97)
&rst
ixpk= 674, nxpk= 0, iat= 841, 926, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 56 VAL H 56 VAL HB 3.52 (#peak 676 #SUP 0.98 #QF 0.98)
&rst
ixpk= 676, nxpk= 0, iat= 841, 845, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 56 VAL H 59 ASP HB2 4.97 (#peak 677 #SUP 0.89 #QF 0.89)
&rst
ixpk= 677, nxpk= 0, iat= 841, 892, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 55 THR HB 56 VAL H 3.33 (#peak 679 #SUP 0.96 #QF 0.96)
&rst
ixpk= 679, nxpk= 0, iat= 831, 841, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 56 VAL H 60 VAL HA 3.88 (#peak 680 #SUP 0.96 #QF 0.96)
&rst
ixpk= 680, nxpk= 0, iat= 841, 902, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 56 VAL H 59 ASP HA 5.11 (#peak 683 #SUP 0.88 #QF 0.88)
&rst
ixpk= 683, nxpk= 0, iat= 841, 890, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 55 THR HA 56 VAL H 3.09 (#peak 684 #SUP 0.81 #QF 0.81)
&rst
ixpk= 684, nxpk= 0, iat= 829, 841, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 56 VAL H 58 GLN H 5.00 (#peak 686 #SUP 0.96 #QF 0.96)
&rst
ixpk= 686, nxpk= 0, iat= 841, 871, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 VAL H 61 ILE H 4.24 (#peak 687 #SUP 0.99 #QF 0.99)
&rst
ixpk= 687, nxpk= 0, iat= 841, 916, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 46 ALA H 47 ARG H 4.06 (#peak 688 #SUP 0.94 #QF 0.94)
&rst
ixpk= 688, nxpk= 0, iat= 689, 699, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 47 ARG H 48 ALA H 3.56 (#peak 689 #SUP 0.99 #QF 0.99)
&rst
ixpk= 689, nxpk= 0, iat= 699, 723, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 45 SER HA 47 ARG H 4.34 (#peak 690 #SUP 0.69 #QF 0.69)
&rst
ixpk= 690, nxpk= 0, iat= 680, 699, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 46 ALA HA 47 ARG H 3.42 (#peak 692 #SUP 0.99 #QF 0.99)
&rst
ixpk= 692, nxpk= 0, iat= 691, 699, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 45 SER QB 47 ARG H 4.07 (#peak 693 #SUP 0.94 #QF 0.94)
&rst
ixpk= 693, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 682, 683,
&end
#
# 47 ARG H 47 ARG QD 4.37 (#peak 694 #SUP 1.00)
&rst
ixpk= 694, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 709, 710,
&end
#
# 47 ARG H 47 ARG HG2 3.76 (#peak 696 #SUP 0.98 #QF 0.98)
&rst
ixpk= 696, nxpk= 0, iat= 699, 706, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 47 ARG H 47 ARG HG3 3.76 (#peak 697 #SUP 0.96 #QF 0.96)
&rst
ixpk= 697, nxpk= 0, iat= 699, 707, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 46 ALA QB 47 ARG H 3.15 (#peak 698 #SUP 0.96 #QF 0.96)
&rst
ixpk= 698, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 693, 694, 695,
&end
#
# 88 LEU H 88 LEU QD1 4.12 (#peak 700 #SUP 0.99 #QF 0.99)
&rst
ixpk= 700, nxpk= 0, iat=1368, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1377,1378,1379,
&end
#
# 88 LEU H 93 ILE QD1 5.50 (#peak 701 #SUP 0.97 #QF 0.97)
&rst
ixpk= 701, nxpk= 0, iat=1368, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1479,1480,1481,
&end
#
# 88 LEU H 88 LEU HB2 3.44 (#peak 702 #SUP 1.00)
&rst
ixpk= 702, nxpk= 0, iat=1368,1372, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 87 ALA QB 88 LEU H 3.22 (#peak 703 #SUP 0.99 #QF 0.99)
&rst
ixpk= 703, nxpk= 0, iat= -1,1368, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1=1362,1363,1364,
&end
#
# 88 LEU H 88 LEU HG 3.19 (#peak 704 #SUP 0.99 #QF 0.99)
&rst
ixpk= 704, nxpk= 0, iat=1368,1375, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 88 LEU H 88 LEU HB3 3.72 (#peak 705 #SUP 1.00)
&rst
ixpk= 705, nxpk= 0, iat=1368,1373, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 85 GLU HA 88 LEU H 3.40 (#peak 709 #SUP 0.83 #QF 0.83)
&rst
ixpk= 709, nxpk= 0, iat=1330,1368, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 88 LEU H 89 ASN HA 4.91 (#peak 710 #SUP 0.91 #QF 0.91)
&rst
ixpk= 710, nxpk= 0, iat=1368,1389, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 88 LEU H 89 ASN H 3.14 (#peak 713 #SUP 0.99 #QF 0.99)
&rst
ixpk= 713, nxpk= 0, iat=1368,1387, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 84 THR H 85 GLU H 3.38 (#peak 714 #SUP 0.98 #QF 0.98)
&rst
ixpk= 714, nxpk= 0, iat=1314,1328, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 82 ILE H 84 THR H 4.14 (#peak 715 #SUP 0.98 #QF 0.98)
&rst
ixpk= 715, nxpk= 0, iat=1278,1314, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 62 PHE QD 84 THR H 5.29 (#peak 721 #SUP 1.00)
&rst
ixpk= 721, nxpk= 0, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 943, 951,
&end
#
# 30 TRP HH2 84 THR H 5.44 (#peak 722 #SUP 0.99 #QF 0.99)
&rst
ixpk= 722, nxpk= 0, iat= 456,1314, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 84 THR H 84 THR HB 3.58 (#peak 726 #SUP 0.97 #QF 0.97)
&rst
ixpk= 726, nxpk= 0, iat=1314,1318, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 83 GLN HG2 84 THR H 5.19 (#peak 730 #SUP 1.00)
&rst
ixpk= 730, nxpk= 0, iat=1304,1314, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 83 GLN HG3 84 THR H 4.74 (#peak 731 #SUP 0.96 #QF 0.96)
&rst
ixpk= 731, nxpk= 0, iat=1305,1314, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 83 GLN HB3 84 THR H 4.05 (#peak 732 #SUP 0.99 #QF 0.99)
&rst
ixpk= 732, nxpk= 0, iat=1302,1314, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 83 GLN HB2 84 THR H 3.70 (#peak 733 #SUP 0.94 #QF 0.94)
&rst
ixpk= 733, nxpk= 0, iat=1301,1314, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 80 ALA QB 84 THR H 4.73 (#peak 737 #SUP 0.98 #QF 0.98)
&rst
ixpk= 737, nxpk= 0, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1253,1254,1255,
&end
#
# 84 THR H 84 THR QG2 3.87 (#peak 738 #SUP 0.99 #QF 0.99)
&rst
ixpk= 738, nxpk= 0, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1320,1321,1322,
&end
#
# 100 THR QG2 101 GLY H 4.35 (#peak 741 #SUP 0.98 #QF 0.98)
&rst
ixpk= 741, nxpk= 0, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1581,1582,1583,
&end
#
# 101 GLY H 102 ASP H 3.60 (#peak 747 #SUP 0.53 #QF 0.53)
&rst
ixpk= 747, nxpk= 0, iat=1589,1596, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 53 THR H 54 ILE H 4.20 (#peak 749 #SUP 0.99 #QF 0.99)
&rst
ixpk= 749, nxpk= 0, iat= 794, 808, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 41 ASN H 53 THR H 3.84 (#peak 750 #SUP 0.98 #QF 0.98)
&rst
ixpk= 750, nxpk= 0, iat= 611, 794, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 52 ILE H 53 THR H 4.61 (#peak 751 #SUP 0.98 #QF 0.98)
&rst
ixpk= 751, nxpk= 0, iat= 775, 794, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 42 GLU HA 53 THR H 4.03 (#peak 753 #SUP 0.85 #QF 0.85)
&rst
ixpk= 753, nxpk= 0, iat= 627, 794, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 53 THR H 54 ILE HA 4.79 (#peak 754 #SUP 0.89 #QF 0.89)
&rst
ixpk= 754, nxpk= 0, iat= 794, 810, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 52 ILE HA 53 THR H 2.86 (#peak 755 #SUP 0.78 #QF 0.78)
&rst
ixpk= 755, nxpk= 0, iat= 777, 794, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 40 ILE HA 53 THR H 4.66 (#peak 757 #SUP 0.91 #QF 0.91)
&rst
ixpk= 757, nxpk= 0, iat= 594, 794, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 53 THR H 53 THR HB 3.87 (#peak 758 #SUP 0.95 #QF 0.95)
&rst
ixpk= 758, nxpk= 0, iat= 794, 798, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 41 ASN HB2 53 THR H 4.32 (#peak 759 #SUP 0.67 #QF 0.67)
&rst
ixpk= 759, nxpk= 0, iat= 615, 794, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 42 GLU HB3 53 THR H 5.17 (#peak 761 #SUP 0.85 #QF 0.85)
&rst
ixpk= 761, nxpk= 0, iat= 630, 794, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 40 ILE QG2 53 THR H 4.40 (#peak 766 #SUP 0.97 #QF 0.97)
&rst
ixpk= 766, nxpk= 0, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 598, 599, 600,
&end
#
# 53 THR H 53 THR QG2 4.08 (#peak 767 #SUP 0.88 #QF 0.88)
&rst
ixpk= 767, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 800, 801, 802,
&end
#
# 52 ILE HB 53 THR H 4.17 (#peak 768 #SUP 0.97 #QF 0.97)
&rst
ixpk= 768, nxpk= 0, iat= 779, 794, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 52 ILE QG2 53 THR H 3.39 (#peak 770 #SUP 0.96 #QF 0.96)
&rst
ixpk= 770, nxpk= 0, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 781, 782, 783,
&end
#
# 10 LEU H 10 LEU QD2 4.32 (#peak 772 #SUP 0.97 #QF 0.97)
&rst
ixpk= 772, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 145, 146, 147,
&end
#
# 10 LEU H 10 LEU QD1 3.69 (#peak 773 #SUP 0.96 #QF 0.96)
&rst
ixpk= 773, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 141, 142, 143,
&end
#
# 10 LEU H 10 LEU HG 3.28 (#peak 774 #SUP 0.99 #QF 0.99)
&rst
ixpk= 774, nxpk= 0, iat= 132, 139, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 10 LEU H 10 LEU HB3 3.59 (#peak 775 #SUP 0.97 #QF 0.97)
&rst
ixpk= 775, nxpk= 0, iat= 132, 137, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 10 LEU H 10 LEU HB2 3.22 (#peak 776 #SUP 0.95 #QF 0.95)
&rst
ixpk= 776, nxpk= 0, iat= 132, 136, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 9 LEU HA 10 LEU H 3.01 (#peak 777 #SUP 0.88 #QF 0.88)
&rst
ixpk= 777, nxpk= 0, iat= 115, 132, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 58 GLN H 59 ASP H 3.09 (#peak 781 #SUP 0.99 #QF 0.99)
&rst
ixpk= 781, nxpk= 0, iat= 871, 888, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 56 VAL H 59 ASP H 3.61 (#peak 782 #SUP 0.88 #QF 0.88)
&rst
ixpk= 782, nxpk= 0, iat= 841, 888, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 55 THR HA 59 ASP H 4.77 (#peak 783 #SUP 0.97 #QF 0.97)
&rst
ixpk= 783, nxpk= 0, iat= 829, 888, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 58 GLN HA 59 ASP H 3.21 (#peak 785 #SUP 0.96 #QF 0.96)
&rst
ixpk= 785, nxpk= 0, iat= 873, 888, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 55 THR HB 59 ASP H 3.80 (#peak 786 #SUP 0.96 #QF 0.96)
&rst
ixpk= 786, nxpk= 0, iat= 831, 888, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 58 GLN HG2 59 ASP H 4.53 (#peak 789 #SUP 0.88 #QF 0.78)
&rst
ixpk= 789, nxpk= 0, iat= 878, 888, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 58 GLN HG3 59 ASP H 4.53 (#peak 789 #SUP 0.88 #QF 0.78)
&rst
ixpk= 789, nxpk= 0, iat= 879, 888, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 58 GLN HB3 59 ASP H 4.54 (#peak 790 #SUP 0.99 #QF 0.99)
&rst
ixpk= 790, nxpk= 0, iat= 876, 888, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 56 VAL QQG 59 ASP H 4.38 (#peak 795 #SUP 0.98 #QF 0.98)
&rst
ixpk= 795, nxpk= 0, iat= 844, 888, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, &end
#
# 57 ASN HB2 59 ASP H 3.87 (#peak 796 #SUP 0.98 #QF 0.98)
&rst
ixpk= 796, nxpk= 0, iat= 861, 888, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 10 LEU H 11 THR HA 5.50 (#peak 797 #SUP 0.70 #QF 0.70)
&rst
ixpk= 797, nxpk= 0, iat= 132, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 GLY HA2 10 LEU H 5 (#peak 798 #SUP 0.93 #QF 0.93)
&rst
ixpk= 798, nxpk= 0, iat= 108, 132, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 59 ASP H 60 VAL HA 5 (#peak 799 #SUP 0.81 #QF 0.81)
&rst
ixpk= 799, nxpk= 0, iat= 888, 902, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 PRO HB2 37 ASN H 4.91 (#peak 806 #SUP 0.53 #QF 0.53)
&rst
ixpk= 806, nxpk= 0, iat= 99, 545, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 37 ASN H 37 ASN HB2 3.71 (#peak 808 #SUP 0.93 #QF 0.93)
&rst
ixpk= 808, nxpk= 0, iat= 545, 549, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 36 GLY HA2 37 ASN H 2.94 (#peak 811 #SUP 0.79 #QF 0.79)
&rst
ixpk= 811, nxpk= 0, iat= 540, 545, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 35 THR HA 37 ASN H 5 (#peak 815 #SUP 0.80 #QF 0.80)
&rst
ixpk= 815, nxpk= 0, iat= 526, 545, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 36 GLY H 37 ASN H 4.01 (#peak 818 #SUP 0.95 #QF 0.95)
&rst
ixpk= 818, nxpk= 0, iat= 538, 545, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 34 TYR QE 37 ASN H 4.02 (#peak 820 #SUP 0.91 #QF 0.91)
&rst
ixpk= 820, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 513, 518,
&end
#
# 37 ASN H 37 ASN HD21 4.51 (#peak 821 #SUP 0.99 #QF 0.99)
&rst
ixpk= 821, nxpk= 0, iat= 545, 555, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 8 GLY H 8 GLY HA2 2.95 (#peak 833 #SUP 1.00)
&rst
ixpk= 833, nxpk= 0, iat= 106, 108, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 7 PRO HB3 8 GLY H 3.47 (#peak 837 #SUP 0.97 #QF 0.97)
&rst
ixpk= 837, nxpk= 0, iat= 100, 106, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 7 PRO HG2 8 GLY H 4.13 (#peak 839 #SUP 0.98 #QF 0.98)
&rst
ixpk= 839, nxpk= 0, iat= 96, 106, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 7 PRO HB2 8 GLY H 3.74 (#peak 840 #SUP 1.00 #QF 0.99)
&rst
ixpk= 840, nxpk= 0, iat= 99, 106, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 89 ASN H 89 ASN HD21 4.60 (#peak 845 #SUP 0.92 #QF 0.92)
&rst
ixpk= 845, nxpk= 0, iat=1387,1397, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 106 ASP H 107 GLU H 3.59 (#peak 849 #SUP 1.00)
&rst
ixpk= 849, nxpk= 0, iat=1654,1666, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 105 HIS HB2 106 ASP H 4.33 (#peak 856 #SUP 0.88 #QF 0.88)
&rst
ixpk= 856, nxpk= 0, iat=1641,1654, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 104 ALA QB 106 ASP H 5.50 (#peak 859 #SUP 0.90 #QF 0.90)
&rst
ixpk= 859, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1631,1632,1633,
&end
#
# 18 ILE QG2 69 LEU H 5.11 (#peak 860 #SUP 0.97 #QF 0.95)
&rst
ixpk= 860, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 252, 253, 254,
&end
#
# 67 PHE H 67 PHE HB2 3.46 (#peak 862 #SUP 0.95 #QF 0.95)
&rst
ixpk= 862, nxpk= 0, iat=1025,1029, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 67 PHE H 67 PHE QE 5.20 (#peak 867 #SUP 0.79 #QF 0.79)
&rst
ixpk= 867, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1035,1039,
&end
#
# 105 HIS H 105 HIS HB3 3.75 (#peak 868 #SUP 0.87 #QF 0.87)
&rst
ixpk= 868, nxpk= 0, iat=1637,1642, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 98 LEU HG 99 SER H 4.94 (#peak 879 #SUP 0.93 #QF 0.84)
&rst
ixpk= 879, nxpk= 0, iat=1552,1564, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 104 ALA HA 105 HIS H 2.92 (#peak 894 #SUP 0.78 #QF 0.78)
&rst
ixpk= 894, nxpk= 0, iat=1629,1637, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 105 HIS H 105 HIS HB2 3.75 (#peak 895 #SUP 0.94 #QF 0.94)
&rst
ixpk= 895, nxpk= 0, iat=1637,1641, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 104 ALA QB 105 HIS H 3.79 (#peak 896 #SUP 0.97 #QF 0.97)
&rst
ixpk= 896, nxpk= 0, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1631,1632,1633,
&end
#
# 86 GLU HB2 87 ALA H 3.36 (#peak 909 #SUP 0.85 #QF 0.85)
&rst
ixpk= 909, nxpk= 0, iat=1347,1358, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 4 VAL H 4 VAL HB 3.38 (#peak 911 #SUP 0.82 #QF 0.82)
&rst
ixpk= 911, nxpk= 0, iat= 45, 49, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 4 VAL H 4 VAL QQG 4.00 (#peak 916 #SUP 0.85 #QF 0.85)
&rst
ixpk= 916, nxpk= 0, iat= 45, 48, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 61 ILE QD1 87 ALA H 4.58 (#peak 918 #SUP 0.98 #QF 0.98)
&rst
ixpk= 918, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 929, 930, 931,
&end
#
# 86 GLU HG2 87 ALA H 4.94 (#peak 920 #SUP 0.99 #QF 0.99)
&rst
ixpk= 920, nxpk= 0, iat=1350,1358, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 73 PHE H 73 PHE HB2 3.50 (#peak 924 #SUP 0.96 #QF 0.96)
&rst
ixpk= 924, nxpk= 0, iat=1136,1140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 PHE H 73 PHE HB3 3.46 (#peak 925 #SUP 0.97 #QF 0.97)
&rst
ixpk= 925, nxpk= 0, iat=1136,1141, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 73 PHE H 76 THR HB 5.36 (#peak 928 #SUP 0.87 #QF 0.87)
&rst
ixpk= 928, nxpk= 0, iat=1136,1197, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 73 PHE H 73 PHE QD 4.31 (#peak 936 #SUP 0.97 #QF 0.97)
&rst
ixpk= 936, nxpk= 0, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1144,1152,
&end
#
# 67 PHE HA 70 LYS H 4.73 (#peak 939 #SUP 0.95 #QF 0.92)
&rst
ixpk= 939, nxpk= 0, iat=1027,1078, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 104 ALA H 105 HIS HA 5.30 (#peak 939 #SUP 0.95 #QF 0.92)
&rst
ixpk= 939, nxpk= 0, iat=1627,1639, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 103 LEU HA 104 ALA H 2.65 (#peak 941 #SUP 0.53 #QF 0.53)
&rst
ixpk= 941, nxpk= 0, iat=1610,1627, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 69 LEU H 70 LYS H 3.79 (#peak 945 #SUP 0.87 #QF 0.72)
&rst
ixpk= 945, nxpk= 0, iat=1059,1078, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 103 LEU HB3 104 ALA H 4.19 (#peak 948 #SUP 0.89 #QF 0.89)
&rst
ixpk= 948, nxpk= 0, iat=1613,1627, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 104 ALA H 104 ALA QB 3.04 (#peak 949 #SUP 1.00)
&rst
ixpk= 949, nxpk= 0, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1631,1632,1633,
&end
#
# 103 LEU QD2 104 ALA H 4.24 (#peak 950 #SUP 0.98 #QF 0.98)
&rst
ixpk= 950, nxpk= 0, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1621,1622,1623,
&end
#
# 93 ILE QG2 96 ALA H 4.11 (#peak 952 #SUP 0.89 #QF 0.82)
&rst
ixpk= 952, nxpk= 0, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1472,1473,1474,
&end
#
# 96 ALA H 96 ALA QB 2.60 (#peak 955 #SUP 0.95 #QF 0.95)
&rst
ixpk= 955, nxpk= 0, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2=1520,1521,1522,
&end
#
# 96 ALA H 97 LEU HG 4.70 (#peak 957 #SUP 0.88 #QF 0.88)
&rst
ixpk= 957, nxpk= 0, iat=1516,1533, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 95 GLN HB2 96 ALA H 3.37 (#peak 958 #SUP 0.99 #QF 0.99)
&rst
ixpk= 958, nxpk= 0, iat=1503,1516, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 95 GLN HB3 96 ALA H 3.98 (#peak 959 #SUP 0.90 #QF 0.90)
&rst
ixpk= 959, nxpk= 0, iat=1504,1516, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 93 ILE HA 96 ALA H 4.20 (#peak 961 #SUP 0.96 #QF 0.96)
&rst
ixpk= 961, nxpk= 0, iat=1468,1516, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 95 GLN HA 96 ALA H 3.56 (#peak 962 #SUP 0.99 #QF 0.99)
&rst
ixpk= 962, nxpk= 0, iat=1501,1516, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 94 ASN HA 96 ALA H 4.62 (#peak 964 #SUP 0.98 #QF 0.98)
&rst
ixpk= 964, nxpk= 0, iat=1487,1516, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 95 GLN H 96 ALA H 2.92 (#peak 966 #SUP 0.99 #QF 0.99)
&rst
ixpk= 966, nxpk= 0, iat=1499,1516, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 96 ALA H 97 LEU H 2.96 (#peak 967 #SUP 0.95 #QF 0.95)
&rst
ixpk= 967, nxpk= 0, iat=1516,1526, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 103 LEU H 103 LEU QD2 4.29 (#peak 969 #SUP 0.96 #QF 0.96)
&rst
ixpk= 969, nxpk= 0, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1621,1622,1623,
&end
#
# 103 LEU H 103 LEU QD1 4.29 (#peak 970 #SUP 0.98 #QF 0.98)
&rst
ixpk= 970, nxpk= 0, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1617,1618,1619,
&end
#
# 102 ASP HB3 103 LEU H 3.73 (#peak 973 #SUP 0.99 #QF 0.99)
&rst
ixpk= 973, nxpk= 0, iat=1601,1608, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 102 ASP HA 103 LEU H 2.78 (#peak 978 #SUP 0.76 #QF 0.76)
&rst
ixpk= 978, nxpk= 0, iat=1598,1608, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 84 THR HA 87 ALA H 4.10 (#peak 988 #SUP 0.90 #QF 0.90)
&rst
ixpk= 988, nxpk= 0, iat=1316,1358, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 85 GLU H 87 ALA H 4.63 (#peak 994 #SUP 0.91 #QF 0.91)
&rst
ixpk= 994, nxpk= 0, iat=1328,1358, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 8 GLY HA2 9 LEU H 3 (#peak 996 #SUP 0.87 #QF 0.87)
&rst
ixpk= 996, nxpk= 0, iat= 108, 113, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 9 LEU H 37 ASN HA 4.02 (#peak 998 #SUP 0.84 #QF 0.84)
&rst
ixpk= 998, nxpk= 0, iat= 113, 547, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 8 GLY H 9 LEU H 4.50 (#peak 1000 #SUP 0.93 #QF 0.34)
&rst
ixpk= 1000, nxpk= 0, iat= 106, 113, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 LEU H 38 LEU H 4.16 (#peak 1001 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1001, nxpk= 0, iat= 113, 559, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 9 LEU H 9 LEU QB 3.27 (#peak 1003 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1003, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 117, 118,
&end
#
# 9 LEU H 9 LEU QD1 4.28 (#peak 1006 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1006, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 122, 123, 124,
&end
#
# 80 ALA H 81 LEU QD2 4.90 (#peak 1007 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1007, nxpk= 0, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1272,1273,1274,
&end
#
# 107 GLU HB3 108 PHE H 3.79 (#peak 1010 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1010, nxpk= 0, iat=1671,1681, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 107 GLU HB2 108 PHE H 3.79 (#peak 1011 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1011, nxpk= 0, iat=1670,1681, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 80 ALA H 83 GLN HB2 4.86 (#peak 1013 #SUP 0.84 #QF 0.70)
&rst
ixpk= 1013, nxpk= 0, iat=1249,1301, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 107 GLU HG2 108 PHE H 5.38 (#peak 1013 #SUP 0.84 #QF 0.70)
&rst
ixpk= 1013, nxpk= 0, iat=1673,1681, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 77 VAL HA 80 ALA H 3.83 (#peak 1016 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1016, nxpk= 0, iat=1209,1249, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 78 VAL HA 80 ALA H 4.46 (#peak 1017 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1017, nxpk= 0, iat=1225,1249, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 80 ALA H 83 GLN HE21 3.56 (#peak 1024 #SUP 0.66 #QF 0.53)
&rst
ixpk= 1024, nxpk= 0, iat=1249,1310, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 108 PHE H 108 PHE QD 4.03 (#peak 1024 #SUP 0.66 #QF 0.53)
&rst
ixpk= 1024, nxpk= 0, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1689,1697,
&end
#
# 79 ALA H 80 ALA H 3.05 (#peak 1025 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1025, nxpk= 0, iat=1239,1249, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 107 GLU H 108 PHE H 3.16 (#peak 1027 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1027, nxpk= 0, iat=1666,1681, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 83 GLN HA 86 GLU H 3.69 (#peak 1033 #SUP 0.99 #QF 0.92)
&rst
ixpk= 1033, nxpk= 0, iat=1299,1343, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 82 ILE HA 86 GLU H 5.09 (#peak 1034 #SUP 1.00 #QF 0.93)
&rst
ixpk= 1034, nxpk= 0, iat=1280,1343, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 86 GLU H 86 GLU HB2 2.76 (#peak 1036 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1036, nxpk= 0, iat=1343,1347, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 86 GLU H 86 GLU HG3 3.41 (#peak 1037 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1037, nxpk= 0, iat=1343,1351, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 86 GLU H 87 ALA QB 4.54 (#peak 1041 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1041, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1362,1363,1364,
&end
#
# 82 ILE QG2 86 GLU H 4.51 (#peak 1042 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1042, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1284,1285,1286,
&end
#
# 84 THR H 86 GLU H 4.08 (#peak 1049 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1049, nxpk= 0, iat=1314,1343, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 86 GLU H 89 ASN HB2 4.8 (#peak 1051 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1051, nxpk= 0, iat=1343,1391, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 99 SER HA 100 THR H 3.53 (#peak 1056 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1056, nxpk= 0, iat=1566,1575, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 100 THR H 100 THR HB 3.69 (#peak 1057 #SUP 0.93 #QF 0.91)
&rst
ixpk= 1057, nxpk= 0, iat=1575,1579, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 100 THR H 100 THR QG2 3.99 (#peak 1062 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1062, nxpk= 0, iat=1575, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1581,1582,1583,
&end
#
# 98 LEU HG 100 THR H 5.31 (#peak 1065 #SUP 0.95 #QF 0.93)
&rst
ixpk= 1065, nxpk= 0, iat=1552,1575, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 100 THR H 101 GLY H 3.24 (#peak 1072 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1072, nxpk= 0, iat=1575,1589, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 99 SER H 100 THR H 3.13 (#peak 1073 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1073, nxpk= 0, iat=1564,1575, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 64 THR H 65 PHE H 4.49 (#peak 1074 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1074, nxpk= 0, iat= 972, 986, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 65 PHE H 66 LEU H 4.66 (#peak 1075 #SUP 1.00)
&rst
ixpk= 1075, nxpk= 0, iat= 986,1006, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 65 PHE H 65 PHE QD 4.36 (#peak 1078 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1078, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 994,1002,
&end
#
# 51 TRP HA 65 PHE H 5.47 (#peak 1079 #SUP 0.57 #QF 0.57)
&rst
ixpk= 1079, nxpk= 0, iat= 753, 986, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 64 THR HA 65 PHE H 3.13 (#peak 1081 #SUP 1.00 #QF 0.88)
&rst
ixpk= 1081, nxpk= 0, iat= 974, 986, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 64 THR HB 65 PHE H 3.95 (#peak 1082 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1082, nxpk= 0, iat= 976, 986, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 65 PHE H 65 PHE HB2 3.53 (#peak 1084 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1084, nxpk= 0, iat= 986, 990, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 65 PHE H 65 PHE HB3 3.53 (#peak 1085 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1085, nxpk= 0, iat= 986, 991, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 64 THR QG2 65 PHE H 3.87 (#peak 1086 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1086, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 978, 979, 980,
&end
#
# 25 ALA H 25 ALA QB 2.71 (#peak 1090 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1090, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
igr2= 370, 371, 372,
&end
#
# 24 ARG HG2 25 ALA H 4.8 (#peak 1093 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1093, nxpk= 0, iat= 349, 366, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 24 ARG QB 25 ALA H 3.21 (#peak 1095 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1095, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 346, 347,
&end
#
# 25 ALA H 26 PHE HB3 4.98 (#peak 1096 #SUP 0.65 #QF 0.65)
&rst
ixpk= 1096, nxpk= 0, iat= 366, 381, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 25 ALA H 26 PHE HA 5.50 (#peak 1098 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1098, nxpk= 0, iat= 366, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 TYR HB3 25 ALA H 5.50 (#peak 1099 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1099, nxpk= 0, iat= 326, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ASP HA 25 ALA H 4.36 (#peak 1103 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1103, nxpk= 0, iat= 291, 366, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 23 TYR QD 25 ALA H 5.50 (#peak 1104 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1104, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 329, 338,
&end
#
# 25 ALA H 73 PHE HZ 4.24 (#peak 1105 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1105, nxpk= 0, iat= 366,1148, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 25 ALA H 73 PHE QE 5.29 (#peak 1106 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1106, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1146,1150,
&end
#
# 25 ALA H 26 PHE H 3.22 (#peak 1109 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1109, nxpk= 0, iat= 366, 376, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 24 ARG H 25 ALA H 3.44 (#peak 1110 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1110, nxpk= 0, iat= 342, 366, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 73 PHE H 75 LYS H 4.57 (#peak 1112 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1112, nxpk= 0, iat=1136,1171, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 73 PHE QD 75 LYS H 5.37 (#peak 1114 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1114, nxpk= 0, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1144,1152,
&end
#
# 72 ASP HA 75 LYS H 4.00 (#peak 1116 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1116, nxpk= 0, iat=1126,1171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 75 LYS H 76 THR HB 5.18 (#peak 1117 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1117, nxpk= 0, iat=1171,1197, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 75 LYS H 76 THR HA 5.29 (#peak 1118 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1118, nxpk= 0, iat=1171,1195, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 75 LYS H 75 LYS QE 4.24 (#peak 1122 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1122, nxpk= 0, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1184,1185,
&end
#
# 74 GLU QG 75 LYS H 4.62 (#peak 1123 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1123, nxpk= 0, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1163,1164,
&end
#
# 74 GLU HB3 75 LYS H 3.48 (#peak 1125 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1125, nxpk= 0, iat=1161,1171, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 75 LYS H 75 LYS HB3 3.61 (#peak 1126 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1126, nxpk= 0, iat=1171,1176, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 75 LYS H 75 LYS HB2 3.15 (#peak 1127 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1127, nxpk= 0, iat=1171,1175, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 75 LYS H 75 LYS QD 4.08 (#peak 1128 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1128, nxpk= 0, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1181,1182,
&end
#
# 75 LYS H 75 LYS HG3 3.54 (#peak 1129 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1129, nxpk= 0, iat=1171,1179, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 75 LYS H 75 LYS HG2 4.04 (#peak 1130 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1130, nxpk= 0, iat=1171,1178, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 34 TYR HB2 35 THR H 4.00 (#peak 1131 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1131, nxpk= 0, iat= 507, 524, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 34 TYR HB3 35 THR H 4.00 (#peak 1132 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1132, nxpk= 0, iat= 508, 524, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 35 THR H 35 THR QG2 3.82 (#peak 1133 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1133, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 530, 531, 532,
&end
#
# 35 THR H 36 GLY HA3 5.43 (#peak 1138 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1138, nxpk= 0, iat= 524, 541, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 34 TYR HA 35 THR H 2.94 (#peak 1141 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1141, nxpk= 0, iat= 505, 524, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 35 THR H 36 GLY H 3.45 (#peak 1144 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1144, nxpk= 0, iat= 524, 538, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 34 TYR QE 35 THR H 4.25 (#peak 1145 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1145, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 513, 518,
&end
#
# 34 TYR QD 35 THR H 3.44 (#peak 1146 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1146, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 511, 520,
&end
#
# 34 TYR H 35 THR H 4.52 (#peak 1147 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1147, nxpk= 0, iat= 503, 524, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 35 THR H 37 ASN H 4.61 (#peak 1148 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1148, nxpk= 0, iat= 524, 545, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 27 SER HB3 28 ASP H 4.20 (#peak 1150 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1150, nxpk= 0, iat= 401, 407, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 28 ASP H 28 ASP HB2 2.78 (#peak 1152 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1152, nxpk= 0, iat= 407, 411, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 28 ASP H 29 LYS HA 5.45 (#peak 1157 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1157, nxpk= 0, iat= 407, 421, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 76 THR H 76 THR HB 3.40 (#peak 1158 #SUP 0.99 #QF 0.98)
&rst
ixpk= 1158, nxpk= 0, iat=1193,1197, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 28 ASP H 29 LYS H 3.08 (#peak 1159 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1159, nxpk= 0, iat= 407, 419, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 28 ASP H 30 TRP H 4.11 (#peak 1160 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1160, nxpk= 0, iat= 407, 441, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 27 SER H 28 ASP H 3.19 (#peak 1161 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1161, nxpk= 0, iat= 396, 407, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 72 ASP HA 76 THR H 4.60 (#peak 1162 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1162, nxpk= 0, iat=1126,1193, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 90 ARG H 90 ARG QD 4.55 (#peak 1165 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1165, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1411,1412,
&end
#
# 89 ASN HB3 90 ARG H 3.49 (#peak 1166 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1166, nxpk= 0, iat=1392,1401, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 90 ARG H 91 ARG QB 4.32 (#peak 1169 #SUP 0.57 #QF 0.57)
&rst
ixpk= 1169, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1429,1430,
&end
#
# 90 ARG H 90 ARG QB 2.82 (#peak 1170 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1170, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr2=1405,1406,
&end
#
# 75 LYS HB2 76 THR H 3.13 (#peak 1171 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1171, nxpk= 0, iat=1175,1193, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 75 LYS QD 76 THR H 4.34 (#peak 1172 #SUP 0.92 #QF 0.40)
&rst
ixpk= 1172, nxpk= 0, iat= -1,1193, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1181,1182,
&end
#
# 76 THR H 76 THR QG2 3.84 (#peak 1173 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1173, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1199,1200,1201,
&end
#
# 28 ASP H 29 LYS QG 4.47 (#peak 1179 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1179, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 426, 427,
&end
#
# 92 GLN HG3 93 ILE H 3.95 (#peak 1182 #SUP 0.98 #QF 0.91)
&rst
ixpk= 1182, nxpk= 0, iat=1457,1466, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 92 GLN QB 93 ILE H 3.43 (#peak 1183 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1183, nxpk= 0, iat= -1,1466, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1=1453,1454,
&end
#
# 91 ARG QB 93 ILE H 4.16 (#peak 1184 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1184, nxpk= 0, iat= -1,1466, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1429,1430,
&end
#
# 93 ILE H 93 ILE HB 2.94 (#peak 1185 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1185, nxpk= 0, iat=1466,1470, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 93 ILE H 93 ILE HG13 3.06 (#peak 1188 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1188, nxpk= 0, iat=1466,1477, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 93 ILE H 93 ILE HG12 3.30 (#peak 1190 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1190, nxpk= 0, iat=1466,1476, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 93 ILE H 93 ILE QG2 3.92 (#peak 1191 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1191, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1472,1473,1474,
&end
#
# 89 ASN HA 93 ILE H 5.50 (#peak 1196 #SUP 0.70 #QF 0.70)
&rst
ixpk= 1196, nxpk= 0, iat=1389,1466, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 ILE H 94 ASN HA 5.40 (#peak 1197 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1197, nxpk= 0, iat=1466,1487, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 91 ARG H 93 ILE H 5.00 (#peak 1198 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1198, nxpk= 0, iat=1425,1466, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 ILE H 96 ALA H 5.45 (#peak 1200 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1200, nxpk= 0, iat=1466,1516, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 92 GLN HA 93 ILE H 3.53 (#peak 1205 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1205, nxpk= 0, iat=1451,1466, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 48 ALA H 48 ALA QB 2.90 (#peak 1206 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1206, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 727, 728, 729,
&end
#
# 47 ARG HG3 48 ALA H 3.95 (#peak 1207 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1207, nxpk= 0, iat= 707, 723, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 47 ARG HG2 48 ALA H 3.95 (#peak 1208 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1208, nxpk= 0, iat= 706, 723, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 47 ARG QB 48 ALA H 4 (#peak 1209 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1209, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 703, 704,
&end
#
# 48 ALA H 48 ALA HA 2.93 (#peak 1211 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1211, nxpk= 0, iat= 723, 725, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 48 ALA H 49 GLY H 3.24 (#peak 1218 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1218, nxpk= 0, iat= 723, 733, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 46 ALA HA 48 ALA H 4.49 (#peak 1219 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1219, nxpk= 0, iat= 691, 723, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 48 ALA H 49 GLY HA2 4.40 (#peak 1220 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1220, nxpk= 0, iat= 723, 735, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 97 LEU HA 98 LEU H 3.5 (#peak 1223 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1223, nxpk= 0, iat=1528,1545, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 LEU H 99 SER HA 5.15 (#peak 1225 #SUP 0.57 #QF 0.57)
&rst
ixpk= 1225, nxpk= 0, iat=1545,1566, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 98 LEU H 96 ALA H 4.13 (#peak 1237 #SUP 0.62 #QF 0.62)
&rst
ixpk= 1237, nxpk= 0, iat=1545,1516, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 98 LEU H 99 SER H 3.30 (#peak 1238 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1238, nxpk= 0, iat=1545,1564, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 77 VAL H 77 VAL QG1 3.82 (#peak 1240 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1240, nxpk= 0, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1213,1214,1215,
&end
#
# 77 VAL H 79 ALA QB 4.83 (#peak 1247 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1247, nxpk= 0, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1243,1244,1245,
&end
#
# 77 VAL H 77 VAL HB 2.94 (#peak 1248 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1248, nxpk= 0, iat=1207,1211, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 77 VAL H 78 VAL HB 5.14 (#peak 1249 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1249, nxpk= 0, iat=1207,1227, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 77 VAL H 78 VAL HA 5.46 (#peak 1251 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1251, nxpk= 0, iat=1207,1225, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 74 GLU HA 77 VAL H 3.77 (#peak 1252 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1252, nxpk= 0, iat=1158,1207, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 75 LYS HA 77 VAL H 4.94 (#peak 1253 #SUP 1.00)
&rst
ixpk= 1253, nxpk= 0, iat=1173,1207, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 76 THR HB 77 VAL H 3.40 (#peak 1255 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1255, nxpk= 0, iat=1197,1207, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 22 PHE QE 77 VAL H 4.29 (#peak 1256 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1256, nxpk= 0, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 311, 315,
&end
#
# 73 PHE QD 77 VAL H 5.07 (#peak 1257 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1257, nxpk= 0, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1144,1152,
&end
#
# 77 VAL H 79 ALA H 4.11 (#peak 1259 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1259, nxpk= 0, iat=1207,1239, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 75 LYS H 77 VAL H 4.29 (#peak 1260 #SUP 0.64 #QF 0.64)
&rst
ixpk= 1260, nxpk= 0, iat=1171,1207, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 82 ILE H 82 ILE QG2 3.87 (#peak 1261 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1261, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1284,1285,1286,
&end
#
# 82 ILE H 82 ILE QG1 3.45 (#peak 1264 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1264, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1288,1289,
&end
#
# 81 LEU HB3 82 ILE H 3.92 (#peak 1265 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1265, nxpk= 0, iat=1264,1278, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 81 LEU HG 82 ILE H 3.94 (#peak 1266 #SUP 0.67 #QF 0.67)
&rst
ixpk= 1266, nxpk= 0, iat=1266,1278, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 81 LEU QD2 82 ILE H 4.65 (#peak 1273 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1273, nxpk= 0, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1272,1273,1274,
&end
#
# 79 ALA HA 82 ILE H 3.87 (#peak 1275 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1275, nxpk= 0, iat=1241,1278, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 80 ALA H 82 ILE H 4.80 (#peak 1279 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1279, nxpk= 0, iat=1249,1278, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 97 LEU H 97 LEU QD2 4.22 (#peak 1286 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1286, nxpk= 0, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1539,1540,1541,
&end
#
# 97 LEU H 97 LEU QD1 3.87 (#peak 1287 #SUP 0.99 #QF 0.95)
&rst
ixpk= 1287, nxpk= 0, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1535,1536,1537,
&end
#
# 96 ALA QB 97 LEU H 3.02 (#peak 1289 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1289, nxpk= 0, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1=1520,1521,1522,
&end
#
# 95 GLN HB2 97 LEU H 5.36 (#peak 1292 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1292, nxpk= 0, iat=1503,1526, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 94 ASN HA 97 LEU H 3.81 (#peak 1298 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1298, nxpk= 0, iat=1487,1526, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 94 ASN H 97 LEU H 4.79 (#peak 1300 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1300, nxpk= 0, iat=1485,1526, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 92 GLN H 92 GLN QB 3.20 (#peak 1313 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1313, nxpk= 0, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1453,1454,
&end
#
# 91 ARG QB 92 GLN H 3.13 (#peak 1314 #SUP 0.82 #QF 0.59)
&rst
ixpk= 1314, nxpk= 0, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1=1429,1430,
&end
#
# 91 ARG HD3 92 GLN H 4.51 (#peak 1318 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1318, nxpk= 0, iat=1436,1449, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 88 LEU HA 90 ARG H 4.34 (#peak 1321 #SUP 0.72 #QF 0.51)
&rst
ixpk= 1321, nxpk= 0, iat=1370,1401, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 88 LEU HA 92 GLN H 4.72 (#peak 1321 #SUP 0.72 #QF 0.51)
&rst
ixpk= 1321, nxpk= 0, iat=1370,1449, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 48 ALA QB 49 GLY H 3.06 (#peak 1327 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1327, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 727, 728, 729,
&end
#
# 47 ARG HG3 49 GLY H 4.61 (#peak 1328 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1328, nxpk= 0, iat= 707, 733, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 47 ARG HG2 49 GLY H 4.61 (#peak 1330 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1330, nxpk= 0, iat= 706, 733, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 45 SER QB 49 GLY H 4.81 (#peak 1337 #SUP 0.99 #QF 0.27)
&rst
ixpk= 1337, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 682, 683,
&end
#
# 49 GLY H 68 PRO QD 5.08 (#peak 1337 #SUP 0.99 #QF 0.27)
&rst
ixpk= 1337, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1046,1047,
&end
#
# 49 GLY H 67 PHE HA 5.43 (#peak 1340 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1340, nxpk= 0, iat= 733,1027, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 49 GLY H 50 SER HA 4.74 (#peak 1341 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1341, nxpk= 0, iat= 733, 742, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 49 GLY H 65 PHE QE 4.36 (#peak 1343 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1343, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 996,1000,
&end
#
# 49 GLY H 50 SER H 4.03 (#peak 1345 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1345, nxpk= 0, iat= 733, 740, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 19 GLY H 52 ILE QD1 5.00 (#peak 1348 #SUP 0.51 #QF 0.51)
&rst
ixpk= 1348, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 788, 789, 790,
&end
#
# 18 ILE HG13 19 GLY H 4.32 (#peak 1349 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1349, nxpk= 0, iat= 257, 265, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 18 ILE HG12 19 GLY H 5.00 (#peak 1350 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1350, nxpk= 0, iat= 256, 265, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 ILE QG2 19 GLY H 4.32 (#peak 3349 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3349, nxpk= 0, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 252, 253, 254,
&end
#
# 18 ILE HA 19 GLY H 5.00 (#peak 1356 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1356, nxpk= 0, iat= 248, 265, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 SER QB 19 GLY H 4.61 (#peak 1355 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1355, nxpk= 0, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 228, 229,
&end
#
# 20 HIS HA 19 GLY H 5.50 (#peak 1357 #SUP 0.58 #QF 0.58)
&rst
ixpk= 1357, nxpk= 0, iat= 274, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 THR QG2 85 GLU H 4.24 (#peak 1362 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1362, nxpk= 0, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1320,1321,1322,
&end
#
# 85 GLU H 85 GLU HG3 3.64 (#peak 1367 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1367, nxpk= 0, iat=1328,1336, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 85 GLU H 85 GLU HB2 3.67 (#peak 1368 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1368, nxpk= 0, iat=1328,1332, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 85 GLU H 85 GLU HG2 3.64 (#peak 1369 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1369, nxpk= 0, iat=1328,1335, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 85 GLU H 86 GLU HG2 5.00 (#peak 1370 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1370, nxpk= 0, iat=1328,1350, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 ILE HA 85 GLU H 3.89 (#peak 1371 #SUP 0.99 #QF 0.37)
&rst
ixpk= 1371, nxpk= 0, iat=1280,1328, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 84 THR HB 85 GLU H 3.47 (#peak 1373 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1373, nxpk= 0, iat=1318,1328, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 30 TRP HH2 85 GLU H 4.22 (#peak 1376 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1376, nxpk= 0, iat= 456,1328, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 30 TRP HZ3 85 GLU H 4.08 (#peak 1377 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1377, nxpk= 0, iat= 458,1328, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 85 GLU H 86 GLU H 3.30 (#peak 1379 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1379, nxpk= 0, iat=1328,1343, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 83 GLN H 85 GLU H 4.42 (#peak 1381 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1381, nxpk= 0, iat=1297,1328, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 79 ALA H 81 LEU H 4.14 (#peak 1385 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1385, nxpk= 0, iat=1239,1259, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 18 ILE H 18 ILE HG13 3.52 (#peak 1388 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1388, nxpk= 0, iat= 246, 257, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 18 ILE H 18 ILE HG12 3.32 (#peak 1389 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1389, nxpk= 0, iat= 246, 256, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 18 ILE H 68 PRO QD 5.50 (#peak 1397 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1397, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1046,1047,
&end
#
# 79 ALA H 81 LEU QD1 5 (#peak 1399 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1399, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1268,1269,1270,
&end
#
# 91 ARG H 91 ARG HG3 3.37 (#peak 1402 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1402, nxpk= 0, iat=1425,1433, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 91 ARG H 91 ARG QB 3.16 (#peak 1407 #SUP 0.72 #QF 0.72)
&rst
ixpk= 1407, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1429,1430,
&end
#
# 91 ARG H 92 GLN HG3 4.86 (#peak 1409 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1409, nxpk= 0, iat=1425,1457, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 89 ASN HB2 91 ARG H 5.13 (#peak 1410 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1410, nxpk= 0, iat=1391,1425, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 91 ARG H 91 ARG HD3 4.44 (#peak 1411 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1411, nxpk= 0, iat=1425,1436, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 91 ARG H 91 ARG HD2 4.72 (#peak 1412 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1412, nxpk= 0, iat=1425,1435, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 88 LEU HA 91 ARG H 3.74 (#peak 1414 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1414, nxpk= 0, iat=1370,1425, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 89 ASN HA 91 ARG H 4.05 (#peak 1417 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1417, nxpk= 0, iat=1389,1425, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 90 ARG H 91 ARG H 2.93 (#peak 1418 #SUP 0.87 #QF 0.81)
&rst
ixpk= 1418, nxpk= 0, iat=1401,1425, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 90 ARG HA 91 ARG H 5 (#peak 1416 #SUP 0.87 #QF 0.81)
&rst
ixpk= 1416, nxpk= 0, iat=1403,1425, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 ASN H 91 ARG H 4.34 (#peak 1419 #SUP 0.99 #QF 0.96)
&rst
ixpk= 1419, nxpk= 0, iat=1387,1425, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 91 ARG H 94 ASN H 4.78 (#peak 1419 #SUP 0.99 #QF 0.96)
&rst
ixpk= 1419, nxpk= 0, iat=1425,1485, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 77 VAL QG1 78 VAL H 4.09 (#peak 1422 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1422, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1213,1214,1215,
&end
#
# 77 VAL QG2 78 VAL H 4.09 (#peak 1423 #SUP 1.00)
&rst
ixpk= 1423, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1217,1218,1219,
&end
#
# 78 VAL H 78 VAL QG2 3.86 (#peak 1426 #SUP 1.00)
&rst
ixpk= 1426, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1233,1234,1235,
&end
#
# 78 VAL H 80 ALA QB 5.50 (#peak 1428 #SUP 0.99 #QF 0.24)
&rst
ixpk= 1428, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1253,1254,1255,
&end
#
# 78 VAL H 81 LEU HG 4.75 (#peak 1429 #SUP 0.72 #QF 0.72)
&rst
ixpk= 1429, nxpk= 0, iat=1223,1266, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 78 VAL H 79 ALA QB 4.30 (#peak 1430 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1430, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1243,1244,1245,
&end
#
# 78 VAL H 78 VAL HB 2.83 (#peak 1431 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1431, nxpk= 0, iat=1223,1227, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 74 GLU HA 78 VAL H 4.38 (#peak 1435 #SUP 1.00)
&rst
ixpk= 1435, nxpk= 0, iat=1158,1223, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 75 LYS HA 78 VAL H 4.18 (#peak 1436 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1436, nxpk= 0, iat=1173,1223, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 76 THR HA 78 VAL H 4.97 (#peak 1437 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1437, nxpk= 0, iat=1195,1223, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 77 VAL H 78 VAL H 3.26 (#peak 1439 #SUP 1.00)
&rst
ixpk= 1439, nxpk= 0, iat=1207,1223, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 77 VAL HB 78 VAL H 3.06 (#peak 1441 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1441, nxpk= 0, iat=1211,1223, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 42 GLU H 52 ILE QD1 4.63 (#peak 1442 #SUP 1.00)
&rst
ixpk= 1442, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 788, 789, 790,
&end
#
# 42 GLU H 42 GLU HB2 4.14 (#peak 1447 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1447, nxpk= 0, iat= 625, 629, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 42 GLU H 42 GLU HG2 3.90 (#peak 1448 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1448, nxpk= 0, iat= 625, 632, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 42 GLU H 42 GLU HG3 4.04 (#peak 1449 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1449, nxpk= 0, iat= 625, 633, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 41 ASN HB3 42 GLU H 3.52 (#peak 1450 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1450, nxpk= 0, iat= 616, 625, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 13 HIS HB3 42 GLU H 4.37 (#peak 1452 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1452, nxpk= 0, iat= 182, 625, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 14 THR HB 42 GLU H 4.49 (#peak 1453 #SUP 0.50 #QF 0.50)
&rst
ixpk= 1453, nxpk= 0, iat= 198, 625, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 14 THR HA 42 GLU H 3.72 (#peak 1454 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1454, nxpk= 0, iat= 196, 625, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 41 ASN HA 42 GLU H 2.84 (#peak 1456 #SUP 0.70 #QF 0.70)
&rst
ixpk= 1456, nxpk= 0, iat= 613, 625, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 42 GLU H 43 ARG HA 5.50 (#peak 1457 #SUP 0.98 #QF 0.53)
&rst
ixpk= 1457, nxpk= 0, iat= 625, 642, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLU H 52 ILE HA 5.50 (#peak 1457 #SUP 0.98 #QF 0.53)
&rst
ixpk= 1457, nxpk= 0, iat= 625, 777, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 VAL QQG 57 ASN HD21 3.64 (#peak 1460 #SUP 0.22 #QF 0.22)
&rst
ixpk= 1460, nxpk= 0, iat= 844, 867, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 57 ASN HB2 57 ASN HD21 3.42 (#peak 1461 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1461, nxpk= 0, iat= 861, 867, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 57 ASN HA 57 ASN HD21 4.16 (#peak 1463 #SUP 0.99 #QF 0.98)
&rst
ixpk= 1463, nxpk= 0, iat= 859, 867, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 50 SER H 50 SER HB3 4.18 (#peak 1466 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1466, nxpk= 0, iat= 740, 745, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 49 GLY HA3 50 SER H 3.31 (#peak 1467 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1467, nxpk= 0, iat= 736, 740, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 50 SER H 50 SER HB2 4.18 (#peak 1468 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1468, nxpk= 0, iat= 740, 744, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 49 GLY HA2 50 SER H 3.54 (#peak 1469 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1469, nxpk= 0, iat= 735, 740, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 50 SER H 65 PHE HA 5.50 (#peak 1470 #SUP 0.97 #QF 0.88)
&rst
ixpk= 1470, nxpk= 0, iat= 740, 988, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 SER H 66 LEU HA 5.50 (#peak 1470 #SUP 0.97 #QF 0.88)
&rst
ixpk= 1470, nxpk= 0, iat= 740,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 SER H 51 TRP HA 5 (#peak 1472 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1472, nxpk= 0, iat= 740, 753, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 50 SER H 66 LEU HB2 4.43 (#peak 1473 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1473, nxpk= 0, iat= 740,1010, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 18 ILE QD1 50 SER H 4.42 (#peak 1474 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1474, nxpk= 0, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 259, 260, 261,
&end
#
# 50 SER H 66 LEU HB3 4.29 (#peak 1476 #SUP 1.00)
&rst
ixpk= 1476, nxpk= 0, iat= 740,1011, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 50 SER H 68 PRO QD 4.55 (#peak 1477 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1477, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1046,1047,
&end
#
# 50 SER H 65 PHE QE 4.22 (#peak 1478 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1478, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 996,1000,
&end
#
# 50 SER H 65 PHE HZ 5.03 (#peak 1479 #SUP 0.61 #QF 0.61)
&rst
ixpk= 1479, nxpk= 0, iat= 740, 998, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 50 SER H 51 TRP H 4.59 (#peak 1481 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1481, nxpk= 0, iat= 740, 751, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 89 ASN HB3 89 ASN HD21 3.28 (#peak 1482 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1482, nxpk= 0, iat=1392,1397, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 86 GLU HA 89 ASN HD21 3.95 (#peak 1483 #SUP 0.94 #QF 0.91)
&rst
ixpk= 1483, nxpk= 0, iat=1345,1397, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 89 ASN HA 89 ASN HD21 4.41 (#peak 1484 #SUP 1.00)
&rst
ixpk= 1484, nxpk= 0, iat=1389,1397, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 94 ASN H 94 ASN HD21 3.91 (#peak 1486 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1486, nxpk= 0, iat=1485,1495, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 50 SER H 66 LEU H 3.95 (#peak 1488 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1488, nxpk= 0, iat= 740,1006, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 61 ILE H 62 PHE H 3.00 (#peak 1490 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1490, nxpk= 0, iat= 916, 935, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 62 PHE H 62 PHE QD 4.46 (#peak 1497 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1497, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 943, 951,
&end
#
# 55 THR HA 62 PHE H 4.56 (#peak 1498 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1498, nxpk= 0, iat= 829, 935, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 60 VAL HA 62 PHE H 4.11 (#peak 1503 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1503, nxpk= 0, iat= 902, 935, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 62 PHE H 62 PHE HB2 3.76 (#peak 1504 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1504, nxpk= 0, iat= 935, 939, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 62 PHE H 62 PHE HB3 3.60 (#peak 1505 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1505, nxpk= 0, iat= 935, 940, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 61 ILE HB 62 PHE H 4 (#peak 1507 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1507, nxpk= 0, iat= 920, 935, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 62 PHE H 87 ALA QB 4.97 (#peak 1509 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1509, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1362,1363,1364,
&end
#
# 54 ILE QG1 62 PHE H 5.33 (#peak 1510 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1510, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 818, 819,
&end
#
# 61 ILE HG13 62 PHE H 3.73 (#peak 1511 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1511, nxpk= 0, iat= 927, 935, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 61 ILE HG12 62 PHE H 3.71 (#peak 1512 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1512, nxpk= 0, iat= 926, 935, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 54 ILE QG2 62 PHE H 2.99 (#peak 1515 #SUP 0.73 #QF 0.51)
&rst
ixpk= 1515, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 814, 815, 816,
&end
#
# 92 GLN HE21 93 ILE QG2 4.81 (#peak 1519 #SUP 0.65 #QF 0.65)
&rst
ixpk= 1519, nxpk= 0, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1472,1473,1474,
&end
#
# 58 GLN HA 58 GLN HE21 5 (#peak 1521 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1521, nxpk= 0, iat= 873, 884, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 GLN HB2 58 GLN HE21 4.50 (#peak 1524 #SUP 0.99 #QF 0.84)
&rst
ixpk= 1524, nxpk= 0, iat= 875, 884, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 GLN HB3 58 GLN HE21 4.50 (#peak 1525 #SUP 0.98 #QF 0.96)
&rst
ixpk= 1525, nxpk= 0, iat= 876, 884, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 ASN HD21 38 LEU H 4.54 (#peak 1534 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1534, nxpk= 0, iat= 555, 559, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 8 GLY H 37 ASN HD21 4.18 (#peak 1535 #SUP 0.88 #QF 0.70)
&rst
ixpk= 1535, nxpk= 0, iat= 106, 555, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 30 TRP HB3 31 GLU H 4.60 (#peak 1543 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1543, nxpk= 0, iat= 446, 465, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 31 GLU H 31 GLU HB2 3.69 (#peak 1544 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1544, nxpk= 0, iat= 465, 469, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 30 TRP HA 31 GLU H 2.71 (#peak 1549 #SUP 0.65 #QF 0.65)
&rst
ixpk= 1549, nxpk= 0, iat= 443, 465, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 31 GLU H 32 SER HA 4.73 (#peak 1550 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1550, nxpk= 0, iat= 465, 482, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 30 TRP HZ3 31 GLU H 4.35 (#peak 1552 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1552, nxpk= 0, iat= 458, 465, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 31 GLU H 32 SER H 4.5 (#peak 1553 #SUP 0.66 #QF 0.66)
&rst
ixpk= 1553, nxpk= 0, iat= 465, 480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 TRP H 31 GLU H 4.81 (#peak 1554 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1554, nxpk= 0, iat= 441, 465, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 63 GLN H 64 THR H 4.40 (#peak 1555 #SUP 1.00)
&rst
ixpk= 1555, nxpk= 0, iat= 955, 972, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 62 PHE H 63 GLN H 4.44 (#peak 1556 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1556, nxpk= 0, iat= 935, 955, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 62 PHE QE 63 GLN H 3.91 (#peak 1557 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1557, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 945, 949,
&end
#
# 62 PHE HA 63 GLN H 2.61 (#peak 1559 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1559, nxpk= 0, iat= 937, 955, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, &end
#
# 63 GLN H 64 THR HA 5 (#peak 1561 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1561, nxpk= 0, iat= 955, 974, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 PHE HB2 63 GLN H 3.81 (#peak 1562 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1562, nxpk= 0, iat= 939, 955, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 62 PHE HB3 63 GLN H 4.11 (#peak 1563 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1563, nxpk= 0, iat= 940, 955, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 63 GLN H 63 GLN QG 3.56 (#peak 1565 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1565, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 962, 963,
&end
#
# 63 GLN H 63 GLN QB 3.53 (#peak 1567 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1567, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 959, 960,
&end
#
# 53 THR QG2 63 GLN H 5.5 (#peak 1568 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1568, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 800, 801, 802,
&end
#
# 54 ILE QG2 63 GLN H 4.40 (#peak 1570 #SUP 0.55 #QF 0.55)
&rst
ixpk= 1570, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 814, 815, 816,
&end
#
# 62 PHE QD 63 GLN H 3.44 (#peak 1572 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1572, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 943, 951,
&end
#
# 31 GLU HA 32 SER H 3.13 (#peak 1577 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1577, nxpk= 0, iat= 467, 480, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 31 GLU HB3 32 SER H 4.69 (#peak 1582 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1582, nxpk= 0, iat= 470, 480, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 31 GLU HB2 32 SER H 4.69 (#peak 1583 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1583, nxpk= 0, iat= 469, 480, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 31 GLU QG 32 SER H 4.59 (#peak 1585 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1585, nxpk= 0, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 472, 473,
&end
#
# 35 THR HB 36 GLY H 4.85 (#peak 1588 #SUP 0.93 #QF 0.82)
&rst
ixpk= 1588, nxpk= 0, iat= 528, 538, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 35 THR QG2 36 GLY H 4.53 (#peak 1590 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1590, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 530, 531, 532,
&end
#
# 63 GLN QG 63 GLN HE22 3.59 (#peak 1593 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1593, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 962, 963,
&end
#
# 63 GLN QB 63 GLN HE22 3.93 (#peak 1594 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1594, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 959, 960,
&end
#
# 53 THR QG2 63 GLN HE22 4.31 (#peak 1596 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1596, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 800, 801, 802,
&end
#
# 41 ASN HB2 41 ASN HD21 3.5 (#peak 1600 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1600, nxpk= 0, iat= 615, 621, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 THR QG2 41 ASN HD21 3.85 (#peak 1603 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1603, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 584, 585, 586,
&end
#
# 41 ASN HD21 55 THR QG2 3.92 (#peak 1611 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1611, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 833, 834, 835,
&end
#
# 37 ASN HA 37 ASN HD22 4.19 (#peak 1618 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1618, nxpk= 0, iat= 547, 554, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 58 GLN HB2 58 GLN HE22 4.74 (#peak 1630 #SUP 1.00 #QF 0.97)
&rst
ixpk= 1630, nxpk= 0, iat= 875, 883, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 58 GLN HB3 58 GLN HE22 4.71 (#peak 1631 #SUP 1.00)
&rst
ixpk= 1631, nxpk= 0, iat= 876, 883, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 25 ALA HA 29 LYS H 4.58 (#peak 1643 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1643, nxpk= 0, iat= 368, 419, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 27 SER HA 29 LYS H 4.60 (#peak 1644 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1644, nxpk= 0, iat= 398, 419, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 26 PHE HA 29 LYS H 4.14 (#peak 1645 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1645, nxpk= 0, iat= 378, 419, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 29 LYS H 29 LYS QE 4.97 (#peak 1646 #SUP 1.00 #QF 0.98)
&rst
ixpk= 1646, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 432, 433,
&end
#
# 28 ASP HB2 29 LYS H 3.57 (#peak 1647 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1647, nxpk= 0, iat= 411, 419, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 28 ASP HB3 29 LYS H 3.64 (#peak 1649 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1649, nxpk= 0, iat= 412, 419, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 29 LYS H 29 LYS QG 3.53 (#peak 1652 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1652, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 426, 427,
&end
#
# 29 LYS H 81 LEU QD1 4.26 (#peak 1653 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1653, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1268,1269,1270,
&end
#
# 29 LYS H 81 LEU QD2 3.81 (#peak 1655 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1655, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1272,1273,1274,
&end
#
# 92 GLN QB 92 GLN HE22 4.43 (#peak 1664 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1664, nxpk= 0, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1453,1454,
&end
#
# 42 GLU HA 52 ILE H 4.83 (#peak 1668 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1668, nxpk= 0, iat= 627, 775, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 18 ILE HB 67 PHE H 5.50 (#peak 1670 #SUP 0.56 #QF 0.56)
&rst
ixpk= 1670, nxpk= 0, iat= 250,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 VAL H 6 VAL HB 2.98 (#peak 1672 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1672, nxpk= 0, iat= 76, 80, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 4 VAL HA 6 VAL H 4.73 (#peak 1674 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1674, nxpk= 0, iat= 47, 76, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 5 GLU HA 6 VAL H 2.93 (#peak 1675 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1675, nxpk= 0, iat= 63, 76, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 5 GLU H 6 VAL H 3.58 (#peak 1676 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1676, nxpk= 0, iat= 61, 76, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 9 LEU H 10 LEU H 3.33 (#peak 1677 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1677, nxpk= 0, iat= 113, 132, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 26 PHE QD 30 TRP H 5.33 (#peak 1682 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1682, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 384, 392,
&end
#
# 27 SER HA 30 TRP H 3.68 (#peak 1686 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1686, nxpk= 0, iat= 398, 441, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 27 SER HB2 30 TRP H 5.50 (#peak 1688 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1688, nxpk= 0, iat= 400, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 PHE HA 30 TRP H 5.48 (#peak 1689 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1689, nxpk= 0, iat= 378, 441, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 27 SER HB3 30 TRP H 5.50 (#peak 1689 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1689, nxpk= 0, iat= 401, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 TRP H 30 TRP HB2 3.02 (#peak 1691 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1691, nxpk= 0, iat= 441, 445, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 30 TRP H 30 TRP HB3 3.02 (#peak 1692 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1692, nxpk= 0, iat= 441, 446, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 28 ASP HB3 30 TRP H 5.5 (#peak 1693 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1693, nxpk= 0, iat= 412, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ASP HB2 30 TRP H 5.23 (#peak 1694 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1694, nxpk= 0, iat= 411, 441, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 29 LYS HB2 30 TRP H 4.67 (#peak 1695 #SUP 1.00)
&rst
ixpk= 1695, nxpk= 0, iat= 423, 441, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 29 LYS QG 30 TRP H 4.32 (#peak 1697 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1697, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 426, 427,
&end
#
# 43 ARG HA 51 TRP H 4.62 (#peak 1702 #SUP 0.64 #QF 0.64)
&rst
ixpk= 1702, nxpk= 0, iat= 642, 751, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 42 GLU HA 51 TRP H 4.55 (#peak 1703 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1703, nxpk= 0, iat= 627, 751, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 50 SER HB2 51 TRP H 4.38 (#peak 1708 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1708, nxpk= 0, iat= 744, 751, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 18 ILE QG2 21 ASP H 5.49 (#peak 1710 #SUP 0.86 #QF 0.78)
&rst
ixpk= 1710, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 252, 253, 254,
&end
#
# 43 ARG QG 51 TRP H 4.68 (#peak 1712 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1712, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 647, 648,
&end
#
# 43 ARG HB3 51 TRP H 4.60 (#peak 1713 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1713, nxpk= 0, iat= 645, 751, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 43 ARG HB2 51 TRP H 4.60 (#peak 1714 #SUP 1.00)
&rst
ixpk= 1714, nxpk= 0, iat= 644, 751, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 21 ASP H 21 ASP HB3 3.53 (#peak 1715 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1715, nxpk= 0, iat= 289, 294, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 21 ASP H 21 ASP HB2 3.12 (#peak 1717 #SUP 0.97 #QF 0.93)
&rst
ixpk= 1717, nxpk= 0, iat= 289, 293, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 51 TRP H 51 TRP HB3 3.48 (#peak 1717 #SUP 0.97 #QF 0.93)
&rst
ixpk= 1717, nxpk= 0, iat= 751, 756, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 50 SER HA 51 TRP H 2.98 (#peak 1721 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1721, nxpk= 0, iat= 742, 751, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 51 TRP H 51 TRP HD1 4.48 (#peak 1723 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1723, nxpk= 0, iat= 751, 759, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 20 HIS HD2 21 ASP H 4.75 (#peak 1724 #SUP 0.65 #QF 0.65)
&rst
ixpk= 1724, nxpk= 0, iat= 285, 289, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 21 ASP H 73 PHE QE 4.12 (#peak 1725 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1725, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1146,1150,
&end
#
# 19 GLY H 21 ASP H 4.39 (#peak 1726 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1726, nxpk= 0, iat= 265, 289, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 21 ASP H 73 PHE HZ 4.70 (#peak 1727 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1727, nxpk= 0, iat= 289,1148, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 43 ARG H 51 TRP H 3.78 (#peak 1730 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1730, nxpk= 0, iat= 640, 751, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 29 LYS H 30 TRP H 2.84 (#peak 1732 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1732, nxpk= 0, iat= 419, 441, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 6 VAL H 6 VAL QQG 2.93 (#peak 1733 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1733, nxpk= 0, iat= 76, 79, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 66 LEU HA 67 PHE H 2.87 (#peak 1734 #SUP 0.99 #QF 0.97)
&rst
ixpk= 1734, nxpk= 0, iat=1008,1025, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 42 GLU H 43 ARG H 4.77 (#peak 1740 #SUP 1.00)
&rst
ixpk= 1740, nxpk= 0, iat= 625, 640, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 42 GLU HA 43 ARG H 3.06 (#peak 1741 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1741, nxpk= 0, iat= 627, 640, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 43 ARG H 50 SER HA 4.28 (#peak 1743 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1743, nxpk= 0, iat= 640, 742, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 43 ARG H 51 TRP HA 4.46 (#peak 1744 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1744, nxpk= 0, iat= 640, 753, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 43 ARG H 44 PRO HD2 4.83 (#peak 1745 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1745, nxpk= 0, iat= 640, 665, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 43 ARG H 51 TRP HB2 4.83 (#peak 1747 #SUP 0.91 #QF 0.70)
&rst
ixpk= 1747, nxpk= 0, iat= 640, 755, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 43 ARG H 51 TRP HB3 4.83 (#peak 1747 #SUP 0.91 #QF 0.70)
&rst
ixpk= 1747, nxpk= 0, iat= 640, 756, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 42 GLU HG3 43 ARG H 4.40 (#peak 1748 #SUP 1.00)
&rst
ixpk= 1748, nxpk= 0, iat= 633, 640, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 43 ARG H 43 ARG HB2 3.54 (#peak 1749 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1749, nxpk= 0, iat= 640, 644, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 43 ARG H 43 ARG HB3 3.54 (#peak 1750 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1750, nxpk= 0, iat= 640, 645, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 42 GLU HB3 43 ARG H 4.47 (#peak 1751 #SUP 1.00 #QF 0.84)
&rst
ixpk= 1751, nxpk= 0, iat= 630, 640, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 43 ARG H 43 ARG QG 4.77 (#peak 1751 #SUP 1.00 #QF 0.84)
&rst
ixpk= 1751, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 647, 648,
&end
#
# 43 ARG H 52 ILE QD1 4.17 (#peak 1753 #SUP 1.00)
&rst
ixpk= 1753, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 788, 789, 790,
&end
#
# 42 GLU HB2 43 ARG H 3.83 (#peak 1754 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1754, nxpk= 0, iat= 629, 640, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 51 TRP H 51 TRP HB2 3.48 (#peak 1756 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1756, nxpk= 0, iat= 751, 755, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 50 SER HB3 51 TRP H 4.38 (#peak 1757 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1757, nxpk= 0, iat= 745, 751, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 18 ILE HA 20 HIS H 4.83 (#peak 1759 #SUP 1.00)
&rst
ixpk= 1759, nxpk= 0, iat= 248, 272, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 20 HIS H 20 HIS HD2 4.99 (#peak 1764 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1764, nxpk= 0, iat= 272, 285, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 19 GLY H 20 HIS H 3.44 (#peak 1765 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1765, nxpk= 0, iat= 265, 272, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 18 ILE H 20 HIS H 4.00 (#peak 1766 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1766, nxpk= 0, iat= 246, 272, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 HIS H 21 ASP H 3.33 (#peak 1767 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1767, nxpk= 0, iat= 272, 289, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 17 SER H 20 HIS H 4.81 (#peak 1769 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1769, nxpk= 0, iat= 235, 272, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 10 LEU HG 30 TRP HE1 5.05 (#peak 1805 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1805, nxpk= 0, iat= 139, 451, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 10 LEU QD1 30 TRP HE1 4.15 (#peak 1806 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1806, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 141, 142, 143,
&end
#
# 51 TRP HE1 65 PHE HZ 4.91 (#peak 1813 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1813, nxpk= 0, iat= 761, 998, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 51 TRP HE1 65 PHE QE 4.55 (#peak 1814 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1814, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 996,1000,
&end
#
# 51 TRP HE1 65 PHE QD 4.55 (#peak 1815 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1815, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 994,1002,
&end
#
# 18 ILE H 19 GLY H 3.23 (#peak 1823 #SUP 0.52 #QF 0.52)
&rst
ixpk= 1823, nxpk= 0, iat= 246, 265, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 78 VAL H 79 ALA H 3.03 (#peak 1825 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1825, nxpk= 0, iat=1223,1239, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 18 ILE H 18 ILE QD1 3.62 (#peak 1826 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1826, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 259, 260, 261,
&end
#
# 78 VAL QG2 79 ALA H 4.05 (#peak 1827 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1827, nxpk= 0, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1233,1234,1235,
&end
#
# 78 VAL QG1 79 ALA H 4.05 (#peak 1828 #SUP 1.00)
&rst
ixpk= 1828, nxpk= 0, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1229,1230,1231,
&end
#
# 79 ALA H 79 ALA QB 2.71 (#peak 1830 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1830, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
igr2=1243,1244,1245,
&end
#
# 78 VAL HB 79 ALA H 4.01 (#peak 1831 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1831, nxpk= 0, iat=1227,1239, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 79 ALA H 79 ALA HA 2.94 (#peak 1832 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1832, nxpk= 0, iat=1239,1241, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 76 THR QG2 79 ALA H 4.94 (#peak 1834 #SUP 1.00 #QF 0.25)
&rst
ixpk= 1834, nxpk= 0, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1199,1200,1201,
&end
#
# 79 ALA H 80 ALA QB 5.15 (#peak 1834 #SUP 1.00 #QF 0.25)
&rst
ixpk= 1834, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1253,1254,1255,
&end
#
# 31 GLU H 31 GLU HB3 3.69 (#peak 1846 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1846, nxpk= 0, iat= 465, 470, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 47 ARG H 47 ARG QB 3.71 (#peak 1848 #SUP 1.00)
&rst
ixpk= 1848, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 703, 704,
&end
#
# 89 ASN H 89 ASN HB3 3.49 (#peak 1849 #SUP 1.00)
&rst
ixpk= 1849, nxpk= 0, iat=1387,1392, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 94 ASN H 94 ASN HB3 3.62 (#peak 1852 #SUP 1.00)
&rst
ixpk= 1852, nxpk= 0, iat=1485,1490, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 89 ASN H 90 ARG QB 4.83 (#peak 1858 #SUP 0.70 #QF 0.70)
&rst
ixpk= 1858, nxpk= 0, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1405,1406,
&end
#
# 88 LEU HG 89 ASN H 4.60 (#peak 1860 #SUP 1.00)
&rst
ixpk= 1860, nxpk= 0, iat=1375,1387, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 87 ALA QB 89 ASN H 4.42 (#peak 1861 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1861, nxpk= 0, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1362,1363,1364,
&end
#
# 88 LEU HB2 89 ASN H 3.84 (#peak 1862 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1862, nxpk= 0, iat=1372,1387, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 88 LEU QD1 89 ASN H 5.26 (#peak 1863 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1863, nxpk= 0, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1377,1378,1379,
&end
#
# 88 LEU QD2 89 ASN H 5.26 (#peak 1864 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1864, nxpk= 0, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1381,1382,1383,
&end
#
# 92 GLN HG3 94 ASN H 5.16 (#peak 1865 #SUP 0.97 #QF 0.93)
&rst
ixpk= 1865, nxpk= 0, iat=1457,1485, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 92 GLN QB 94 ASN H 4.80 (#peak 1866 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1866, nxpk= 0, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1453,1454,
&end
#
# 94 ASN H 95 GLN HB2 5.40 (#peak 1867 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1867, nxpk= 0, iat=1485,1503, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 93 ILE HB 94 ASN H 3.31 (#peak 1869 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1869, nxpk= 0, iat=1470,1485, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 94 ASN H 97 LEU HG 4.59 (#peak 1870 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1870, nxpk= 0, iat=1485,1533, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 93 ILE HG13 94 ASN H 4.27 (#peak 1871 #SUP 1.00)
&rst
ixpk= 1871, nxpk= 0, iat=1477,1485, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 93 ILE HG12 94 ASN H 5.02 (#peak 1872 #SUP 1.00)
&rst
ixpk= 1872, nxpk= 0, iat=1476,1485, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 93 ILE QD1 94 ASN H 5.50 (#peak 1874 #SUP 1.00)
&rst
ixpk= 1874, nxpk= 0, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1479,1480,1481,
&end
#
# 90 ARG HA 94 ASN H 4.36 (#peak 1876 #SUP 0.71 #QF 0.71)
&rst
ixpk= 1876, nxpk= 0, iat=1403,1485, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 86 GLU HA 89 ASN H 3.63 (#peak 1878 #SUP 0.53 #QF 0.53)
&rst
ixpk= 1878, nxpk= 0, iat=1345,1387, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 93 ILE H 94 ASN H 2.96 (#peak 1882 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1882, nxpk= 0, iat=1466,1485, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 89 ASN H 90 ARG H 3.21 (#peak 1883 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1883, nxpk= 0, iat=1387,1401, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 94 ASN H 96 ALA H 4.50 (#peak 1885 #SUP 1.00)
&rst
ixpk= 1885, nxpk= 0, iat=1485,1516, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 TRP HZ3 84 THR H 4.54 (#peak 1889 #SUP 0.53 #QF 0.53)
&rst
ixpk= 1889, nxpk= 0, iat= 458,1314, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 65 PHE QD 66 LEU H 4.14 (#peak 1895 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1895, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 994,1002,
&end
#
# 51 TRP HA 66 LEU H 3.83 (#peak 1896 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1896, nxpk= 0, iat= 753,1006, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 65 PHE HA 66 LEU H 3.10 (#peak 1897 #SUP 1.00 #QF 0.70)
&rst
ixpk= 1897, nxpk= 0, iat= 988,1006, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 66 LEU H 66 LEU HB3 3.57 (#peak 1899 #SUP 1.00)
&rst
ixpk= 1899, nxpk= 0, iat=1006,1011, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 66 LEU H 66 LEU HG 3.86 (#peak 1900 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1900, nxpk= 0, iat=1006,1013, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 66 LEU H 66 LEU HB2 3.65 (#peak 1901 #SUP 1.00 #QF 0.91)
&rst
ixpk= 1901, nxpk= 0, iat=1006,1010, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 52 ILE HG13 66 LEU H 4.77 (#peak 1903 #SUP 0.99 #QF 0.90)
&rst
ixpk= 1903, nxpk= 0, iat= 786,1006, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 52 ILE QD1 66 LEU H 5.18 (#peak 1903 #SUP 0.99 #QF 0.90)
&rst
ixpk= 1903, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 788, 789, 790,
&end
#
# 94 ASN H 94 ASN HA 2.86 (#peak 1906 #SUP 0.53 #QF 0.53)
&rst
ixpk= 1906, nxpk= 0, iat=1485,1487, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 92 GLN HA 94 ASN H 4.00 (#peak 1908 #SUP 0.37 #QF 0.37)
&rst
ixpk= 1908, nxpk= 0, iat=1451,1485, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 GLN H 95 GLN HA 2.86 (#peak 1909 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1909, nxpk= 0, iat=1499,1501, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 94 ASN H 94 ASN HB2 3.62 (#peak 1911 #SUP 0.62 #QF 0.50)
&rst
ixpk= 1911, nxpk= 0, iat=1485,1489, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 94 ASN HB2 95 GLN H 4.13 (#peak 1911 #SUP 0.62 #QF 0.50)
&rst
ixpk= 1911, nxpk= 0, iat=1489,1499, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 94 ASN HB3 95 GLN H 4.13 (#peak 1912 #SUP 0.90 #QF 0.54)
&rst
ixpk= 1912, nxpk= 0, iat=1490,1499, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 95 GLN H 95 GLN HB2 2.82 (#peak 1913 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1913, nxpk= 0, iat=1499,1503, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 95 GLN H 95 GLN HG3 3.69 (#peak 1915 #SUP 1.00)
&rst
ixpk= 1915, nxpk= 0, iat=1499,1507, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 95 GLN H 95 GLN HG2 3.69 (#peak 1916 #SUP 1.00)
&rst
ixpk= 1916, nxpk= 0, iat=1499,1506, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 95 GLN H 96 ALA QB 4.68 (#peak 1918 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1918, nxpk= 0, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1520,1521,1522,
&end
#
# 57 ASN HB2 57 ASN HD22 3.83 (#peak 1924 #SUP 1.00)
&rst
ixpk= 1924, nxpk= 0, iat= 861, 866, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 56 VAL QQG 57 ASN HD22 5.47 (#peak 1925 #SUP 0.51 #QF 0.35)
&rst
ixpk= 1925, nxpk= 0, iat= 844, 866, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17, &end
#
# 57 ASN HD21 58 GLN H 4.09 (#peak 1927 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1927, nxpk= 0, iat= 867, 871, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 86 GLU HA 89 ASN HD22 4.18 (#peak 1931 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1931, nxpk= 0, iat=1345,1396, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 89 ASN HA 89 ASN HD22 4.48 (#peak 1932 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1932, nxpk= 0, iat=1389,1396, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 89 ASN HB3 89 ASN HD22 3.85 (#peak 1933 #SUP 1.00)
&rst
ixpk= 1933, nxpk= 0, iat=1392,1396, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 89 ASN HB2 89 ASN HD22 3.69 (#peak 1934 #SUP 1.00)
&rst
ixpk= 1934, nxpk= 0, iat=1391,1396, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 89 ASN HD22 93 ILE QD1 4.16 (#peak 1935 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1935, nxpk= 0, iat=1396, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1479,1480,1481,
&end
#
# 89 ASN HB2 89 ASN HD21 3.09 (#peak 1938 #SUP 0.97 #QF 0.93)
&rst
ixpk= 1938, nxpk= 0, iat=1391,1397, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 94 ASN HB2 94 ASN HD21 3.53 (#peak 1938 #SUP 0.97 #QF 0.93)
&rst
ixpk= 1938, nxpk= 0, iat=1489,1495, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 89 ASN HD21 93 ILE QD1 5 (#peak 1939 #SUP 1.00)
&rst
ixpk= 1939, nxpk= 0, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1479,1480,1481,
&end
#
# 86 GLU HB3 89 ASN HD21 4.98 (#peak 1940 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1940, nxpk= 0, iat=1348,1397, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 90 ARG QB 94 ASN HD21 4.65 (#peak 1941 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1941, nxpk= 0, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1405,1406,
&end
#
# 86 GLU HG3 89 ASN HD21 5.50 (#peak 1942 #SUP 0.80 #QF 0.35)
&rst
ixpk= 1942, nxpk= 0, iat=1351,1397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 ARG H 94 ASN HD21 5.00 (#peak 1943 #SUP 0.64 #QF 0.64)
&rst
ixpk= 1943, nxpk= 0, iat=1425,1495, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 51 TRP HZ3 63 GLN HE21 4.21 (#peak 1949 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1949, nxpk= 0, iat= 768, 968, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 51 TRP HH2 63 GLN HE21 4.06 (#peak 1950 #SUP 0.71 #QF 0.71)
&rst
ixpk= 1950, nxpk= 0, iat= 766, 968, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 51 TRP HE3 63 GLN HE21 4.26 (#peak 1951 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1951, nxpk= 0, iat= 770, 968, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 63 GLN QB 63 GLN HE21 3.80 (#peak 1952 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1952, nxpk= 0, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 959, 960,
&end
#
# 63 GLN HE21 64 THR H 5.12 (#peak 1956 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1956, nxpk= 0, iat= 968, 972, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 51 TRP HE3 63 GLN HE22 4.58 (#peak 1957 #SUP 0.71 #QF 0.71)
&rst
ixpk= 1957, nxpk= 0, iat= 770, 967, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 8 GLY H 37 ASN HD22 4.49 (#peak 1958 #SUP 0.63 #QF 0.44)
&rst
ixpk= 1958, nxpk= 0, iat= 106, 554, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 37 ASN HA 37 ASN HD21 3.60 (#peak 1964 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1964, nxpk= 0, iat= 547, 555, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 36 GLY HA3 37 ASN HD21 5.50 (#peak 1967 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1967, nxpk= 0, iat= 541, 555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 LEU QB 37 ASN HD21 4.30 (#peak 1968 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1968, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 117, 118,
&end
#
# 95 GLN H 95 GLN HE21 4.50 (#peak 1972 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1972, nxpk= 0, iat=1499,1512, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 GLN HG2 95 GLN HE21 3.51 (#peak 1986 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1986, nxpk= 0, iat=1506,1512, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 95 GLN HG3 95 GLN HE21 3.51 (#peak 1987 #SUP 1.00)
&rst
ixpk= 1987, nxpk= 0, iat=1507,1512, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 92 GLN QB 95 GLN HE21 4.26 (#peak 1988 #SUP 0.49 #QF 0.49)
&rst
ixpk= 1988, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1453,1454,
&end
#
# 92 GLN QB 95 GLN HE22 5.31 (#peak 1989 #SUP 0.97 #QF 0.24)
&rst
ixpk= 1989, nxpk= 0, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1453,1454,
&end
#
# 95 GLN HB2 95 GLN HE21 4.58 (#peak 1990 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1990, nxpk= 0, iat=1503,1512, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 63 GLN QG 63 GLN HE21 3.12 (#peak 1991 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1991, nxpk= 0, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 962, 963,
&end
#
# 51 TRP HZ3 63 GLN HE22 4.46 (#peak 1995 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1995, nxpk= 0, iat= 768, 967, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 57 ASN HA 57 ASN HD22 4.57 (#peak 2004 #SUP 1.00)
&rst
ixpk= 2004, nxpk= 0, iat= 859, 866, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 41 ASN HB2 41 ASN HD22 3.88 (#peak 2008 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2008, nxpk= 0, iat= 615, 620, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 39 THR QG2 41 ASN HD22 3.85 (#peak 2011 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2011, nxpk= 0, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 584, 585, 586,
&end
#
# 41 ASN HD22 55 THR QG2 3.92 (#peak 2012 #SUP 0.80 #QF 0.80)
&rst
ixpk= 2012, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 833, 834, 835,
&end
#
# 90 ARG QB 94 ASN HD22 4.57 (#peak 2020 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2020, nxpk= 0, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1405,1406,
&end
#
# 90 ARG QD 94 ASN HD22 5.26 (#peak 2021 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2021, nxpk= 0, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1411,1412,
&end
#
# 94 ASN HB3 94 ASN HD21 3.53 (#peak 2032 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2032, nxpk= 0, iat=1490,1495, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 94 ASN HA 94 ASN HD21 4.24 (#peak 2033 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2033, nxpk= 0, iat=1487,1495, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 83 GLN HG3 83 GLN HE22 3.85 (#peak 2056 #SUP 1.00)
&rst
ixpk= 2056, nxpk= 0, iat=1305,1309, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 83 GLN HB2 83 GLN HE22 4.23 (#peak 2057 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2057, nxpk= 0, iat=1301,1309, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 83 GLN HB3 83 GLN HE22 4.48 (#peak 2058 #SUP 0.75 #QF 0.75)
&rst
ixpk= 2058, nxpk= 0, iat=1302,1309, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 79 ALA QB 83 GLN HE22 3.38 (#peak 2060 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2060, nxpk= 0, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1243,1244,1245,
&end
#
# 80 ALA QB 83 GLN HE21 4.43 (#peak 2064 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2064, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1253,1254,1255,
&end
#
# 79 ALA QB 83 GLN HE21 3.47 (#peak 2065 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2065, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1243,1244,1245,
&end
#
# 79 ALA HA 83 GLN HE21 4.10 (#peak 2067 #SUP 1.00)
&rst
ixpk= 2067, nxpk= 0, iat=1241,1310, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 90 ARG HA 94 ASN HD21 3.71 (#peak 2069 #SUP 0.36 #QF 0.36)
&rst
ixpk= 2069, nxpk= 0, iat=1403,1495, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 79 ALA H 83 GLN HE21 4.85 (#peak 2073 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2073, nxpk= 0, iat=1239,1310, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 90 ARG H 94 ASN HD21 5.32 (#peak 2076 #SUP 0.64 #QF 0.32)
&rst
ixpk= 2076, nxpk= 0, iat=1401,1495, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 80 ALA H 83 GLN HE22 4.58 (#peak 2077 #SUP 0.59 #QF 0.59)
&rst
ixpk= 2077, nxpk= 0, iat=1249,1309, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 83 GLN H 83 GLN HE22 5.41 (#peak 2078 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2078, nxpk= 0, iat=1297,1309, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 62 PHE HZ 83 GLN HE21 4.00 (#peak 2079 #SUP 0.82 #QF 0.82)
&rst
ixpk= 2079, nxpk= 0, iat= 947,1310, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 62 PHE HZ 83 GLN HE22 4.43 (#peak 2082 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2082, nxpk= 0, iat= 947,1309, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 32 SER HA 33 ASP H 2.84 (#peak 2085 #SUP 0.77 #QF 0.77)
&rst
ixpk= 2085, nxpk= 0, iat= 482, 491, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 33 ASP H 34 TYR HB3 4.74 (#peak 2088 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2088, nxpk= 0, iat= 491, 508, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 32 SER HB2 33 ASP H 3.83 (#peak 2089 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2089, nxpk= 0, iat= 484, 491, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 32 SER HB3 33 ASP H 3.83 (#peak 2090 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2090, nxpk= 0, iat= 485, 491, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 33 ASP H 33 ASP HB3 3.89 (#peak 2091 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2091, nxpk= 0, iat= 491, 496, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 33 ASP H 33 ASP HB2 3.89 (#peak 2092 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2092, nxpk= 0, iat= 491, 495, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 33 ASP H 93 ILE QD1 4.43 (#peak 2093 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2093, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1479,1480,1481,
&end
#
# 32 SER H 33 ASP H 4.56 (#peak 2094 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2094, nxpk= 0, iat= 480, 491, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 33 ASP H 34 TYR H 3.31 (#peak 2096 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2096, nxpk= 0, iat= 491, 503, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 100 THR HA 102 ASP H 4.46 (#peak 2100 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2100, nxpk= 0, iat=1577,1596, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 87 ALA H 88 LEU H 3.17 (#peak 2104 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2104, nxpk= 0, iat=1358,1368, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 87 ALA H 89 ASN H 4 (#peak 2107 #SUP 0.55 #QF 0.55)
&rst
ixpk= 2107, nxpk= 0, iat=1358,1387, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 73 PHE H 76 THR H 5.48 (#peak 2111 #SUP 0.93 #QF 0.73)
&rst
ixpk= 2111, nxpk= 0, iat=1136,1193, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 18 ILE H 68 PRO HB3 4.38 (#peak 2117 #SUP 0.28 #QF 0.28)
&rst
ixpk= 2117, nxpk= 0, iat= 246,1053, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 18 ILE H 21 ASP H 5.50 (#peak 2120 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2120, nxpk= 0, iat= 246, 289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 THR QG2 66 LEU H 4.58 (#peak 2121 #SUP 1.00 #QF 0.44)
&rst
ixpk= 2121, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 978, 979, 980,
&end
#
# 65 PHE HB3 66 LEU H 4.56 (#peak 2122 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2122, nxpk= 0, iat= 991,1006, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 65 PHE HB2 66 LEU H 4.56 (#peak 2123 #SUP 1.00)
&rst
ixpk= 2123, nxpk= 0, iat= 990,1006, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 66 LEU H 67 PHE H 4.63 (#peak 2127 #SUP 1.00)
&rst
ixpk= 2127, nxpk= 0, iat=1006,1025, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 67 PHE H 67 PHE HB3 3.84 (#peak 2132 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2132, nxpk= 0, iat=1025,1030, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 80 ALA H 83 GLN H 4.96 (#peak 2135 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2135, nxpk= 0, iat=1249,1297, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 80 ALA H 80 ALA QB 2.77 (#peak 2137 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2137, nxpk= 0, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2=1253,1254,1255,
&end
#
# 80 ALA H 81 LEU HG 4.05 (#peak 2138 #SUP 0.56 #QF 0.56)
&rst
ixpk= 2138, nxpk= 0, iat=1249,1266, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 79 ALA QB 80 ALA H 2.87 (#peak 2139 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2139, nxpk= 0, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1=1243,1244,1245,
&end
#
# 80 ALA H 81 LEU H 3.27 (#peak 2143 #SUP 0.80 #QF 0.80)
&rst
ixpk= 2143, nxpk= 0, iat=1249,1259, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 4 VAL H 6 VAL HB 4.83 (#peak 2159 #SUP 0.42 #QF 0.42)
&rst
ixpk= 2159, nxpk= 0, iat= 45, 80, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 88 LEU H 91 ARG HD3 4.98 (#peak 2164 #SUP 0.61 #QF 0.61)
&rst
ixpk= 2164, nxpk= 0, iat=1368,1436, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 80 ALA HA 84 THR H 4.00 (#peak 2168 #SUP 0.30 #QF 0.30)
&rst
ixpk= 2168, nxpk= 0, iat=1251,1314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 108 PHE H 108 PHE HB2 3.94 (#peak 2170 #SUP 0.99 #QF 0.98)
&rst
ixpk= 2170, nxpk= 0, iat=1681,1685, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 106 ASP HA 108 PHE H 4.24 (#peak 2171 #SUP 0.65 #QF 0.65)
&rst
ixpk= 2171, nxpk= 0, iat=1656,1681, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 22 PHE QE 80 ALA H 5.11 (#peak 2174 #SUP 0.95 #QF 0.56)
&rst
ixpk= 2174, nxpk= 0, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 311, 315,
&end
#
# 22 PHE HZ 80 ALA H 5.50 (#peak 2174 #SUP 0.95 #QF 0.56)
&rst
ixpk= 2174, nxpk= 0, iat= 313,1249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 VAL H 80 ALA H 4.43 (#peak 2177 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2177, nxpk= 0, iat=1223,1249, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 67 PHE HB3 70 LYS H 4.10 (#peak 2181 #SUP 0.67 #QF 0.67)
&rst
ixpk= 2181, nxpk= 0, iat=1030,1078, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 68 PRO QD 70 LYS H 4.51 (#peak 2186 #SUP 0.67 #QF 0.67)
&rst
ixpk= 2186, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1046,1047,
&end
#
# 68 PRO HA 70 LYS H 4.55 (#peak 2187 #SUP 0.79 #QF 0.79)
&rst
ixpk= 2187, nxpk= 0, iat=1055,1078, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 104 ALA H 105 HIS H 3.59 (#peak 2190 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2190, nxpk= 0, iat=1627,1637, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 23 TYR HB3 24 ARG H 3.76 (#peak 2191 #SUP 0.58 #QF 0.58)
&rst
ixpk= 2191, nxpk= 0, iat= 326, 342, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 58 GLN H 58 GLN HG3 3.55 (#peak 2192 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2192, nxpk= 0, iat= 871, 879, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 58 GLN H 58 GLN HG2 3.55 (#peak 2193 #SUP 0.96 #QF 0.86)
&rst
ixpk= 2193, nxpk= 0, iat= 871, 878, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 92 GLN HG3 92 GLN HE22 3.65 (#peak 2195 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2195, nxpk= 0, iat=1457,1461, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 103 LEU HB2 104 ALA H 4.19 (#peak 2198 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2198, nxpk= 0, iat=1612,1627, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 57 ASN HD21 59 ASP H 5.44 (#peak 2201 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2201, nxpk= 0, iat= 867, 888, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 42 GLU H 42 GLU HB3 3.60 (#peak 2203 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2203, nxpk= 0, iat= 625, 630, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 15 VAL H 42 GLU H 4.34 (#peak 2205 #SUP 0.74 #QF 0.74)
&rst
ixpk= 2205, nxpk= 0, iat= 208, 625, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 41 ASN H 42 GLU H 4.47 (#peak 2206 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2206, nxpk= 0, iat= 611, 625, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 6 VAL H 7 PRO HD2 4.13 (#peak 2210 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2210, nxpk= 0, iat= 76, 93, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 6 VAL H 7 PRO HD3 3.95 (#peak 2211 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2211, nxpk= 0, iat= 76, 94, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 66 LEU HB2 67 PHE H 4.48 (#peak 2215 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2215, nxpk= 0, iat=1010,1025, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 66 LEU HB3 67 PHE H 3.91 (#peak 2216 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2216, nxpk= 0, iat=1011,1025, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 67 PHE H 67 PHE QD 3.78 (#peak 2217 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2217, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1033,1041,
&end
#
# 4 VAL H 6 VAL H 5.00 (#peak 2219 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2219, nxpk= 0, iat= 45, 76, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 LYS H 29 LYS QD 3.85 (#peak 2221 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2221, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 429, 430,
&end
#
# 30 TRP HB3 30 TRP HD1 3.83 (#peak 27 #SUP 1.00)
&rst
ixpk= 27, nxpk= 0, iat= 446, 449, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 30 TRP HB2 31 GLU H 4.60 (#peak 29 #SUP 0.97 #QF 0.97)
&rst
ixpk= 29, nxpk= 0, iat= 445, 465, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 27 SER HA 30 TRP HB2 4.29 (#peak 31 #SUP 0.88 #QF 0.88)
&rst
ixpk= 31, nxpk= 0, iat= 398, 445, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 26 PHE QD 30 TRP HB3 5.43 (#peak 33 #SUP 1.00 #QF 0.98)
&rst
ixpk= 33, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 384, 392,
&end
#
# 26 PHE QE 30 TRP HB3 5.50 (#peak 33 #SUP 1.00 #QF 0.98)
&rst
ixpk= 33, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 386, 390,
&end
#
# 27 SER HA 30 TRP HB3 4.29 (#peak 35 #SUP 0.85 #QF 0.85)
&rst
ixpk= 35, nxpk= 0, iat= 398, 446, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 26 PHE QD 30 TRP HB2 5.43 (#peak 44 #SUP 0.99 #QF 0.93)
&rst
ixpk= 44, nxpk= 0, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 384, 392,
&end
#
# 26 PHE QE 30 TRP HB2 5.50 (#peak 44 #SUP 0.99 #QF 0.93)
&rst
ixpk= 44, nxpk= 0, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 386, 390,
&end
#
# 30 TRP HB2 30 TRP HD1 3.83 (#peak 54 #SUP 0.98 #QF 0.98)
&rst
ixpk= 54, nxpk= 0, iat= 445, 449, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 30 TRP HE1 38 LEU QD2 4.51 (#peak 59 #SUP 0.93 #QF 0.93)
&rst
ixpk= 59, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 572, 573, 574,
&end
#
# 30 TRP HE1 38 LEU QD1 4.51 (#peak 60 #SUP 0.96 #QF 0.96)
&rst
ixpk= 60, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 568, 569, 570,
&end
#
# 13 HIS HB3 41 ASN HA 4.01 (#peak 76 #SUP 0.97 #QF 0.97)
&rst
ixpk= 76, nxpk= 0, iat= 182, 613, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 13 HIS HB2 41 ASN HA 3.84 (#peak 77 #SUP 0.93 #QF 0.93)
&rst
ixpk= 77, nxpk= 0, iat= 181, 613, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 13 HIS HB2 41 ASN HB3 4.67 (#peak 85 #SUP 0.92 #QF 0.92)
&rst
ixpk= 85, nxpk= 0, iat= 181, 616, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 13 HIS HB3 41 ASN HB3 4.84 (#peak 86 #SUP 0.97 #QF 0.97)
&rst
ixpk= 86, nxpk= 0, iat= 182, 616, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 11 THR QG2 13 HIS HB3 4.55 (#peak 87 #SUP 0.98 #QF 0.98)
&rst
ixpk= 87, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 157, 158, 159,
&end
#
# 11 THR QG2 13 HIS HB2 3.62 (#peak 88 #SUP 0.70 #QF 0.70)
&rst
ixpk= 88, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 157, 158, 159,
&end
#
# 13 HIS HB2 42 GLU H 5.02 (#peak 91 #SUP 0.87 #QF 0.87)
&rst
ixpk= 91, nxpk= 0, iat= 181, 625, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 108 PHE H 108 PHE HB3 3.94 (#peak 96 #SUP 0.85 #QF 0.85)
&rst
ixpk= 96, nxpk= 0, iat=1681,1686, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 25 ALA H 26 PHE HB2 5.50 (#peak 124 #SUP 0.93 #QF 0.93)
&rst
ixpk= 124, nxpk= 0, iat= 366, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 PHE HB2 74 GLU H 4.05 (#peak 140 #SUP 0.94 #QF 0.94)
&rst
ixpk= 140, nxpk= 0, iat=1140,1156, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 14 THR H 23 TYR HB2 5.23 (#peak 150 #SUP 1.00 #QF 0.86)
&rst
ixpk= 150, nxpk= 0, iat= 194, 325, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 20 HIS HA 23 TYR HB2 4.55 (#peak 158 #SUP 0.89 #QF 0.89)
&rst
ixpk= 158, nxpk= 0, iat= 274, 325, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 20 HIS HA 23 TYR HB3 4.64 (#peak 159 #SUP 0.92 #QF 0.92)
&rst
ixpk= 159, nxpk= 0, iat= 274, 326, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 20 HIS HB2 21 ASP H 4.39 (#peak 162 #SUP 1.00)
&rst
ixpk= 162, nxpk= 0, iat= 276, 289, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 17 SER HA 20 HIS HB2 4.80 (#peak 168 #SUP 0.89 #QF 0.89)
&rst
ixpk= 168, nxpk= 0, iat= 237, 276, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 17 SER HA 20 HIS HB3 4.36 (#peak 169 #SUP 0.58 #QF 0.58)
&rst
ixpk= 169, nxpk= 0, iat= 237, 277, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 8 GLY HA2 9 LEU HA 4.72 (#peak 191 #SUP 0.84 #QF 0.84)
&rst
ixpk= 191, nxpk= 0, iat= 108, 115, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 7 PRO HA 8 GLY HA3 5.21 (#peak 192 #SUP 0.97 #QF 0.57)
&rst
ixpk= 192, nxpk= 0, iat= 102, 109, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 8 GLY HA3 9 LEU HA 5.50 (#peak 192 #SUP 0.97 #QF 0.57)
&rst
ixpk= 192, nxpk= 0, iat= 109, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 GLY HA2 9 LEU QB 5.14 (#peak 193 #SUP 1.00)
&rst
ixpk= 193, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 117, 118,
&end
#
# 8 GLY HA3 9 LEU QB 5.37 (#peak 194 #SUP 0.96 #QF 0.96)
&rst
ixpk= 194, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 117, 118,
&end
#
# 19 GLY HA2 20 HIS HA 5.15 (#peak 197 #SUP 0.55 #QF 0.55)
&rst
ixpk= 197, nxpk= 0, iat= 267, 274, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 18 ILE HG13 19 GLY HA3 5.19 (#peak 199 #SUP 1.00 #QF 0.99)
&rst
ixpk= 199, nxpk= 0, iat= 257, 268, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 19 GLY HA3 22 PHE HB2 4.85 (#peak 204 #SUP 0.73 #QF 0.73)
&rst
ixpk= 204, nxpk= 0, iat= 268, 305, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 14 THR HB 19 GLY HA2 4.94 (#peak 205 #SUP 0.94 #QF 0.94)
&rst
ixpk= 205, nxpk= 0, iat= 198, 267, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 14 THR HB 19 GLY HA3 4.22 (#peak 206 #SUP 0.87 #QF 0.87)
&rst
ixpk= 206, nxpk= 0, iat= 198, 268, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 49 GLY HA3 65 PHE QE 4.81 (#peak 216 #SUP 0.97 #QF 0.97)
&rst
ixpk= 216, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 996,1000,
&end
#
# 49 GLY HA3 67 PHE HA 4.36 (#peak 217 #SUP 0.81 #QF 0.81)
&rst
ixpk= 217, nxpk= 0, iat= 736,1027, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 49 GLY HA3 68 PRO HB3 5.25 (#peak 218 #SUP 1.00 #QF 0.96)
&rst
ixpk= 218, nxpk= 0, iat= 736,1053, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 36 GLY HA2 56 VAL QQG 5.00 (#peak 219 #SUP 0.85 #QF 0.85)
&rst
ixpk= 219, nxpk= 0, iat= 540, 844, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 49 GLY HA3 68 PRO QD 4.17 (#peak 221 #SUP 0.91 #QF 0.91)
&rst
ixpk= 221, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1046,1047,
&end
#
# 49 GLY HA2 67 PHE HA 5.46 (#peak 225 #SUP 0.91 #QF 0.91)
&rst
ixpk= 225, nxpk= 0, iat= 735,1027, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 4 VAL QQG 5 GLU HG2 5.50 (#peak 261 #SUP 0.90 #QF 0.62)
&rst
ixpk= 261, nxpk= 0, iat= 48, 68, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 4 VAL QQG 5 GLU HG3 5.50 (#peak 262 #SUP 0.98 #QF 0.94)
&rst
ixpk= 262, nxpk= 0, iat= 48, 69, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 26 PHE HZ 81 LEU HA 4.11 (#peak 280 #SUP 0.70 #QF 0.70)
&rst
ixpk= 280, nxpk= 0, iat= 388,1261, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 55 THR HA 55 THR QG2 3.86 (#peak 285 #SUP 0.89 #QF 0.89)
&rst
ixpk= 285, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 833, 834, 835,
&end
#
# 55 THR HA 56 VAL QQG 4.62 (#peak 287 #SUP 0.82 #QF 0.82)
&rst
ixpk= 287, nxpk= 0, iat= 829, 844, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, &end
#
# 55 THR HA 61 ILE HG12 4.78 (#peak 288 #SUP 0.79 #QF 0.79)
&rst
ixpk= 288, nxpk= 0, iat= 829, 926, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 81 LEU HA 81 LEU HG 4.16 (#peak 291 #SUP 0.99 #QF 0.99)
&rst
ixpk= 291, nxpk= 0, iat=1261,1266, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 81 LEU HA 84 THR QG2 4.70 (#peak 293 #SUP 0.72 #QF 0.72)
&rst
ixpk= 293, nxpk= 0, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1320,1321,1322,
&end
#
# 24 ARG HA 24 ARG QD 4.55 (#peak 299 #SUP 0.97 #QF 0.97)
&rst
ixpk= 299, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 352, 353,
&end
#
# 23 TYR HB3 24 ARG HA 4.58 (#peak 300 #SUP 0.76 #QF 0.76)
&rst
ixpk= 300, nxpk= 0, iat= 326, 344, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 24 ARG HA 26 PHE H 5.07 (#peak 305 #SUP 0.99 #QF 0.52)
&rst
ixpk= 305, nxpk= 0, iat= 344, 376, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 55 THR HB 58 GLN HA 4.53 (#peak 313 #SUP 0.83 #QF 0.83)
&rst
ixpk= 313, nxpk= 0, iat= 831, 873, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 55 THR HB 58 GLN H 5.50 (#peak 317 #SUP 0.92 #QF 0.92)
&rst
ixpk= 317, nxpk= 0, iat= 831, 871, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 THR HB 55 THR QG2 4.19 (#peak 320 #SUP 0.74 #QF 0.74)
&rst
ixpk= 320, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 833, 834, 835,
&end
#
# 11 THR HB 39 THR HA 4.55 (#peak 338 #SUP 0.78 #QF 0.78)
&rst
ixpk= 338, nxpk= 0, iat= 155, 580, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 37 ASN HB3 38 LEU H 4.64 (#peak 358 #SUP 1.00)
&rst
ixpk= 358, nxpk= 0, iat= 550, 559, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 37 ASN H 37 ASN HB3 3.71 (#peak 360 #SUP 0.98 #QF 0.98)
&rst
ixpk= 360, nxpk= 0, iat= 545, 550, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 37 ASN HB2 56 VAL HA 5.39 (#peak 363 #SUP 0.66 #QF 0.66)
&rst
ixpk= 363, nxpk= 0, iat= 549, 843, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 37 ASN HB3 56 VAL HA 5.39 (#peak 364 #SUP 0.94 #QF 0.94)
&rst
ixpk= 364, nxpk= 0, iat= 550, 843, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 38 LEU H 38 LEU HB2 4.17 (#peak 372 #SUP 1.00)
&rst
ixpk= 372, nxpk= 0, iat= 559, 563, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 38 LEU HB3 56 VAL QQG 4.45 (#peak 377 #SUP 0.99 #QF 0.98)
&rst
ixpk= 377, nxpk= 0, iat= 564, 844, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15, &end
#
# 38 LEU HB2 56 VAL QQG 4.77 (#peak 378 #SUP 1.00 #QF 0.97)
&rst
ixpk= 378, nxpk= 0, iat= 563, 844, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, &end
#
# 38 LEU HB2 61 ILE QD1 4.16 (#peak 382 #SUP 0.81 #QF 0.81)
&rst
ixpk= 382, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 929, 930, 931,
&end
#
# 38 LEU HB2 54 ILE QD1 3.41 (#peak 383 #SUP 0.97 #QF 0.97)
&rst
ixpk= 383, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 821, 822, 823,
&end
#
# 38 LEU HB3 54 ILE QD1 3.40 (#peak 384 #SUP 0.96 #QF 0.96)
&rst
ixpk= 384, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 821, 822, 823,
&end
#
# 38 LEU HB2 39 THR HA 5.01 (#peak 390 #SUP 0.85 #QF 0.85)
&rst
ixpk= 390, nxpk= 0, iat= 563, 580, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 38 LEU HB2 54 ILE HA 5.50 (#peak 392 #SUP 0.92 #QF 0.92)
&rst
ixpk= 392, nxpk= 0, iat= 563, 810, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 TYR QE 38 LEU HB3 4.53 (#peak 393 #SUP 0.84 #QF 0.84)
&rst
ixpk= 393, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 513, 518,
&end
#
# 38 LEU HB2 57 ASN H 4.94 (#peak 397 #SUP 0.99 #QF 0.99)
&rst
ixpk= 397, nxpk= 0, iat= 563, 857, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 38 LEU HB3 57 ASN H 4.96 (#peak 398 #SUP 0.86 #QF 0.86)
&rst
ixpk= 398, nxpk= 0, iat= 564, 857, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 23 TYR QD 40 ILE HB 3.80 (#peak 400 #SUP 0.98 #QF 0.98)
&rst
ixpk= 400, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 329, 338,
&end
#
# 39 THR HA 40 ILE HB 4.80 (#peak 401 #SUP 0.93 #QF 0.93)
&rst
ixpk= 401, nxpk= 0, iat= 580, 596, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 12 ASP HA 40 ILE HB 4.46 (#peak 404 #SUP 0.95 #QF 0.95)
&rst
ixpk= 404, nxpk= 0, iat= 167, 596, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 23 TYR HA 40 ILE HB 4.94 (#peak 410 #SUP 1.00)
&rst
ixpk= 410, nxpk= 0, iat= 323, 596, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 23 TYR QD 40 ILE QG2 3.76 (#peak 413 #SUP 0.95 #QF 0.95)
&rst
ixpk= 413, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 329, 338,
igr2= 598, 599, 600,
&end
#
# 22 PHE QD 40 ILE QG2 3.27 (#peak 414 #SUP 0.95 #QF 0.95)
&rst
ixpk= 414, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 309, 317,
igr2= 598, 599, 600,
&end
#
# 22 PHE QE 40 ILE QG2 3.50 (#peak 415 #SUP 0.98 #QF 0.98)
&rst
ixpk= 415, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 311, 315,
igr2= 598, 599, 600,
&end
#
# 13 HIS H 40 ILE QG2 4.79 (#peak 419 #SUP 0.97 #QF 0.97)
&rst
ixpk= 419, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 598, 599, 600,
&end
#
# 40 ILE HA 40 ILE QG2 3.36 (#peak 422 #SUP 0.96 #QF 0.96)
&rst
ixpk= 422, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 598, 599, 600,
&end
#
# 14 THR HB 40 ILE QG2 4.26 (#peak 423 #SUP 0.89 #QF 0.89)
&rst
ixpk= 423, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 598, 599, 600,
&end
#
# 23 TYR HA 40 ILE QG2 4.06 (#peak 424 #SUP 0.97 #QF 0.97)
&rst
ixpk= 424, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 598, 599, 600,
&end
#
# 22 PHE HB2 40 ILE QG2 4.78 (#peak 425 #SUP 0.87 #QF 0.87)
&rst
ixpk= 425, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 598, 599, 600,
&end
#
# 23 TYR HB2 40 ILE QG2 4.20 (#peak 426 #SUP 0.92 #QF 0.92)
&rst
ixpk= 426, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 598, 599, 600,
&end
#
# 40 ILE QG2 40 ILE QG1 3.28 (#peak 428 #SUP 0.90 #QF 0.90)
&rst
ixpk= 428, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 598, 599, 600,
igr2= 602, 603,
&end
#
# 23 TYR QD 40 ILE QD1 3.22 (#peak 434 #SUP 0.97 #QF 0.97)
&rst
ixpk= 434, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 329, 338,
igr2= 605, 606, 607,
&end
#
# 22 PHE QD 40 ILE QD1 3.46 (#peak 435 #SUP 0.80 #QF 0.80)
&rst
ixpk= 435, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 309, 317,
igr2= 605, 606, 607,
&end
#
# 22 PHE QE 40 ILE QD1 3.37 (#peak 436 #SUP 0.93 #QF 0.93)
&rst
ixpk= 436, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 311, 315,
igr2= 605, 606, 607,
&end
#
# 40 ILE H 40 ILE QD1 3.94 (#peak 437 #SUP 0.98 #QF 0.98)
&rst
ixpk= 437, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 605, 606, 607,
&end
#
# 27 SER H 40 ILE QD1 3.91 (#peak 438 #SUP 0.99 #QF 0.99)
&rst
ixpk= 438, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 605, 606, 607,
&end
#
# 13 HIS H 40 ILE QD1 5.37 (#peak 439 #SUP 0.99 #QF 0.99)
&rst
ixpk= 439, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 605, 606, 607,
&end
#
# 23 TYR H 40 ILE QD1 4.33 (#peak 440 #SUP 0.93 #QF 0.93)
&rst
ixpk= 440, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 605, 606, 607,
&end
#
# 26 PHE QD 40 ILE QD1 3.53 (#peak 443 #SUP 0.99 #QF 0.96)
&rst
ixpk= 443, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 384, 392,
igr2= 605, 606, 607,
&end
#
# 10 LEU HA 40 ILE QD1 5.01 (#peak 444 #SUP 0.69 #QF 0.69)
&rst
ixpk= 444, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 605, 606, 607,
&end
#
# 40 ILE HA 40 ILE QD1 3.94 (#peak 445 #SUP 0.92 #QF 0.92)
&rst
ixpk= 445, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 605, 606, 607,
&end
#
# 22 PHE HA 40 ILE QD1 5.41 (#peak 447 #SUP 0.97 #QF 0.97)
&rst
ixpk= 447, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 605, 606, 607,
&end
#
# 23 TYR HA 40 ILE QD1 3.35 (#peak 448 #SUP 0.99 #QF 0.99)
&rst
ixpk= 448, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 605, 606, 607,
&end
#
# 23 TYR HB3 40 ILE QD1 4.46 (#peak 449 #SUP 0.78 #QF 0.78)
&rst
ixpk= 449, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 605, 606, 607,
&end
#
# 23 TYR HB2 40 ILE QD1 4.13 (#peak 450 #SUP 0.99 #QF 0.99)
&rst
ixpk= 450, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 605, 606, 607,
&end
#
# 40 ILE HB 40 ILE QD1 3.34 (#peak 453 #SUP 0.99 #QF 0.99)
&rst
ixpk= 453, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 605, 606, 607,
&end
#
# 40 ILE QG2 40 ILE QD1 2.95 (#peak 457 #SUP 0.98 #QF 0.98)
&rst
ixpk= 457, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 598, 599, 600,
igr2= 605, 606, 607,
&end
#
# 52 ILE HB 52 ILE QD1 3.39 (#peak 462 #SUP 0.98 #QF 0.98)
&rst
ixpk= 462, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 788, 789, 790,
&end
#
# 42 GLU HB3 52 ILE QD1 3.90 (#peak 463 #SUP 0.99 #QF 0.99)
&rst
ixpk= 463, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 788, 789, 790,
&end
#
# 42 GLU HB2 52 ILE QD1 3.89 (#peak 464 #SUP 1.00)
&rst
ixpk= 464, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 788, 789, 790,
&end
#
# 42 GLU HG3 52 ILE QD1 4.52 (#peak 465 #SUP 0.77 #QF 0.77)
&rst
ixpk= 465, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 788, 789, 790,
&end
#
# 19 GLY HA3 52 ILE QD1 3.85 (#peak 468 #SUP 0.98 #QF 0.98)
&rst
ixpk= 468, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 788, 789, 790,
&end
#
# 22 PHE HB3 52 ILE QD1 4.07 (#peak 469 #SUP 0.99 #QF 0.87)
&rst
ixpk= 469, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 788, 789, 790,
&end
#
# 19 GLY HA2 52 ILE QD1 4.03 (#peak 470 #SUP 0.97 #QF 0.97)
&rst
ixpk= 470, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 788, 789, 790,
&end
#
# 52 ILE QD1 66 LEU HA 5.50 (#peak 471 #SUP 0.98 #QF 0.98)
&rst
ixpk= 471, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 788, 789, 790,
&end
#
# 51 TRP HA 52 ILE QD1 4.51 (#peak 472 #SUP 0.90 #QF 0.90)
&rst
ixpk= 472, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 788, 789, 790,
&end
#
# 52 ILE HA 52 ILE QD1 3.33 (#peak 473 #SUP 0.98 #QF 0.98)
&rst
ixpk= 473, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 788, 789, 790,
&end
#
# 42 GLU HA 52 ILE QD1 3.81 (#peak 474 #SUP 0.99 #QF 0.99)
&rst
ixpk= 474, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 788, 789, 790,
&end
#
# 22 PHE QD 52 ILE QD1 4.07 (#peak 475 #SUP 0.96 #QF 0.96)
&rst
ixpk= 475, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 309, 317,
igr2= 788, 789, 790,
&end
#
# 22 PHE QE 52 ILE QD1 4.66 (#peak 476 #SUP 0.97 #QF 0.97)
&rst
ixpk= 476, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 311, 315,
igr2= 788, 789, 790,
&end
#
# 52 ILE QD1 53 THR H 3.78 (#peak 477 #SUP 0.97 #QF 0.97)
&rst
ixpk= 477, nxpk= 0, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 788, 789, 790,
&end
#
# 51 TRP H 52 ILE QD1 4.56 (#peak 478 #SUP 0.99 #QF 0.99)
&rst
ixpk= 478, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 788, 789, 790,
&end
#
# 52 ILE H 52 ILE QD1 4.15 (#peak 482 #SUP 0.67 #QF 0.67)
&rst
ixpk= 482, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 788, 789, 790,
&end
#
# 25 ALA QB 77 VAL QG1 2.83 (#peak 489 #SUP 0.89 #QF 0.89)
&rst
ixpk= 489, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 370, 371, 372,
igr2=1213,1214,1215,
&end
#
# 22 PHE HA 77 VAL QG1 4.17 (#peak 491 #SUP 0.60 #QF 0.60)
&rst
ixpk= 491, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1213,1214,1215,
&end
#
# 73 PHE QE 77 VAL QG1 4.36 (#peak 495 #SUP 0.93 #QF 0.62)
&rst
ixpk= 495, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1146,1150,
igr2=1213,1214,1215,
&end
#
# 30 TRP H 81 LEU QD2 3.71 (#peak 502 #SUP 0.94 #QF 0.94)
&rst
ixpk= 502, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1272,1273,1274,
&end
#
# 31 GLU H 81 LEU QD2 4.03 (#peak 503 #SUP 0.89 #QF 0.89)
&rst
ixpk= 503, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1272,1273,1274,
&end
#
# 30 TRP HZ3 81 LEU QD2 3.75 (#peak 505 #SUP 0.95 #QF 0.95)
&rst
ixpk= 505, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1272,1273,1274,
&end
#
# 26 PHE QD 81 LEU QD2 4.11 (#peak 507 #SUP 0.99 #QF 0.96)
&rst
ixpk= 507, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 384, 392,
igr2=1272,1273,1274,
&end
#
# 26 PHE QE 81 LEU QD2 4.60 (#peak 507 #SUP 0.99 #QF 0.96)
&rst
ixpk= 507, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 386, 390,
igr2=1272,1273,1274,
&end
#
# 26 PHE HZ 81 LEU QD2 4.09 (#peak 508 #SUP 0.90 #QF 0.90)
&rst
ixpk= 508, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1272,1273,1274,
&end
#
# 30 TRP HA 81 LEU QD2 3.21 (#peak 511 #SUP 0.91 #QF 0.91)
&rst
ixpk= 511, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1272,1273,1274,
&end
#
# 29 LYS HA 81 LEU QD2 4.69 (#peak 513 #SUP 0.99 #QF 0.99)
&rst
ixpk= 513, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1272,1273,1274,
&end
#
# 81 LEU HA 81 LEU QD2 3.07 (#peak 514 #SUP 0.97 #QF 0.97)
&rst
ixpk= 514, nxpk= 0, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1272,1273,1274,
&end
#
# 26 PHE HA 81 LEU QD2 3.38 (#peak 515 #SUP 0.96 #QF 0.96)
&rst
ixpk= 515, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1272,1273,1274,
&end
#
# 29 LYS QE 81 LEU QD2 5.27 (#peak 516 #SUP 1.00 #QF 0.34)
&rst
ixpk= 516, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 432, 433,
igr2=1272,1273,1274,
&end
#
# 18 ILE H 18 ILE HB 3.56 (#peak 524 #SUP 1.00)
&rst
ixpk= 524, nxpk= 0, iat= 246, 250, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 18 ILE HB 19 GLY H 3.97 (#peak 525 #SUP 0.99 #QF 0.99)
&rst
ixpk= 525, nxpk= 0, iat= 250, 265, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 18 ILE HB 73 PHE QD 4.88 (#peak 526 #SUP 0.96 #QF 0.81)
&rst
ixpk= 526, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1144,1152,
&end
#
# 76 THR H 79 ALA QB 5.19 (#peak 542 #SUP 0.99 #QF 0.76)
&rst
ixpk= 542, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1243,1244,1245,
&end
#
# 79 ALA QB 82 ILE H 5.50 (#peak 542 #SUP 0.99 #QF 0.76)
&rst
ixpk= 542, nxpk= 0, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1243,1244,1245,
&end
#
# 62 PHE HZ 79 ALA QB 4.60 (#peak 547 #SUP 0.77 #QF 0.77)
&rst
ixpk= 547, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1243,1244,1245,
&end
#
# 78 VAL HA 79 ALA QB 5.06 (#peak 548 #SUP 0.95 #QF 0.95)
&rst
ixpk= 548, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1243,1244,1245,
&end
#
# 79 ALA QB 80 ALA HA 4.06 (#peak 549 #SUP 0.99 #QF 0.99)
&rst
ixpk= 549, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1243,1244,1245,
&end
#
# 79 ALA QB 83 GLN HG2 5.5 (#peak 550 #SUP 1.00)
&rst
ixpk= 550, nxpk= 0, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1243,1244,1245,
&end
#
# 78 VAL HB 79 ALA QB 4.65 (#peak 552 #SUP 0.92 #QF 0.65)
&rst
ixpk= 552, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1243,1244,1245,
&end
#
# 79 ALA QB 83 GLN HB2 4.91 (#peak 552 #SUP 0.92 #QF 0.65)
&rst
ixpk= 552, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1243,1244,1245,
&end
#
# 78 VAL QG2 79 ALA QB 4.99 (#peak 553 #SUP 0.98 #QF 0.98)
&rst
ixpk= 553, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1233,1234,1235,
igr2=1243,1244,1245,
&end
#
# 79 ALA QB 82 ILE QD1 4.77 (#peak 554 #SUP 0.47 #QF 0.47)
&rst
ixpk= 554, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1=1243,1244,1245,
igr2=1291,1292,1293,
&end
#
# 79 ALA QB 81 LEU H 4.45 (#peak 560 #SUP 0.88 #QF 0.88)
&rst
ixpk= 560, nxpk= 0, iat= -1,1259, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1243,1244,1245,
&end
#
# 79 ALA QB 83 GLN H 4.50 (#peak 561 #SUP 0.98 #QF 0.98)
&rst
ixpk= 561, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1243,1244,1245,
&end
#
# 77 VAL HA 79 ALA QB 5.49 (#peak 565 #SUP 0.99 #QF 0.99)
&rst
ixpk= 565, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1243,1244,1245,
&end
#
# 79 ALA QB 80 ALA QB 4.59 (#peak 567 #SUP 0.97 #QF 0.76)
&rst
ixpk= 567, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1243,1244,1245,
igr2=1253,1254,1255,
&end
#
# 79 ALA HA 80 ALA HA 4.86 (#peak 573 #SUP 0.81 #QF 0.81)
&rst
ixpk= 573, nxpk= 0, iat=1241,1251, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 87 ALA HA 91 ARG HD2 4.96 (#peak 574 #SUP 0.21 #QF 0.21)
&rst
ixpk= 574, nxpk= 0, iat=1360,1435, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 68 PRO QD 69 LEU HA 5.50 (#peak 576 #SUP 0.72 #QF 0.72)
&rst
ixpk= 576, nxpk= 0, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1046,1047,
&end
#
# 68 PRO HA 69 LEU HA 4.97 (#peak 577 #SUP 0.75 #QF 0.75)
&rst
ixpk= 577, nxpk= 0, iat=1055,1061, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 26 PHE HZ 40 ILE QD1 4.54 (#peak 584 #SUP 0.63 #QF 0.63)
&rst
ixpk= 584, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 605, 606, 607,
&end
#
# 23 TYR QE 40 ILE QD1 3.76 (#peak 585 #SUP 0.56 #QF 0.56)
&rst
ixpk= 585, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 331, 336,
igr2= 605, 606, 607,
&end
#
# 39 THR HA 40 ILE QD1 4.50 (#peak 590 #SUP 0.90 #QF 0.90)
&rst
ixpk= 590, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 605, 606, 607,
&end
#
# 12 ASP HA 40 ILE QD1 4.90 (#peak 591 #SUP 0.92 #QF 0.92)
&rst
ixpk= 591, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 605, 606, 607,
&end
#
# 27 SER HA 40 ILE QD1 4.64 (#peak 592 #SUP 0.89 #QF 0.89)
&rst
ixpk= 592, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 605, 606, 607,
&end
#
# 26 PHE HB3 40 ILE QD1 3.81 (#peak 595 #SUP 0.97 #QF 0.97)
&rst
ixpk= 595, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 605, 606, 607,
&end
#
# 26 PHE HB2 40 ILE QD1 3.77 (#peak 596 #SUP 0.89 #QF 0.89)
&rst
ixpk= 596, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 605, 606, 607,
&end
#
# 10 LEU HB2 40 ILE QD1 4.97 (#peak 597 #SUP 0.97 #QF 0.97)
&rst
ixpk= 597, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 605, 606, 607,
&end
#
# 10 LEU HG 40 ILE QD1 5 (#peak 598 #SUP 0.91 #QF 0.91)
&rst
ixpk= 598, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 605, 606, 607,
&end
#
# 14 THR QG2 40 ILE QD1 4.01 (#peak 601 #SUP 0.98 #QF 0.98)
&rst
ixpk= 601, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 200, 201, 202,
igr2= 605, 606, 607,
&end
#
# 18 ILE H 18 ILE QG2 3.26 (#peak 631 #SUP 0.99 #QF 0.99)
&rst
ixpk= 631, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 252, 253, 254,
&end
#
# 18 ILE QG2 73 PHE QD 3.45 (#peak 633 #SUP 0.93 #QF 0.93)
&rst
ixpk= 633, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 252, 253, 254,
igr2=1144,1152,
&end
#
# 18 ILE QG2 73 PHE HB3 4.26 (#peak 640 #SUP 0.85 #QF 0.85)
&rst
ixpk= 640, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 252, 253, 254,
&end
#
# 18 ILE QG2 67 PHE HA 4.61 (#peak 643 #SUP 0.66 #QF 0.66)
&rst
ixpk= 643, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 252, 253, 254,
&end
#
# 83 GLN HA 84 THR HA 5.31 (#peak 667 #SUP 1.00 #QF 0.95)
&rst
ixpk= 667, nxpk= 0, iat=1299,1316, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 84 THR HA 85 GLU HA 5.50 (#peak 667 #SUP 1.00 #QF 0.95)
&rst
ixpk= 667, nxpk= 0, iat=1316,1330, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 THR HA 86 GLU H 4.72 (#peak 669 #SUP 0.97 #QF 0.41)
&rst
ixpk= 669, nxpk= 0, iat=1316,1343, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 84 THR HA 87 ALA QB 3.65 (#peak 670 #SUP 0.88 #QF 0.88)
&rst
ixpk= 670, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1362,1363,1364,
&end
#
# 62 PHE HB2 84 THR HA 4.78 (#peak 671 #SUP 0.83 #QF 0.83)
&rst
ixpk= 671, nxpk= 0, iat= 939,1316, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 84 THR HA 84 THR QG2 3.50 (#peak 672 #SUP 0.98 #QF 0.98)
&rst
ixpk= 672, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1320,1321,1322,
&end
#
# 61 ILE QG2 84 THR HA 5.24 (#peak 673 #SUP 0.86 #QF 0.86)
&rst
ixpk= 673, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 922, 923, 924,
&end
#
# 14 THR HB 52 ILE QD1 4.43 (#peak 682 #SUP 0.77 #QF 0.77)
&rst
ixpk= 682, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 788, 789, 790,
&end
#
# 26 PHE HZ 84 THR HB 4.72 (#peak 686 #SUP 0.93 #QF 0.93)
&rst
ixpk= 686, nxpk= 0, iat= 388,1318, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 81 LEU HA 84 THR HB 4.86 (#peak 693 #SUP 0.97 #QF 0.97)
&rst
ixpk= 693, nxpk= 0, iat=1261,1318, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 73 PHE QD 74 GLU HA 4.29 (#peak 698 #SUP 1.00)
&rst
ixpk= 698, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1144,1152,
&end
#
# 27 SER HA 30 TRP HD1 4.71 (#peak 709 #SUP 0.96 #QF 0.96)
&rst
ixpk= 709, nxpk= 0, iat= 398, 449, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 26 PHE QD 27 SER HA 4.65 (#peak 710 #SUP 1.00)
&rst
ixpk= 710, nxpk= 0, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 384, 392,
&end
#
# 27 SER H 27 SER HB3 3.64 (#peak 715 #SUP 0.96 #QF 0.96)
&rst
ixpk= 715, nxpk= 0, iat= 396, 401, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 27 SER HB2 28 ASP H 4.20 (#peak 723 #SUP 0.98 #QF 0.98)
&rst
ixpk= 723, nxpk= 0, iat= 400, 407, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 10 LEU QD2 27 SER HB3 4.46 (#peak 730 #SUP 1.00)
&rst
ixpk= 730, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 145, 146, 147,
&end
#
# 26 PHE HA 26 PHE QD 4.18 (#peak 738 #SUP 0.98 #QF 0.98)
&rst
ixpk= 738, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 384, 392,
&end
#
# 26 PHE HA 27 SER HA 5.04 (#peak 739 #SUP 0.97 #QF 0.97)
&rst
ixpk= 739, nxpk= 0, iat= 378, 398, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 25 ALA QB 26 PHE HA 3.91 (#peak 743 #SUP 0.85 #QF 0.85)
&rst
ixpk= 743, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 370, 371, 372,
&end
#
# 26 PHE HA 81 LEU QD1 3.98 (#peak 744 #SUP 0.97 #QF 0.97)
&rst
ixpk= 744, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1268,1269,1270,
&end
#
# 26 PHE HA 40 ILE QD1 5.07 (#peak 747 #SUP 0.92 #QF 0.92)
&rst
ixpk= 747, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 605, 606, 607,
&end
#
# 49 GLY HA2 68 PRO QD 4.47 (#peak 755 #SUP 0.47 #QF 0.47)
&rst
ixpk= 755, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1046,1047,
&end
#
# 7 PRO HD3 35 THR HA 5.45 (#peak 756 #SUP 0.86 #QF 0.53)
&rst
ixpk= 756, nxpk= 0, iat= 94, 526, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 6 VAL QQG 7 PRO HD2 4.00 (#peak 762 #SUP 0.64 #QF 0.64)
&rst
ixpk= 762, nxpk= 0, iat= 79, 93, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 6 VAL QQG 7 PRO HD3 4.00 (#peak 763 #SUP 0.73 #QF 0.73)
&rst
ixpk= 763, nxpk= 0, iat= 79, 94, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 105 HIS HB3 106 ASP H 4.33 (#peak 769 #SUP 0.84 #QF 0.84)
&rst
ixpk= 769, nxpk= 0, iat=1642,1654, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 67 PHE HB2 68 PRO QD 4.34 (#peak 772 #SUP 0.92 #QF 0.92)
&rst
ixpk= 772, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1046,1047,
&end
#
# 67 PHE HA 68 PRO QD 3.51 (#peak 774 #SUP 0.98 #QF 0.98)
&rst
ixpk= 774, nxpk= 0, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1046,1047,
&end
#
# 43 ARG HA 44 PRO HD2 3.40 (#peak 775 #SUP 0.99 #QF 0.99)
&rst
ixpk= 775, nxpk= 0, iat= 642, 665, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 43 ARG HA 44 PRO HD3 3.50 (#peak 776 #SUP 0.99 #QF 0.99)
&rst
ixpk= 776, nxpk= 0, iat= 642, 666, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 GLU HG3 44 PRO HD3 3.96 (#peak 781 #SUP 0.99 #QF 0.52)
&rst
ixpk= 781, nxpk= 0, iat= 633, 666, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 43 ARG QG 44 PRO HD2 4.59 (#peak 786 #SUP 0.93 #QF 0.93)
&rst
ixpk= 786, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 647, 648,
&end
#
# 43 ARG QG 44 PRO HD3 4.52 (#peak 787 #SUP 0.94 #QF 0.94)
&rst
ixpk= 787, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 647, 648,
&end
#
# 47 ARG QB 47 ARG QD 3.20 (#peak 798 #SUP 0.95 #QF 0.95)
&rst
ixpk= 798, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 703, 704,
igr2= 709, 710,
&end
#
# 88 LEU HA 91 ARG HD2 4.15 (#peak 800 #SUP 0.71 #QF 0.71)
&rst
ixpk= 800, nxpk= 0, iat=1370,1435, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 45 SER QB 47 ARG QD 4.35 (#peak 801 #SUP 0.88 #QF 0.88)
&rst
ixpk= 801, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 682, 683,
igr2= 709, 710,
&end
#
# 56 VAL QQG 91 ARG HD2 4.85 (#peak 803 #SUP 0.89 #QF 0.89)
&rst
ixpk= 803, nxpk= 0, iat= 844,1435, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, &end
#
# 88 LEU QD1 91 ARG HD2 5.00 (#peak 805 #SUP 0.74 #QF 0.74)
&rst
ixpk= 805, nxpk= 0, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1377,1378,1379,
&end
#
# 88 LEU QD2 91 ARG HD2 5.00 (#peak 806 #SUP 0.93 #QF 0.93)
&rst
ixpk= 806, nxpk= 0, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1381,1382,1383,
&end
#
# 67 PHE HB3 68 PRO QD 3.80 (#peak 816 #SUP 0.94 #QF 0.94)
&rst
ixpk= 816, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1046,1047,
&end
#
# 67 PHE HB3 69 LEU H 4.60 (#peak 818 #SUP 1.00 #QF 0.99)
&rst
ixpk= 818, nxpk= 0, iat=1030,1059, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 34 TYR HB2 88 LEU HB3 5.50 (#peak 821 #SUP 0.63 #QF 0.63)
&rst
ixpk= 821, nxpk= 0, iat= 507,1373, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 PHE HB2 73 PHE QE 3.92 (#peak 825 #SUP 0.96 #QF 0.61)
&rst
ixpk= 825, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1146,1150,
&end
#
# 67 PHE QD 68 PRO QD 4.49 (#peak 826 #SUP 0.99 #QF 0.99)
&rst
ixpk= 826, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1033,1041,
igr2=1046,1047,
&end
#
# 77 VAL H 77 VAL QG2 3.82 (#peak 830 #SUP 0.99 #QF 0.99)
&rst
ixpk= 830, nxpk= 0, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1217,1218,1219,
&end
#
# 26 PHE H 77 VAL QG2 4.03 (#peak 831 #SUP 0.99 #QF 0.99)
&rst
ixpk= 831, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1217,1218,1219,
&end
#
# 73 PHE QE 77 VAL QG2 4.36 (#peak 837 #SUP 0.79 #QF 0.79)
&rst
ixpk= 837, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1146,1150,
igr2=1217,1218,1219,
&end
#
# 22 PHE HA 77 VAL QG2 4.17 (#peak 847 #SUP 1.00 #QF 0.98)
&rst
ixpk= 847, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1217,1218,1219,
&end
#
# 74 GLU HA 77 VAL QG2 4.29 (#peak 848 #SUP 0.96 #QF 0.96)
&rst
ixpk= 848, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1217,1218,1219,
&end
#
# 77 VAL HA 77 VAL QG2 3.08 (#peak 850 #SUP 0.99 #QF 0.99)
&rst
ixpk= 850, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1217,1218,1219,
&end
#
# 74 GLU QG 77 VAL QG2 4.75 (#peak 854 #SUP 0.88 #QF 0.88)
&rst
ixpk= 854, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1163,1164,
igr2=1217,1218,1219,
&end
#
# 25 ALA QB 77 VAL QG2 2.83 (#peak 857 #SUP 0.98 #QF 0.98)
&rst
ixpk= 857, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 370, 371, 372,
igr2=1217,1218,1219,
&end
#
# 78 VAL HA 78 VAL QG2 3.30 (#peak 869 #SUP 0.97 #QF 0.97)
&rst
ixpk= 869, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1233,1234,1235,
&end
#
# 56 VAL HA 56 VAL QQG 2.80 (#peak 875 #SUP 0.60 #QF 0.60)
&rst
ixpk= 875, nxpk= 0, iat= 843, 844, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 76 THR HA 76 THR QG2 2.91 (#peak 879 #SUP 0.91 #QF 0.91)
&rst
ixpk= 879, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1199,1200,1201,
&end
#
# 64 THR HB 76 THR QG2 4.21 (#peak 881 #SUP 0.97 #QF 0.97)
&rst
ixpk= 881, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1199,1200,1201,
&end
#
# 76 THR QG2 77 VAL HA 3.95 (#peak 882 #SUP 0.99 #QF 0.99)
&rst
ixpk= 882, nxpk= 0, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1199,1200,1201,
&end
#
# 52 ILE HG13 76 THR QG2 4.25 (#peak 888 #SUP 0.72 #QF 0.72)
&rst
ixpk= 888, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1199,1200,1201,
&end
#
# 76 THR QG2 79 ALA QB 3.97 (#peak 892 #SUP 0.64 #QF 0.64)
&rst
ixpk= 892, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1199,1200,1201,
igr2=1243,1244,1245,
&end
#
# 37 ASN H 56 VAL QQG 3.91 (#peak 895 #SUP 0.34 #QF 0.34)
&rst
ixpk= 895, nxpk= 0, iat= 545, 844, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 38 LEU HA 56 VAL QQG 3.52 (#peak 897 #SUP 0.60 #QF 0.60)
&rst
ixpk= 897, nxpk= 0, iat= 561, 844, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 14 THR QG2 23 TYR HB2 3.56 (#peak 901 #SUP 0.92 #QF 0.92)
&rst
ixpk= 901, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 200, 201, 202,
&end
#
# 14 THR QG2 23 TYR HB3 4.30 (#peak 902 #SUP 0.91 #QF 0.91)
&rst
ixpk= 902, nxpk= 0, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 200, 201, 202,
&end
#
# 14 THR QG2 19 GLY HA3 5.00 (#peak 903 #SUP 0.84 #QF 0.84)
&rst
ixpk= 903, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 200, 201, 202,
&end
#
# 14 THR QG2 40 ILE HB 3.71 (#peak 904 #SUP 0.85 #QF 0.69)
&rst
ixpk= 904, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 200, 201, 202,
&end
#
# 14 THR QG2 42 GLU HG3 4.13 (#peak 904 #SUP 0.85 #QF 0.69)
&rst
ixpk= 904, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 200, 201, 202,
&end
#
# 14 THR QG2 40 ILE QG2 2.93 (#peak 905 #SUP 0.85 #QF 0.85)
&rst
ixpk= 905, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 200, 201, 202,
igr2= 598, 599, 600,
&end
#
# 14 THR QG2 52 ILE QD1 3.36 (#peak 906 #SUP 0.89 #QF 0.89)
&rst
ixpk= 906, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 200, 201, 202,
igr2= 788, 789, 790,
&end
#
# 14 THR QG2 19 GLY HA2 5.00 (#peak 907 #SUP 0.68 #QF 0.68)
&rst
ixpk= 907, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 200, 201, 202,
&end
#
# 100 THR HA 100 THR QG2 3.45 (#peak 911 #SUP 0.96 #QF 0.80)
&rst
ixpk= 911, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1581,1582,1583,
&end
#
# 14 THR HA 14 THR QG2 3.27 (#peak 912 #SUP 0.59 #QF 0.59)
&rst
ixpk= 912, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 200, 201, 202,
&end
#
# 35 THR HA 35 THR QG2 3.80 (#peak 913 #SUP 0.97 #QF 0.81)
&rst
ixpk= 913, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 530, 531, 532,
&end
#
# 14 THR QG2 23 TYR QD 3.83 (#peak 914 #SUP 0.94 #QF 0.94)
&rst
ixpk= 914, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 200, 201, 202,
igr2= 329, 338,
&end
#
# 14 THR QG2 42 GLU H 4.00 (#peak 915 #SUP 0.88 #QF 0.88)
&rst
ixpk= 915, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 200, 201, 202,
&end
#
# 13 HIS H 14 THR QG2 3.75 (#peak 917 #SUP 0.88 #QF 0.88)
&rst
ixpk= 917, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 200, 201, 202,
&end
#
# 14 THR QG2 23 TYR H 5 (#peak 918 #SUP 0.89 #QF 0.89)
&rst
ixpk= 918, nxpk= 0, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 200, 201, 202,
&end
#
# 14 THR QG2 52 ILE HA 4.53 (#peak 921 #SUP 0.74 #QF 0.74)
&rst
ixpk= 921, nxpk= 0, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 200, 201, 202,
&end
#
# 14 THR QG2 42 GLU HA 4.44 (#peak 922 #SUP 0.89 #QF 0.89)
&rst
ixpk= 922, nxpk= 0, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 200, 201, 202,
&end
#
# 14 THR QG2 22 PHE QD 4.12 (#peak 923 #SUP 0.83 #QF 0.83)
&rst
ixpk= 923, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 200, 201, 202,
igr2= 309, 317,
&end
#
# 14 THR QG2 22 PHE HB3 4.23 (#peak 924 #SUP 0.69 #QF 0.69)
&rst
ixpk= 924, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 200, 201, 202,
&end
#
# 14 THR QG2 23 TYR HA 4.43 (#peak 925 #SUP 0.81 #QF 0.81)
&rst
ixpk= 925, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 200, 201, 202,
&end
#
# 73 PHE HB2 76 THR QG2 5.50 (#peak 932 #SUP 0.70 #QF 0.60)
&rst
ixpk= 932, nxpk= 0, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1199,1200,1201,
&end
#
# 22 PHE HB2 76 THR QG2 5.50 (#peak 933 #SUP 0.59 #QF 0.59)
&rst
ixpk= 933, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1199,1200,1201,
&end
#
# 76 THR QG2 80 ALA HA 5.50 (#peak 934 #SUP 0.98 #QF 0.29)
&rst
ixpk= 934, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1199,1200,1201,
&end
#
# 22 PHE QE 76 THR QG2 3.12 (#peak 937 #SUP 0.66 #QF 0.66)
&rst
ixpk= 937, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 311, 315,
igr2=1199,1200,1201,
&end
#
# 62 PHE QE 76 THR QG2 3.89 (#peak 938 #SUP 0.90 #QF 0.90)
&rst
ixpk= 938, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 945, 949,
igr2=1199,1200,1201,
&end
#
# 62 PHE HZ 76 THR QG2 3.85 (#peak 939 #SUP 0.53 #QF 0.53)
&rst
ixpk= 939, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1199,1200,1201,
&end
#
# 76 THR QG2 77 VAL H 3.64 (#peak 942 #SUP 0.61 #QF 0.61)
&rst
ixpk= 942, nxpk= 0, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1199,1200,1201,
&end
#
# 76 THR QG2 80 ALA H 4.82 (#peak 943 #SUP 0.93 #QF 0.93)
&rst
ixpk= 943, nxpk= 0, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1199,1200,1201,
&end
#
# 67 PHE H 76 THR QG2 4.99 (#peak 946 #SUP 0.62 #QF 0.62)
&rst
ixpk= 946, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1199,1200,1201,
&end
#
# 66 LEU H 76 THR QG2 5.01 (#peak 947 #SUP 0.79 #QF 0.79)
&rst
ixpk= 947, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1199,1200,1201,
&end
#
# 76 THR QG2 78 VAL H 5.50 (#peak 948 #SUP 0.94 #QF 0.94)
&rst
ixpk= 948, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1199,1200,1201,
&end
#
# 88 LEU H 88 LEU QD2 4.12 (#peak 950 #SUP 1.00)
&rst
ixpk= 950, nxpk= 0, iat=1368, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1381,1382,1383,
&end
#
# 34 TYR QD 88 LEU QD2 5.00 (#peak 951 #SUP 0.97 #QF 0.21)
&rst
ixpk= 951, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 511, 520,
igr2=1381,1382,1383,
&end
#
# 34 TYR QE 88 LEU QD2 5.00 (#peak 953 #SUP 0.98 #QF 0.98)
&rst
ixpk= 953, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 513, 518,
igr2=1381,1382,1383,
&end
#
# 90 ARG H 88 LEU QD2 5.50 (#peak 955 #SUP 0.98 #QF 0.98)
&rst
ixpk= 955, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1381,1382,1383,
&end
#
# 85 GLU HA 88 LEU QD2 4.61 (#peak 958 #SUP 0.90 #QF 0.90)
&rst
ixpk= 958, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1381,1382,1383,
&end
#
# 88 LEU QD2 91 ARG HD3 4.55 (#peak 962 #SUP 0.95 #QF 0.95)
&rst
ixpk= 962, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1381,1382,1383,
&end
#
# 88 LEU HB3 88 LEU QD2 3.18 (#peak 967 #SUP 1.00)
&rst
ixpk= 967, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1381,1382,1383,
&end
#
# 88 LEU HB2 88 LEU QD2 3.24 (#peak 972 #SUP 0.94 #QF 0.94)
&rst
ixpk= 972, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1381,1382,1383,
&end
#
# 56 VAL QQG 88 LEU QD2 3.26 (#peak 975 #SUP 0.98 #QF 0.96)
&rst
ixpk= 975, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1381,1382,1383,
&end
#
# 53 THR QG2 63 GLN QB 3.07 (#peak 981 #SUP 0.63 #QF 0.63)
&rst
ixpk= 981, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 800, 801, 802,
igr2= 959, 960,
&end
#
# 78 VAL QG1 81 LEU QD1 4.16 (#peak 983 #SUP 0.97 #QF 0.97)
&rst
ixpk= 983, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1229,1230,1231,
igr2=1268,1269,1270,
&end
#
# 75 LYS HA 78 VAL QG1 4.66 (#peak 987 #SUP 0.97 #QF 0.97)
&rst
ixpk= 987, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1229,1230,1231,
&end
#
# 81 LEU HB2 81 LEU QD2 3.24 (#peak 991 #SUP 1.00)
&rst
ixpk= 991, nxpk= 0, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1272,1273,1274,
&end
#
# 81 LEU HB3 81 LEU QD2 3.22 (#peak 993 #SUP 1.00 #QF 0.42)
&rst
ixpk= 993, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1272,1273,1274,
&end
#
# 53 THR QG2 63 GLN HE21 3.86 (#peak 998 #SUP 0.67 #QF 0.67)
&rst
ixpk= 998, nxpk= 0, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 800, 801, 802,
&end
#
# 53 THR QG2 60 VAL HA 4.06 (#peak 1000 #SUP 0.80 #QF 0.40)
&rst
ixpk= 1000, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 800, 801, 802,
&end
#
# 53 THR QG2 62 PHE H 4.21 (#peak 1007 #SUP 0.53 #QF 0.53)
&rst
ixpk= 1007, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 800, 801, 802,
&end
#
# 53 THR QG2 54 ILE H 3.83 (#peak 1008 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1008, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 800, 801, 802,
&end
#
# 53 THR QG2 64 THR H 5.33 (#peak 1012 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1012, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 800, 801, 802,
&end
#
# 51 TRP HE3 53 THR QG2 5.37 (#peak 1014 #SUP 0.82 #QF 0.25)
&rst
ixpk= 1014, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 800, 801, 802,
&end
#
# 75 LYS HA 78 VAL HB 4.35 (#peak 1024 #SUP 1.00)
&rst
ixpk= 1024, nxpk= 0, iat=1173,1227, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 74 GLU HA 77 VAL HB 3.62 (#peak 1028 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1028, nxpk= 0, iat=1158,1211, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 77 VAL HB 79 ALA H 5.50 (#peak 1030 #SUP 0.59 #QF 0.59)
&rst
ixpk= 1030, nxpk= 0, iat=1211,1239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ASP HB3 73 PHE QE 4.10 (#peak 1048 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1048, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1146,1150,
&end
#
# 21 ASP HB3 73 PHE HZ 4.16 (#peak 1049 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1049, nxpk= 0, iat= 294,1148, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 21 ASP HB2 73 PHE QE 4.15 (#peak 1050 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1050, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1146,1150,
&end
#
# 18 ILE HA 21 ASP HB2 3.74 (#peak 1054 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1054, nxpk= 0, iat= 248, 293, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 21 ASP HB3 22 PHE HA 4.5 (#peak 1055 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1055, nxpk= 0, iat= 294, 303, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 GLU H 107 GLU HB2 3.59 (#peak 1063 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1063, nxpk= 0, iat=1666,1670, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 74 GLU HB2 75 LYS H 3.65 (#peak 1069 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1069, nxpk= 0, iat=1160,1171, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 73 PHE QD 74 GLU HB2 4.51 (#peak 1070 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1070, nxpk= 0, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1144,1152,
&end
#
# 73 PHE QD 74 GLU HB3 4.83 (#peak 1071 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1071, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1144,1152,
&end
#
# 74 GLU HB2 74 GLU QG 2.74 (#peak 1078 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1078, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2=1163,1164,
&end
#
# 74 GLU HB2 75 LYS QE 5.17 (#peak 1085 #SUP 0.91 #QF 0.68)
&rst
ixpk= 1085, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1184,1185,
&end
#
# 73 PHE HB3 74 GLU HB3 5.50 (#peak 1086 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1086, nxpk= 0, iat=1141,1161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 PHE HB3 74 GLU HB2 4.48 (#peak 1087 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1087, nxpk= 0, iat=1141,1160, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 18 ILE HG13 73 PHE QE 5.50 (#peak 1090 #SUP 1.00)
&rst
ixpk= 1090, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1146,1150,
&end
#
# 18 ILE HA 18 ILE HG12 3.85 (#peak 1092 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1092, nxpk= 0, iat= 248, 256, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 91 ARG HA 91 ARG HG2 3.57 (#peak 1105 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1105, nxpk= 0, iat=1427,1432, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 91 ARG H 91 ARG HG2 4 (#peak 1106 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1106, nxpk= 0, iat=1425,1432, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 92 GLN H 92 GLN HG3 3.74 (#peak 1108 #SUP 0.96 #QF 0.84)
&rst
ixpk= 1108, nxpk= 0, iat=1449,1457, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 92 GLN H 92 GLN HG2 3.37 (#peak 1109 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1109, nxpk= 0, iat=1449,1456, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 95 GLN HA 95 GLN HG3 3.51 (#peak 1120 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1120, nxpk= 0, iat=1501,1507, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 95 GLN HA 95 GLN HG2 3.51 (#peak 1121 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1121, nxpk= 0, iat=1501,1506, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 92 GLN HA 92 GLN HG2 4.20 (#peak 1122 #SUP 0.93 #QF 0.89)
&rst
ixpk= 1122, nxpk= 0, iat=1451,1456, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 92 GLN QB 92 GLN HG2 2.78 (#peak 1126 #SUP 0.70 #QF 0.70)
&rst
ixpk= 1126, nxpk= 0, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1=1453,1454,
&end
#
# 92 GLN QB 92 GLN HG3 2.79 (#peak 1127 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1127, nxpk= 0, iat= -1,1457, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr1=1453,1454,
&end
#
# 29 LYS QG 81 LEU QD1 3.44 (#peak 1140 #SUP 0.99 #QF 0.65)
&rst
ixpk= 1140, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 426, 427,
igr2=1268,1269,1270,
&end
#
# 81 LEU HB3 81 LEU QD1 3.65 (#peak 1140 #SUP 0.99 #QF 0.65)
&rst
ixpk= 1140, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1268,1269,1270,
&end
#
# 78 VAL QG2 81 LEU QD1 4.16 (#peak 1143 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1143, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1233,1234,1235,
igr2=1268,1269,1270,
&end
#
# 29 LYS HB2 81 LEU QD1 3.70 (#peak 1144 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1144, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1268,1269,1270,
&end
#
# 81 LEU HB2 81 LEU QD1 3.21 (#peak 1145 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1145, nxpk= 0, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1268,1269,1270,
&end
#
# 78 VAL HA 81 LEU QD1 3.16 (#peak 1146 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1146, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1268,1269,1270,
&end
#
# 29 LYS QE 81 LEU QD1 4.29 (#peak 1147 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1147, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 432, 433,
igr2=1268,1269,1270,
&end
#
# 81 LEU HA 81 LEU QD1 4.10 (#peak 1148 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1148, nxpk= 0, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1268,1269,1270,
&end
#
# 81 LEU QD1 82 ILE H 4.44 (#peak 1151 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1151, nxpk= 0, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1268,1269,1270,
&end
#
# 78 VAL H 81 LEU QD1 4.58 (#peak 1152 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1152, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1268,1269,1270,
&end
#
# 30 TRP H 81 LEU QD1 4.60 (#peak 1153 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1153, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1268,1269,1270,
&end
#
# 30 TRP HZ3 81 LEU QD1 5.50 (#peak 1154 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1154, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1268,1269,1270,
&end
#
# 26 PHE QD 81 LEU QD1 5 (#peak 1156 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1156, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 384, 392,
igr2=1268,1269,1270,
&end
#
# 29 LYS HA 81 LEU QD1 4.29 (#peak 1158 #SUP 0.71 #QF 0.71)
&rst
ixpk= 1158, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1268,1269,1270,
&end
#
# 30 TRP HA 81 LEU QD1 4.53 (#peak 1159 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1159, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1268,1269,1270,
&end
#
# 61 ILE QG2 88 LEU HB2 5.50 (#peak 1174 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1174, nxpk= 0, iat= -1,1372, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 922, 923, 924,
&end
#
# 56 VAL QQG 88 LEU HB2 5.50 (#peak 1175 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1175, nxpk= 0, iat= 844,1372, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 61 ILE QG2 88 LEU HB3 5.50 (#peak 1180 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1180, nxpk= 0, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 922, 923, 924,
&end
#
# 56 VAL QQG 88 LEU HB3 5.50 (#peak 1181 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1181, nxpk= 0, iat= 844,1373, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 88 LEU HB2 91 ARG HD3 5 (#peak 1185 #SUP 1.00 #QF 0.57)
&rst
ixpk= 1185, nxpk= 0, iat=1372,1436, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 LEU HB3 91 ARG HD3 4.77 (#peak 1186 #SUP 0.98 #QF 0.25)
&rst
ixpk= 1186, nxpk= 0, iat=1373,1436, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 88 LEU HB2 89 ASN HA 5.50 (#peak 5000 #SUP 0.99 #QF 0.99)
&rst
ixpk= 5000, nxpk= 0, iat=1372,1389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 LEU HB2 34 TYR QE 5.50 (#peak 1188 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1188, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 513, 518,
&end
#
# 88 LEU HB3 89 ASN H 4.60 (#peak 1190 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1190, nxpk= 0, iat=1373,1387, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 78 VAL HA 81 LEU HB2 4.27 (#peak 1205 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1205, nxpk= 0, iat=1225,1263, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 78 VAL HA 81 LEU HB3 5.30 (#peak 1206 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1206, nxpk= 0, iat=1225,1264, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 81 LEU HB2 82 ILE H 4.12 (#peak 1213 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1213, nxpk= 0, iat=1263,1278, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 9 LEU QB 37 ASN HA 4.39 (#peak 1235 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1235, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 117, 118,
&end
#
# 9 LEU QB 10 LEU H 4.84 (#peak 1237 #SUP 0.98 #QF 0.26)
&rst
ixpk= 1237, nxpk= 0, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 117, 118,
&end
#
# 9 LEU QB 9 LEU QD2 3.21 (#peak 1239 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1239, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 117, 118,
igr2= 126, 127, 128,
&end
#
# 10 LEU HB3 39 THR HA 4.66 (#peak 1241 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1241, nxpk= 0, iat= 137, 580, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 9 LEU HA 10 LEU HB2 5.06 (#peak 1243 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1243, nxpk= 0, iat= 115, 136, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 50 SER HB3 66 LEU HB3 5.50 (#peak 1246 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1246, nxpk= 0, iat= 745,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 LEU HB3 40 ILE QD1 4.44 (#peak 1254 #SUP 0.95 #QF 0.42)
&rst
ixpk= 1254, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 605, 606, 607,
&end
#
# 10 LEU HB2 23 TYR QE 4.09 (#peak 1258 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1258, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 331, 336,
&end
#
# 38 LEU HA 38 LEU QD2 4.28 (#peak 1262 #SUP 0.99 #QF 0.56)
&rst
ixpk= 1262, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 572, 573, 574,
&end
#
# 38 LEU HA 38 LEU QD1 4.28 (#peak 1263 #SUP 1.00)
&rst
ixpk= 1263, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 568, 569, 570,
&end
#
# 26 PHE HZ 38 LEU QD2 4 (#peak 1266 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1266, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 572, 573, 574,
&end
#
# 26 PHE HZ 38 LEU QD1 3.69 (#peak 1267 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1267, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 568, 569, 570,
&end
#
# 26 PHE QE 38 LEU QD1 4.31 (#peak 1268 #SUP 0.97 #QF 0.26)
&rst
ixpk= 1268, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 386, 390,
igr2= 568, 569, 570,
&end
#
# 30 TRP HH2 38 LEU QD1 4.87 (#peak 1273 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1273, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 568, 569, 570,
&end
#
# 30 TRP HZ2 38 LEU QD1 3.67 (#peak 1274 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1274, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 568, 569, 570,
&end
#
# 30 TRP HZ2 38 LEU QD2 3.67 (#peak 1275 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1275, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 572, 573, 574,
&end
#
# 38 LEU H 38 LEU QD1 4.40 (#peak 1278 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1278, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 568, 569, 570,
&end
#
# 38 LEU H 38 LEU QD2 4.40 (#peak 1279 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1279, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 572, 573, 574,
&end
#
# 38 LEU QD2 39 THR H 4.69 (#peak 1280 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1280, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 572, 573, 574,
&end
#
# 38 LEU QD1 39 THR H 4.69 (#peak 1281 #SUP 1.00)
&rst
ixpk= 1281, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 568, 569, 570,
&end
#
# 38 LEU HB3 38 LEU QD2 3.27 (#peak 1287 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1287, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 572, 573, 574,
&end
#
# 38 LEU HB3 38 LEU QD1 3.27 (#peak 1288 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1288, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 568, 569, 570,
&end
#
# 10 LEU QD1 11 THR H 5.46 (#peak 1316 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1316, nxpk= 0, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 141, 142, 143,
&end
#
# 10 LEU QD2 30 TRP HE1 4.90 (#peak 1317 #SUP 1.00)
&rst
ixpk= 1317, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 145, 146, 147,
&end
#
# 10 LEU QD1 30 TRP HD1 3.41 (#peak 1322 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1322, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 141, 142, 143,
&end
#
# 10 LEU QD2 23 TYR QD 4.49 (#peak 1323 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1323, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 145, 146, 147,
igr2= 329, 338,
&end
#
# 10 LEU QD1 23 TYR QD 5.34 (#peak 1324 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1324, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 141, 142, 143,
igr2= 329, 338,
&end
#
# 10 LEU QD2 23 TYR QE 3.74 (#peak 1325 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1325, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 145, 146, 147,
igr2= 331, 336,
&end
#
# 10 LEU QD1 23 TYR QE 4.65 (#peak 1326 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1326, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 141, 142, 143,
igr2= 331, 336,
&end
#
# 10 LEU QD1 26 PHE QE 3.36 (#peak 1327 #SUP 0.90 #QF 0.66)
&rst
ixpk= 1327, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 141, 142, 143,
igr2= 386, 390,
&end
#
# 10 LEU QD2 26 PHE QE 3.47 (#peak 1328 #SUP 0.96 #QF 0.81)
&rst
ixpk= 1328, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 145, 146, 147,
igr2= 386, 390,
&end
#
# 66 LEU QD1 67 PHE H 4.68 (#peak 1330 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1330, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1015,1016,1017,
&end
#
# 10 LEU QD2 26 PHE HZ 3.94 (#peak 1332 #SUP 0.57 #QF 0.57)
&rst
ixpk= 1332, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 145, 146, 147,
&end
#
# 10 LEU HA 10 LEU QD1 3.87 (#peak 1336 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1336, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 141, 142, 143,
&end
#
# 10 LEU HA 10 LEU QD2 3.23 (#peak 1337 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1337, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 145, 146, 147,
&end
#
# 54 ILE QG2 62 PHE HB2 4.60 (#peak 1338 #SUP 0.98 #QF 0.88)
&rst
ixpk= 1338, nxpk= 0, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 814, 815, 816,
&end
#
# 54 ILE QG2 62 PHE HB3 4.74 (#peak 1340 #SUP 0.99 #QF 0.89)
&rst
ixpk= 1340, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 814, 815, 816,
&end
#
# 54 ILE QD1 62 PHE HB2 5.45 (#peak 1341 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1341, nxpk= 0, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 821, 822, 823,
&end
#
# 61 ILE QG2 62 PHE HB3 5.5 (#peak 1344 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1344, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 922, 923, 924,
&end
#
# 61 ILE QG2 62 PHE HB2 5.41 (#peak 1345 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1345, nxpk= 0, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 922, 923, 924,
&end
#
# 54 ILE QG1 62 PHE HB3 4.86 (#peak 1347 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1347, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 818, 819,
&end
#
# 10 LEU QD2 27 SER HA 3.80 (#peak 1348 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1348, nxpk= 0, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 145, 146, 147,
&end
#
# 10 LEU QD2 27 SER HB2 4.46 (#peak 1350 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1350, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 145, 146, 147,
&end
#
# 10 LEU QD1 27 SER HB2 3.59 (#peak 1351 #SUP 1.00 #QF 0.76)
&rst
ixpk= 1351, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 141, 142, 143,
&end
#
# 10 LEU QD1 27 SER HB3 3.59 (#peak 1352 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1352, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 141, 142, 143,
&end
#
# 10 LEU QD2 30 TRP HB2 5.11 (#peak 1354 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1354, nxpk= 0, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 145, 146, 147,
&end
#
# 10 LEU QD1 30 TRP HB2 3.83 (#peak 1355 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1355, nxpk= 0, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 141, 142, 143,
&end
#
# 10 LEU QD1 30 TRP HB3 3.83 (#peak 1356 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1356, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 141, 142, 143,
&end
#
# 10 LEU QD2 30 TRP HB3 5.11 (#peak 1357 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1357, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 145, 146, 147,
&end
#
# 10 LEU HB3 10 LEU QD2 3.10 (#peak 1360 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1360, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 145, 146, 147,
&end
#
# 10 LEU HB2 10 LEU QD2 3.43 (#peak 1361 #SUP 1.00)
&rst
ixpk= 1361, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 145, 146, 147,
&end
#
# 10 LEU HB2 10 LEU QD1 3.07 (#peak 1362 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1362, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 141, 142, 143,
&end
#
# 88 LEU HA 88 LEU HG 4.13 (#peak 1368 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1368, nxpk= 0, iat=1370,1375, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 87 ALA H 88 LEU HG 4.76 (#peak 1371 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1371, nxpk= 0, iat=1358,1375, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 56 VAL QQG 88 LEU HG 4.73 (#peak 1372 #SUP 0.98 #QF 0.96)
&rst
ixpk= 1372, nxpk= 0, iat= 844,1375, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, &end
#
# 84 THR QG2 88 LEU HG 5.35 (#peak 1372 #SUP 0.98 #QF 0.96)
&rst
ixpk= 1372, nxpk= 0, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1320,1321,1322,
&end
#
# 61 ILE QG2 88 LEU HG 4.97 (#peak 1373 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1373, nxpk= 0, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 922, 923, 924,
&end
#
# 77 VAL HA 77 VAL QG1 3.08 (#peak 1374 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1374, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1213,1214,1215,
&end
#
# 9 LEU HA 9 LEU QD1 4.22 (#peak 1376 #SUP 1.00)
&rst
ixpk= 1376, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 122, 123, 124,
&end
#
# 53 THR HA 53 THR QG2 3.10 (#peak 1377 #SUP 0.71 #QF 0.71)
&rst
ixpk= 1377, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 800, 801, 802,
&end
#
# 9 LEU QB 9 LEU QD1 3.21 (#peak 1380 #SUP 0.97 #QF 0.92)
&rst
ixpk= 1380, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 117, 118,
igr2= 122, 123, 124,
&end
#
# 9 LEU H 9 LEU QD2 4.28 (#peak 1385 #SUP 0.98 #QF 0.97)
&rst
ixpk= 1385, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 126, 127, 128,
&end
#
# 10 LEU HA 10 LEU HG 3.67 (#peak 1401 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1401, nxpk= 0, iat= 134, 139, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 10 LEU HB2 10 LEU HG 2.94 (#peak 1405 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1405, nxpk= 0, iat= 136, 139, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 10 LEU HG 39 THR HA 4.32 (#peak 1407 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1407, nxpk= 0, iat= 139, 580, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 9 LEU H 10 LEU HG 4.68 (#peak 1408 #SUP 0.68 #QF 0.68)
&rst
ixpk= 1408, nxpk= 0, iat= 113, 139, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 10 LEU HG 23 TYR QE 4.94 (#peak 1411 #SUP 1.00)
&rst
ixpk= 1411, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 331, 336,
&end
#
# 91 ARG HA 91 ARG HG3 3.45 (#peak 1419 #SUP 0.55 #QF 0.55)
&rst
ixpk= 1419, nxpk= 0, iat=1427,1433, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 90 ARG H 91 ARG HG3 4 (#peak 1421 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1421, nxpk= 0, iat=1401,1433, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 91 ARG QB 91 ARG HD3 3.76 (#peak 1426 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1426, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1429,1430,
&end
#
# 24 ARG QB 24 ARG HG2 3.00 (#peak 1428 #SUP 0.99 #QF 0.63)
&rst
ixpk= 1428, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 346, 347,
&end
#
# 91 ARG QB 92 GLN QB 3.76 (#peak 1429 #SUP 0.49 #QF 0.49)
&rst
ixpk= 1429, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1429,1430,
igr2=1453,1454,
&end
#
# 5 GLU H 5 GLU HB2 3.72 (#peak 1435 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1435, nxpk= 0, iat= 61, 65, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 56 VAL QQG 91 ARG HD3 4.72 (#peak 1450 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1450, nxpk= 0, iat= 844,1436, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, &end
#
# 88 LEU HA 91 ARG HD3 4.17 (#peak 1453 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1453, nxpk= 0, iat=1370,1436, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 91 ARG HA 91 ARG HD2 4.93 (#peak 1454 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1454, nxpk= 0, iat=1427,1435, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 91 ARG HA 91 ARG HD3 4.63 (#peak 1455 #SUP 1.00)
&rst
ixpk= 1455, nxpk= 0, iat=1427,1436, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 45 SER HA 47 ARG QD 4.58 (#peak 1458 #SUP 0.38 #QF 0.38)
&rst
ixpk= 1458, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 709, 710,
&end
#
# 91 ARG QB 91 ARG HD2 3.56 (#peak 1461 #SUP 1.00)
&rst
ixpk= 1461, nxpk= 0, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1429,1430,
&end
#
# 89 ASN H 91 ARG HD2 5.50 (#peak 1472 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1472, nxpk= 0, iat=1387,1435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 LEU HA 91 ARG HG3 4.34 (#peak 1499 #SUP 0.99 #QF 0.77)
&rst
ixpk= 1499, nxpk= 0, iat=1370,1433, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 88 LEU HA 91 ARG HG2 5.00 (#peak 1500 #SUP 1.00 #QF 0.61)
&rst
ixpk= 1500, nxpk= 0, iat=1370,1432, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 LEU HA 91 ARG QB 4.32 (#peak 1501 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1501, nxpk= 0, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1429,1430,
&end
#
# 34 TYR QD 88 LEU QD1 4.55 (#peak 1507 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1507, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 511, 520,
igr2=1377,1378,1379,
&end
#
# 88 LEU HA 88 LEU QD1 4.29 (#peak 1508 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1508, nxpk= 0, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1377,1378,1379,
&end
#
# 34 TYR QE 88 LEU QD1 3.88 (#peak 1511 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1511, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 513, 518,
igr2=1377,1378,1379,
&end
#
# 85 GLU HA 88 LEU QD1 4.61 (#peak 1513 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1513, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1377,1378,1379,
&end
#
# 88 LEU QD1 91 ARG HD3 4.55 (#peak 1518 #SUP 0.93 #QF 0.87)
&rst
ixpk= 1518, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1377,1378,1379,
&end
#
# 88 LEU HB3 88 LEU QD1 3.18 (#peak 1519 #SUP 1.00)
&rst
ixpk= 1519, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1377,1378,1379,
&end
#
# 88 LEU HB2 88 LEU QD1 3.24 (#peak 1521 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1521, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1377,1378,1379,
&end
#
# 56 VAL QQG 88 LEU QD1 3.26 (#peak 1522 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1522, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1377,1378,1379,
&end
#
# 66 LEU QD1 73 PHE QD 3.69 (#peak 1526 #SUP 0.90 #QF 0.77)
&rst
ixpk= 1526, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1015,1016,1017,
igr2=1144,1152,
&end
#
# 97 LEU H 97 LEU QD1 4.22 (#peak 1529 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1529, nxpk= 0, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1535,1536,1537,
&end
#
# 97 LEU HA 97 LEU QD1 4.14 (#peak 1530 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1530, nxpk= 0, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1535,1536,1537,
&end
#
# 97 LEU H 97 LEU HG 3.04 (#peak 1533 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1533, nxpk= 0, iat=1526,1533, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 97 LEU HA 97 LEU HG 3.70 (#peak 1534 #SUP 1.00)
&rst
ixpk= 1534, nxpk= 0, iat=1528,1533, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 103 LEU HB2 103 LEU QD1 3.92 (#peak 1546 #SUP 1.00)
&rst
ixpk= 1546, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1617,1618,1619,
&end
#
# 94 ASN HA 97 LEU HB2 5.16 (#peak 1548 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1548, nxpk= 0, iat=1487,1530, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 94 ASN HA 97 LEU HB3 5.16 (#peak 1549 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1549, nxpk= 0, iat=1487,1531, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 98 LEU HA 98 LEU HG 3.67 (#peak 1556 #SUP 0.64 #QF 0.64)
&rst
ixpk= 1556, nxpk= 0, iat=1547,1552, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 103 LEU HB2 103 LEU QD2 3.92 (#peak 1565 #SUP 0.98 #QF 0.86)
&rst
ixpk= 1565, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1621,1622,1623,
&end
#
# 97 LEU HA 97 LEU QD2 4.14 (#peak 1572 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1572, nxpk= 0, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1539,1540,1541,
&end
#
# 103 LEU QD2 107 GLU HG2 5.79 (#peak 1578 #SUP 0.54 #QF 0.54)
&rst
ixpk= 1578, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1=1621,1622,1623,
&end
#
# 78 VAL H 78 VAL QG1 3.86 (#peak 1591 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1591, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1229,1230,1231,
&end
#
# 103 LEU HA 103 LEU HG 3.81 (#peak 1594 #SUP 0.56 #QF 0.56)
&rst
ixpk= 1594, nxpk= 0, iat=1610,1615, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 103 LEU HB3 103 LEU QD2 3.92 (#peak 1610 #SUP 0.99 #QF 0.96)
&rst
ixpk= 1610, nxpk= 0, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1621,1622,1623,
&end
#
# 103 LEU HB3 103 LEU QD1 3.92 (#peak 1614 #SUP 0.99 #QF 0.92)
&rst
ixpk= 1614, nxpk= 0, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1617,1618,1619,
&end
#
# 99 SER H 99 SER HB3 4.13 (#peak 1646 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1646, nxpk= 0, iat=1564,1569, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 99 SER H 99 SER HB2 4.13 (#peak 1647 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1647, nxpk= 0, iat=1564,1568, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 4 VAL HA 4 VAL QQG 4.00 (#peak 1681 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1681, nxpk= 0, iat= 47, 48, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 23 TYR HA 26 PHE HB3 4.66 (#peak 1697 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1697, nxpk= 0, iat= 323, 381, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 23 TYR HA 26 PHE HB2 4.70 (#peak 1698 #SUP 0.70 #QF 0.70)
&rst
ixpk= 1698, nxpk= 0, iat= 323, 380, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 10 LEU QD2 23 TYR HA 4.56 (#peak 1700 #SUP 0.43 #QF 0.43)
&rst
ixpk= 1700, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 145, 146, 147,
&end
#
# 22 PHE QD 23 TYR HA 4.25 (#peak 1702 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1702, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 309, 317,
&end
#
# 23 TYR HA 23 TYR QD 4.14 (#peak 1703 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1703, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 329, 338,
&end
#
# 23 TYR HA 27 SER H 5.24 (#peak 1704 #SUP 1.00 #QF 0.93)
&rst
ixpk= 1704, nxpk= 0, iat= 323, 396, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 55 THR HA 60 VAL HA 4.14 (#peak 1710 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1710, nxpk= 0, iat= 829, 902, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 55 THR QG2 60 VAL HA 3.46 (#peak 1712 #SUP 0.98 #QF 0.67)
&rst
ixpk= 1712, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 833, 834, 835,
&end
#
# 60 VAL HA 61 ILE HG12 4.75 (#peak 1714 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1714, nxpk= 0, iat= 902, 926, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 11 THR HA 39 THR HA 5.50 (#peak 1717 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1717, nxpk= 0, iat= 153, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 THR HA 11 THR QG2 4.08 (#peak 1719 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1719, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 157, 158, 159,
&end
#
# 32 SER H 32 SER HB3 3.97 (#peak 1727 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1727, nxpk= 0, iat= 480, 485, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 32 SER H 32 SER HB2 3.97 (#peak 1728 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1728, nxpk= 0, iat= 480, 484, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 14 THR HB 20 HIS HB2 5.33 (#peak 1742 #SUP 0.81 #QF 0.71)
&rst
ixpk= 1742, nxpk= 0, iat= 198, 276, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 14 THR HB 23 TYR HB3 5.50 (#peak 1742 #SUP 0.81 #QF 0.71)
&rst
ixpk= 1742, nxpk= 0, iat= 198, 326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 THR HB 42 GLU HB3 4.66 (#peak 1744 #SUP 0.54 #QF 0.54)
&rst
ixpk= 1744, nxpk= 0, iat= 198, 630, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 14 THR HB 20 HIS HA 4.11 (#peak 1745 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1745, nxpk= 0, iat= 198, 274, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 90 ARG HA 90 ARG QD 3.90 (#peak 1749 #SUP 0.71 #QF 0.71)
&rst
ixpk= 1749, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1411,1412,
&end
#
# 23 TYR QD 24 ARG QD 4.66 (#peak 1755 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1755, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 329, 338,
igr2= 352, 353,
&end
#
# 90 ARG QB 90 ARG QD 3.30 (#peak 1758 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1758, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1405,1406,
igr2=1411,1412,
&end
#
# 24 ARG QB 24 ARG QD 3.39 (#peak 1760 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1760, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 346, 347,
igr2= 352, 353,
&end
#
# 102 ASP HB2 103 LEU H 3.73 (#peak 1769 #SUP 0.90 #QF 0.69)
&rst
ixpk= 1769, nxpk= 0, iat=1600,1608, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 56 VAL QQG 59 ASP HB3 4.96 (#peak 1777 #SUP 0.46 #QF 0.46)
&rst
ixpk= 1777, nxpk= 0, iat= 844, 893, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, &end
#
# 28 ASP HB3 29 LYS QD 4.41 (#peak 1780 #SUP 0.60 #QF 0.60)
&rst
ixpk= 1780, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 429, 430,
&end
#
# 9 LEU QD2 38 LEU H 4.77 (#peak 1786 #SUP 0.66 #QF 0.66)
&rst
ixpk= 1786, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 126, 127, 128,
&end
#
# 53 THR QG2 60 VAL HB 3.37 (#peak 1804 #SUP 0.50 #QF 0.22)
&rst
ixpk= 1804, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 800, 801, 802,
&end
#
# 10 LEU QD1 27 SER HA 3.09 (#peak 1807 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1807, nxpk= 0, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr1= 141, 142, 143,
&end
#
# 103 LEU QD1 104 ALA H 4.24 (#peak 1808 #SUP 0.72 #QF 0.72)
&rst
ixpk= 1808, nxpk= 0, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1617,1618,1619,
&end
#
# 9 LEU HA 9 LEU QD2 4.22 (#peak 1877 #SUP 0.45 #QF 0.45)
&rst
ixpk= 1877, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 126, 127, 128,
&end
#
# 9 LEU QD1 37 ASN HB2 6.04 (#peak 1934 #SUP 0.67 #QF 0.67)
&rst
ixpk= 1934, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 122, 123, 124,
&end
#
# 9 LEU QD2 37 ASN HB3 6.04 (#peak 1943 #SUP 0.61 #QF 0.33)
&rst
ixpk= 1943, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 126, 127, 128,
&end
#
# 103 LEU QD1 107 GLU HG2 5.79 (#peak 1956 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1956, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1=1617,1618,1619,
&end
#
# 103 LEU QD1 107 GLU HG3 5.79 (#peak 1957 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1957, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1=1617,1618,1619,
&end
#
# 98 LEU HG 99 SER HA 5.32 (#peak 1977 #SUP 0.70 #QF 0.70)
&rst
ixpk= 1977, nxpk= 0, iat=1552,1566, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 60 VAL HA 61 ILE HG13 4.65 (#peak 2008 #SUP 1.00)
&rst
ixpk= 2008, nxpk= 0, iat= 902, 927, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 61 ILE HG13 62 PHE HB3 4.74 (#peak 2011 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2011, nxpk= 0, iat= 927, 940, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 61 ILE HG12 62 PHE HB3 5.27 (#peak 2012 #SUP 0.78 #QF 0.78)
&rst
ixpk= 2012, nxpk= 0, iat= 926, 940, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 61 ILE QG2 61 ILE HG12 3.75 (#peak 2016 #SUP 1.00)
&rst
ixpk= 2016, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 922, 923, 924,
&end
#
# 56 VAL QQG 61 ILE HG12 3.87 (#peak 2017 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2017, nxpk= 0, iat= 844, 926, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 56 VAL QQG 61 ILE HG13 3.99 (#peak 2018 #SUP 0.98 #QF 0.95)
&rst
ixpk= 2018, nxpk= 0, iat= 844, 927, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, &end
#
# 61 ILE HG13 84 THR QG2 4.37 (#peak 2018 #SUP 0.98 #QF 0.95)
&rst
ixpk= 2018, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1320,1321,1322,
&end
#
# 61 ILE QG2 61 ILE HG13 3.76 (#peak 2019 #SUP 1.00)
&rst
ixpk= 2019, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 922, 923, 924,
&end
#
# 54 ILE QG2 61 ILE HG13 3.74 (#peak 2020 #SUP 1.00 #QF 0.88)
&rst
ixpk= 2020, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 814, 815, 816,
&end
#
# 54 ILE QD1 61 ILE HG12 4.49 (#peak 2022 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2022, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 821, 822, 823,
&end
#
# 54 ILE HB 61 ILE HG13 5.50 (#peak 2028 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2028, nxpk= 0, iat= 812, 927, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ILE HG12 66 LEU HG 4.14 (#peak 2046 #SUP 0.73 #QF 0.73)
&rst
ixpk= 2046, nxpk= 0, iat= 785,1013, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 52 ILE HG12 64 THR QG2 4.41 (#peak 2053 #SUP 0.98 #QF 0.97)
&rst
ixpk= 2053, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 978, 979, 980,
&end
#
# 29 LYS QG 29 LYS QE 3.7 (#peak 2083 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2083, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 426, 427,
igr2= 432, 433,
&end
#
# 29 LYS HB2 29 LYS QD 4 (#peak 2087 #SUP 0.73 #QF 0.73)
&rst
ixpk= 2087, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 429, 430,
&end
#
# 29 LYS QG 29 LYS QD 2.5 (#peak 2096 #SUP 0.61 #QF 0.61)
&rst
ixpk= 2096, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 426, 427,
igr2= 429, 430,
&end
#
# 29 LYS QD 81 LEU QD1 4.35 (#peak 2097 #SUP 0.56 #QF 0.56)
&rst
ixpk= 2097, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 429, 430,
igr2=1268,1269,1270,
&end
#
# 29 LYS QG 81 LEU QD2 4.51 (#peak 2099 #SUP 0.70 #QF 0.70)
&rst
ixpk= 2099, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 426, 427,
igr2=1272,1273,1274,
&end
#
# 87 ALA QB 88 LEU HA 3.85 (#peak 2103 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2103, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1362,1363,1364,
&end
#
# 87 ALA H 87 ALA QB 2.80 (#peak 2105 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2105, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1362,1363,1364,
&end
#
# 61 ILE HA 87 ALA QB 3.88 (#peak 2108 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2108, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1362,1363,1364,
&end
#
# 61 ILE QG2 87 ALA QB 3.01 (#peak 2110 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2110, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 922, 923, 924,
igr2=1362,1363,1364,
&end
#
# 56 VAL QQG 87 ALA QB 4.25 (#peak 2112 #SUP 0.87 #QF 0.75)
&rst
ixpk= 2112, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1362,1363,1364,
&end
#
# 84 THR QG2 87 ALA QB 4.67 (#peak 2112 #SUP 0.87 #QF 0.75)
&rst
ixpk= 2112, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1320,1321,1322,
igr2=1362,1363,1364,
&end
#
# 80 ALA QB 81 LEU QD2 3.63 (#peak 2116 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2116, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1253,1254,1255,
igr2=1272,1273,1274,
&end
#
# 54 ILE QG2 80 ALA QB 4.32 (#peak 2118 #SUP 0.68 #QF 0.20)
&rst
ixpk= 2118, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 814, 815, 816,
igr2=1253,1254,1255,
&end
#
# 64 THR QG2 80 ALA QB 4.49 (#peak 2118 #SUP 0.68 #QF 0.20)
&rst
ixpk= 2118, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 978, 979, 980,
igr2=1253,1254,1255,
&end
#
# 61 ILE HG12 87 ALA QB 4.21 (#peak 2120 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2120, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1362,1363,1364,
&end
#
# 61 ILE HG13 87 ALA QB 4.18 (#peak 2121 #SUP 0.74 #QF 0.74)
&rst
ixpk= 2121, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1362,1363,1364,
&end
#
# 77 VAL HA 80 ALA QB 3.57 (#peak 2124 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2124, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1253,1254,1255,
&end
#
# 48 ALA QB 49 GLY HA3 4 (#peak 2132 #SUP 0.56 #QF 0.56)
&rst
ixpk= 2132, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 727, 728, 729,
&end
#
# 25 ALA QB 74 GLU HA 4.43 (#peak 2133 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2133, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 370, 371, 372,
&end
#
# 21 ASP HB3 25 ALA QB 3.78 (#peak 2134 #SUP 0.68 #QF 0.68)
&rst
ixpk= 2134, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 370, 371, 372,
&end
#
# 26 PHE QD 80 ALA QB 3.83 (#peak 2137 #SUP 0.88 #QF 0.79)
&rst
ixpk= 2137, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 384, 392,
igr2=1253,1254,1255,
&end
#
# 26 PHE QE 80 ALA QB 4.29 (#peak 2137 #SUP 0.88 #QF 0.79)
&rst
ixpk= 2137, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 386, 390,
igr2=1253,1254,1255,
&end
#
# 22 PHE HZ 80 ALA QB 3.27 (#peak 2139 #SUP 0.68 #QF 0.68)
&rst
ixpk= 2139, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1253,1254,1255,
&end
#
# 62 PHE QE 80 ALA QB 3.70 (#peak 2140 #SUP 0.98 #QF 0.95)
&rst
ixpk= 2140, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 945, 949,
igr2=1253,1254,1255,
&end
#
# 80 ALA QB 81 LEU H 3.51 (#peak 2142 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2142, nxpk= 0, iat= -1,1259, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1253,1254,1255,
&end
#
# 25 ALA QB 73 PHE QE 3.16 (#peak 2154 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2154, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 370, 371, 372,
igr2=1146,1150,
&end
#
# 25 ALA QB 73 PHE HZ 3.42 (#peak 2155 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2155, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 370, 371, 372,
&end
#
# 15 VAL H 15 VAL QG2 4.05 (#peak 2157 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2157, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 218, 219, 220,
&end
#
# 62 PHE HZ 64 THR QG2 3.40 (#peak 2161 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2161, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 978, 979, 980,
&end
#
# 62 PHE QE 64 THR QG2 3.20 (#peak 2162 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2162, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 945, 949,
igr2= 978, 979, 980,
&end
#
# 64 THR HA 64 THR QG2 3.38 (#peak 2170 #SUP 0.82 #QF 0.82)
&rst
ixpk= 2170, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 978, 979, 980,
&end
#
# 64 THR QG2 76 THR HA 4.33 (#peak 2171 #SUP 0.59 #QF 0.59)
&rst
ixpk= 2171, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 978, 979, 980,
&end
#
# 64 THR QG2 76 THR QG2 2.69 (#peak 2175 #SUP 0.97 #QF 0.85)
&rst
ixpk= 2175, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 978, 979, 980,
igr2=1199,1200,1201,
&end
#
# 93 ILE HA 96 ALA QB 3.44 (#peak 2184 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2184, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1520,1521,1522,
&end
#
# 45 SER HA 46 ALA QB 4.21 (#peak 2196 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2196, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 693, 694, 695,
&end
#
# 52 ILE HA 52 ILE QG2 3.35 (#peak 2197 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2197, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 781, 782, 783,
&end
#
# 52 ILE QG2 64 THR QG2 3.36 (#peak 2199 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2199, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 781, 782, 783,
igr2= 978, 979, 980,
&end
#
# 40 ILE QG2 52 ILE QG2 3.05 (#peak 2200 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2200, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 598, 599, 600,
igr2= 781, 782, 783,
&end
#
# 52 ILE QG2 52 ILE HG12 3.46 (#peak 2201 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2201, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 781, 782, 783,
&end
#
# 14 THR QG2 52 ILE QG2 3.88 (#peak 2202 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2202, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 200, 201, 202,
igr2= 781, 782, 783,
&end
#
# 52 ILE QG2 54 ILE HB 4.12 (#peak 2204 #SUP 0.62 #QF 0.62)
&rst
ixpk= 2204, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 781, 782, 783,
&end
#
# 40 ILE HB 52 ILE QG2 5.03 (#peak 2205 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2205, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 781, 782, 783,
&end
#
# 42 GLU HA 52 ILE QG2 4.31 (#peak 2206 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2206, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 781, 782, 783,
&end
#
# 22 PHE QE 52 ILE QG2 3.57 (#peak 2207 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2207, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 311, 315,
igr2= 781, 782, 783,
&end
#
# 22 PHE HZ 52 ILE QG2 4.18 (#peak 2208 #SUP 0.99 #QF 0.98)
&rst
ixpk= 2208, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 781, 782, 783,
&end
#
# 52 ILE QG2 62 PHE QE 4.31 (#peak 2209 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2209, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 781, 782, 783,
igr2= 945, 949,
&end
#
# 52 ILE QG2 64 THR H 4.41 (#peak 2211 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2211, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 781, 782, 783,
&end
#
# 52 ILE QG2 54 ILE H 4.23 (#peak 2213 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2213, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 781, 782, 783,
&end
#
# 52 ILE QG2 62 PHE QD 4.70 (#peak 2215 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2215, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 781, 782, 783,
igr2= 943, 951,
&end
#
# 26 PHE QD 52 ILE QG2 5.50 (#peak 2216 #SUP 0.80 #QF 0.80)
&rst
ixpk= 2216, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 384, 392,
igr2= 781, 782, 783,
&end
#
# 54 ILE HA 54 ILE QD1 3.34 (#peak 2219 #SUP 0.78 #QF 0.78)
&rst
ixpk= 2219, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 821, 822, 823,
&end
#
# 38 LEU HA 54 ILE QD1 4.13 (#peak 2221 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2221, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 821, 822, 823,
&end
#
# 39 THR HA 54 ILE QD1 5.50 (#peak 2222 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2222, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 821, 822, 823,
&end
#
# 54 ILE QD1 56 VAL HA 4.20 (#peak 2225 #SUP 0.72 #QF 0.72)
&rst
ixpk= 2225, nxpk= 0, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 821, 822, 823,
&end
#
# 54 ILE QD1 60 VAL HA 4.56 (#peak 2227 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2227, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 821, 822, 823,
&end
#
# 54 ILE QD1 62 PHE HB3 4.39 (#peak 2229 #SUP 0.74 #QF 0.74)
&rst
ixpk= 2229, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 821, 822, 823,
&end
#
# 54 ILE QD1 61 ILE HB 4.37 (#peak 2230 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2230, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 821, 822, 823,
&end
#
# 54 ILE HB 54 ILE QD1 3.36 (#peak 2231 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2231, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 821, 822, 823,
&end
#
# 38 LEU HG 54 ILE QD1 3.89 (#peak 2234 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2234, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 821, 822, 823,
&end
#
# 54 ILE QD1 61 ILE HG13 3.75 (#peak 2235 #SUP 0.65 #QF 0.65)
&rst
ixpk= 2235, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 821, 822, 823,
&end
#
# 54 ILE QD1 56 VAL QQG 3.52 (#peak 2236 #SUP 0.87 #QF 0.79)
&rst
ixpk= 2236, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 821, 822, 823,
&end
#
# 54 ILE QD1 84 THR QG2 3.65 (#peak 2236 #SUP 0.87 #QF 0.79)
&rst
ixpk= 2236, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 821, 822, 823,
igr2=1320,1321,1322,
&end
#
# 26 PHE HZ 54 ILE QD1 4.80 (#peak 2238 #SUP 0.55 #QF 0.55)
&rst
ixpk= 2238, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 821, 822, 823,
&end
#
# 30 TRP HH2 54 ILE QD1 5.11 (#peak 2239 #SUP 0.66 #QF 0.66)
&rst
ixpk= 2239, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 821, 822, 823,
&end
#
# 54 ILE QD1 62 PHE QD 4.96 (#peak 2240 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2240, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 821, 822, 823,
igr2= 943, 951,
&end
#
# 54 ILE QD1 62 PHE H 4.40 (#peak 2241 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2241, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 821, 822, 823,
&end
#
# 54 ILE H 54 ILE QD1 4.12 (#peak 2243 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2243, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 821, 822, 823,
&end
#
# 54 ILE QD1 57 ASN H 5.5 (#peak 2244 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2244, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 821, 822, 823,
&end
#
# 61 ILE QD1 87 ALA QB 3.14 (#peak 2251 #SUP 0.42 #QF 0.42)
&rst
ixpk= 2251, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 929, 930, 931,
igr2=1362,1363,1364,
&end
#
# 61 ILE QD1 88 LEU HG 4.19 (#peak 2252 #SUP 0.44 #QF 0.44)
&rst
ixpk= 2252, nxpk= 0, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 929, 930, 931,
&end
#
# 56 VAL HB 61 ILE QD1 4.16 (#peak 2253 #SUP 0.52 #QF 0.52)
&rst
ixpk= 2253, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 929, 930, 931,
&end
#
# 61 ILE HB 61 ILE QD1 3.24 (#peak 2254 #SUP 0.39 #QF 0.39)
&rst
ixpk= 2254, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 929, 930, 931,
&end
#
# 54 ILE QG1 61 ILE QD1 4.01 (#peak 2255 #SUP 0.44 #QF 0.22)
&rst
ixpk= 2255, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 818, 819,
igr2= 929, 930, 931,
&end
#
# 38 LEU HB3 61 ILE QD1 4.04 (#peak 2258 #SUP 0.37 #QF 0.37)
&rst
ixpk= 2258, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 929, 930, 931,
&end
#
# 61 ILE QD1 62 PHE HB3 4.40 (#peak 2262 #SUP 0.43 #QF 0.43)
&rst
ixpk= 2262, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 929, 930, 931,
&end
#
# 61 ILE QD1 84 THR HA 3.81 (#peak 2265 #SUP 0.47 #QF 0.47)
&rst
ixpk= 2265, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 929, 930, 931,
&end
#
# 60 VAL HA 61 ILE QD1 5.20 (#peak 2267 #SUP 0.48 #QF 0.48)
&rst
ixpk= 2267, nxpk= 0, iat= 902, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 929, 930, 931,
&end
#
# 61 ILE QD1 85 GLU HA 4.89 (#peak 2268 #SUP 0.45 #QF 0.45)
&rst
ixpk= 2268, nxpk= 0, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 929, 930, 931,
&end
#
# 38 LEU HA 61 ILE QD1 5.31 (#peak 2272 #SUP 0.41 #QF 0.41)
&rst
ixpk= 2272, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 929, 930, 931,
&end
#
# 55 THR HA 61 ILE QD1 4.46 (#peak 2273 #SUP 0.52 #QF 0.52)
&rst
ixpk= 2273, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 929, 930, 931,
&end
#
# 61 ILE QD1 62 PHE H 4.16 (#peak 2275 #SUP 0.58 #QF 0.58)
&rst
ixpk= 2275, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 929, 930, 931,
&end
#
# 61 ILE H 61 ILE QD1 4.5 (#peak 2276 #SUP 0.47 #QF 0.47)
&rst
ixpk= 2276, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 929, 930, 931,
&end
#
# 61 ILE QD1 88 LEU H 4.33 (#peak 2277 #SUP 0.47 #QF 0.47)
&rst
ixpk= 2277, nxpk= 0, iat= -1,1368, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 929, 930, 931,
&end
#
# 7 PRO HG3 35 THR QG2 4.75 (#peak 2291 #SUP 0.80 #QF 0.80)
&rst
ixpk= 2291, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 530, 531, 532,
&end
#
# 7 PRO HG2 35 THR QG2 4.75 (#peak 2292 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2292, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 530, 531, 532,
&end
#
# 43 ARG HA 44 PRO HG3 4.37 (#peak 2301 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2301, nxpk= 0, iat= 642, 669, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 43 ARG HA 44 PRO HG2 5 (#peak 2302 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2302, nxpk= 0, iat= 642, 668, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 67 PHE HA 68 PRO HG2 4.38 (#peak 2304 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2304, nxpk= 0, iat=1027,1049, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 44 PRO HG2 45 SER HA 5.05 (#peak 2306 #SUP 0.60 #QF 0.60)
&rst
ixpk= 2306, nxpk= 0, iat= 668, 680, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 24 ARG HA 24 ARG HG2 4.03 (#peak 2312 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2312, nxpk= 0, iat= 344, 349, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 24 ARG HG3 25 ALA H 4.58 (#peak 2315 #SUP 0.77 #QF 0.77)
&rst
ixpk= 2315, nxpk= 0, iat= 350, 366, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 24 ARG QB 24 ARG HG3 3.00 (#peak 2320 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2320, nxpk= 0, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 346, 347,
&end
#
# 7 PRO HB3 35 THR QG2 5.00 (#peak 2361 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2361, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 530, 531, 532,
&end
#
# 74 GLU QG 77 VAL HB 4.85 (#peak 2375 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2375, nxpk= 0, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1163,1164,
&end
#
# 76 THR HB 77 VAL HB 5.17 (#peak 2376 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2376, nxpk= 0, iat=1197,1211, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 53 THR HA 63 GLN QB 3.45 (#peak 2381 #SUP 1.00 #QF 0.71)
&rst
ixpk= 2381, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 959, 960,
&end
#
# 43 ARG HB3 44 PRO HD2 4.74 (#peak 2385 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2385, nxpk= 0, iat= 645, 665, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 55 THR QG2 63 GLN QB 5.24 (#peak 2389 #SUP 0.94 #QF 0.90)
&rst
ixpk= 2389, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 833, 834, 835,
igr2= 959, 960,
&end
#
# 63 GLN QB 64 THR HA 4.39 (#peak 2393 #SUP 0.58 #QF 0.58)
&rst
ixpk= 2393, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 959, 960,
&end
#
# 51 TRP HH2 63 GLN QB 4.80 (#peak 2395 #SUP 0.70 #QF 0.70)
&rst
ixpk= 2395, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 959, 960,
&end
#
# 54 ILE H 63 GLN QB 4.64 (#peak 2399 #SUP 0.96 #QF 0.80)
&rst
ixpk= 2399, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 959, 960,
&end
#
# 4 VAL HB 6 VAL H 3.94 (#peak 2408 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2408, nxpk= 0, iat= 49, 76, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 2 VAL H 2 VAL HB 3.98 (#peak 2409 #SUP 0.95 #QF 0.32)
&rst
ixpk= 2409, nxpk= 0, iat= 14, 18, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 44 PRO HB2 45 SER H 3.82 (#peak 2413 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2413, nxpk= 0, iat= 671, 678, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 43 ARG HA 44 PRO HB2 5.50 (#peak 2417 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2417, nxpk= 0, iat= 642, 671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 GLU HA 6 VAL HB 5.09 (#peak 2420 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2420, nxpk= 0, iat= 63, 80, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 72 ASP HA 75 LYS HB2 3.89 (#peak 2423 #SUP 0.67 #QF 0.67)
&rst
ixpk= 2423, nxpk= 0, iat=1126,1175, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 4 VAL HB 6 VAL HA 5.00 (#peak 2424 #SUP 0.67 #QF 0.67)
&rst
ixpk= 2424, nxpk= 0, iat= 49, 78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 ARG HB2 44 PRO HD2 4.74 (#peak 2430 #SUP 0.73 #QF 0.73)
&rst
ixpk= 2430, nxpk= 0, iat= 644, 665, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 16 SER QB 44 PRO HB3 3.93 (#peak 2432 #SUP 0.99 #QF 0.35)
&rst
ixpk= 2432, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 228, 229,
&end
#
# 6 VAL HB 7 PRO HD2 3.49 (#peak 2433 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2433, nxpk= 0, iat= 80, 93, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 72 ASP HB2 75 LYS HB2 4.45 (#peak 2437 #SUP 0.98 #QF 0.90)
&rst
ixpk= 2437, nxpk= 0, iat=1128,1175, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 53 THR HB 63 GLN QB 4.45 (#peak 2451 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2451, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 959, 960,
&end
#
# 62 PHE HA 63 GLN QB 4.61 (#peak 2452 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2452, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 959, 960,
&end
#
# 7 PRO HB2 35 THR QG2 4.05 (#peak 2458 #SUP 0.79 #QF 0.79)
&rst
ixpk= 2458, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 530, 531, 532,
&end
#
# 56 VAL HB 57 ASN H 4.53 (#peak 2460 #SUP 0.47 #QF 0.47)
&rst
ixpk= 2460, nxpk= 0, iat= 845, 857, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 56 VAL HB 59 ASP H 4.52 (#peak 2461 #SUP 0.62 #QF 0.62)
&rst
ixpk= 2461, nxpk= 0, iat= 845, 888, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 55 THR HA 56 VAL HB 4.65 (#peak 2465 #SUP 0.55 #QF 0.55)
&rst
ixpk= 2465, nxpk= 0, iat= 829, 845, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 56 VAL HB 59 ASP HB2 4.81 (#peak 2466 #SUP 0.60 #QF 0.60)
&rst
ixpk= 2466, nxpk= 0, iat= 845, 892, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 56 VAL HB 61 ILE QG2 3.87 (#peak 2469 #SUP 0.46 #QF 0.46)
&rst
ixpk= 2469, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 922, 923, 924,
&end
#
# 82 ILE QG2 83 GLN HG3 4.52 (#peak 2475 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2475, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1284,1285,1286,
&end
#
# 79 ALA QB 83 GLN HG3 4.36 (#peak 2477 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2477, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1243,1244,1245,
&end
#
# 80 ALA HA 83 GLN HG3 4.22 (#peak 2487 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2487, nxpk= 0, iat=1251,1305, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 80 ALA H 83 GLN HG3 5.5 (#peak 2500 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2500, nxpk= 0, iat=1249,1305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS H 29 LYS HB3 3.90 (#peak 2506 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2506, nxpk= 0, iat= 419, 424, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 29 LYS HB3 30 TRP H 4.67 (#peak 2508 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2508, nxpk= 0, iat= 424, 441, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 29 LYS H 29 LYS HB2 3.90 (#peak 2509 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2509, nxpk= 0, iat= 419, 423, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 29 LYS HB3 81 LEU QD1 3.70 (#peak 2516 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2516, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1268,1269,1270,
&end
#
# 14 THR QG2 42 GLU HB3 4.60 (#peak 2518 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2518, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 200, 201, 202,
&end
#
# 14 THR QG2 42 GLU HB2 4.75 (#peak 2519 #SUP 0.81 #QF 0.81)
&rst
ixpk= 2519, nxpk= 0, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 200, 201, 202,
&end
#
# 29 LYS HB2 29 LYS QE 4.74 (#peak 2520 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2520, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 432, 433,
&end
#
# 29 LYS HB3 29 LYS QE 4.74 (#peak 2521 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2521, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 432, 433,
&end
#
# 14 THR QG2 42 GLU HG2 4.08 (#peak 2531 #SUP 0.29 #QF 0.29)
&rst
ixpk= 2531, nxpk= 0, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 200, 201, 202,
&end
#
# 31 GLU HA 31 GLU QG 3.56 (#peak 2532 #SUP 0.59 #QF 0.59)
&rst
ixpk= 2532, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 472, 473,
&end
#
# 14 THR HB 42 GLU HG2 3.85 (#peak 2533 #SUP 0.78 #QF 0.78)
&rst
ixpk= 2533, nxpk= 0, iat= 198, 632, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 14 THR HA 42 GLU HG3 4.45 (#peak 2536 #SUP 0.68 #QF 0.68)
&rst
ixpk= 2536, nxpk= 0, iat= 196, 633, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 31 GLU H 31 GLU QG 4.35 (#peak 2545 #SUP 0.77 #QF 0.77)
&rst
ixpk= 2545, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 472, 473,
&end
#
# 85 GLU HG2 86 GLU H 4.73 (#peak 2551 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2551, nxpk= 0, iat=1335,1343, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 85 GLU HG3 86 GLU H 4.73 (#peak 2552 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2552, nxpk= 0, iat=1336,1343, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 85 GLU HA 85 GLU HG2 3.90 (#peak 2557 #SUP 1.00)
&rst
ixpk= 2557, nxpk= 0, iat=1330,1335, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 85 GLU HA 85 GLU HG3 3.90 (#peak 2558 #SUP 1.00)
&rst
ixpk= 2558, nxpk= 0, iat=1330,1336, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 86 GLU H 86 GLU HG2 3.44 (#peak 2561 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2561, nxpk= 0, iat=1343,1350, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 86 GLU HA 86 GLU HG3 3.72 (#peak 2563 #SUP 0.67 #QF 0.67)
&rst
ixpk= 2563, nxpk= 0, iat=1345,1351, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 86 GLU HG2 89 ASN HB2 4.45 (#peak 2566 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2566, nxpk= 0, iat=1350,1391, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 56 VAL QQG 57 ASN HB2 4.34 (#peak 2577 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2577, nxpk= 0, iat= 844, 861, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, &end
#
# 56 VAL QQG 57 ASN HB3 4.19 (#peak 2578 #SUP 0.83 #QF 0.83)
&rst
ixpk= 2578, nxpk= 0, iat= 844, 862, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, &end
#
# 57 ASN HB2 58 GLN HG2 4.23 (#peak 2579 #SUP 0.97 #QF 0.91)
&rst
ixpk= 2579, nxpk= 0, iat= 861, 878, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 57 ASN HB2 58 GLN HB3 4.76 (#peak 2581 #SUP 0.77 #QF 0.77)
&rst
ixpk= 2581, nxpk= 0, iat= 861, 876, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 57 ASN HB3 59 ASP H 5 (#peak 2587 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2587, nxpk= 0, iat= 862, 888, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 ASN HB3 58 GLN H 3.35 (#peak 2590 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2590, nxpk= 0, iat= 862, 871, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 83 GLN HA 86 GLU HG2 3.68 (#peak 2593 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2593, nxpk= 0, iat=1299,1350, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 83 GLN HA 86 GLU HG3 3.82 (#peak 2594 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2594, nxpk= 0, iat=1299,1351, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 73 PHE QD 74 GLU QG 4.02 (#peak 2596 #SUP 0.93 #QF 0.91)
&rst
ixpk= 2596, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1144,1152,
igr2=1163,1164,
&end
#
# 73 PHE QE 74 GLU QG 4.42 (#peak 2596 #SUP 0.93 #QF 0.91)
&rst
ixpk= 2596, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1146,1150,
igr2=1163,1164,
&end
#
# 74 GLU QG 78 VAL H 4.98 (#peak 2598 #SUP 0.65 #QF 0.65)
&rst
ixpk= 2598, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1163,1164,
&end
#
# 74 GLU QG 75 LYS HA 4.97 (#peak 2604 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2604, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1163,1164,
&end
#
# 74 GLU HA 74 GLU QG 3.12 (#peak 2605 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2605, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2=1163,1164,
&end
#
# 74 GLU QG 75 LYS QE 4.40 (#peak 2608 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2608, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1163,1164,
igr2=1184,1185,
&end
#
# 29 LYS QE 74 GLU QG 4.67 (#peak 2609 #SUP 0.58 #QF 0.58)
&rst
ixpk= 2609, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 432, 433,
igr2=1163,1164,
&end
#
# 74 GLU HB3 74 GLU QG 2.81 (#peak 2612 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2612, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2=1163,1164,
&end
#
# 25 ALA QB 74 GLU QG 4.63 (#peak 2615 #SUP 0.83 #QF 0.83)
&rst
ixpk= 2615, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 370, 371, 372,
igr2=1163,1164,
&end
#
# 74 GLU QG 77 VAL QG1 4.75 (#peak 2619 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2619, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1163,1164,
igr2=1213,1214,1215,
&end
#
# 89 ASN HD21 89 ASN HB2 3.50 (#peak 2624 #SUP 0.92 #QF 0.58)
&rst
ixpk= 2624, nxpk= 0, iat=1397,1391, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 ASN HD21 89 ASN HB3 3.50 (#peak 2625 #SUP 0.92 #QF 0.58)
&rst
ixpk= 2625, nxpk= 0, iat=1397,1392, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 ASN HB2 90 ARG H 3.53 (#peak 2627 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2627, nxpk= 0, iat=1391,1401, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 89 ASN HB3 90 ARG H 3.53 (#peak 2628 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2628, nxpk= 0, iat=1392,1401, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 87 ALA H 89 ASN HB2 5.50 (#peak 2630 #SUP 0.92 #QF 0.58)
&rst
ixpk= 2630, nxpk= 0, iat=1358,1391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 ASN H 89 ASN HB2 2.90 (#peak 2631 #SUP 0.94 #QF 0.92)
&rst
ixpk= 2631, nxpk= 0, iat=1387,1391, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 89 ASN H 89 ASN HB3 3.50 (#peak 2632 #SUP 0.94 #QF 0.92)
&rst
ixpk= 2632, nxpk= 0, iat=1387,1392, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 GLU HA 89 ASN HB3 3.77 (#peak 2641 #SUP 0.76 #QF 0.76)
&rst
ixpk= 2641, nxpk= 0, iat=1345,1392, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 86 GLU HA 89 ASN HB2 3.55 (#peak 2642 #SUP 0.82 #QF 0.82)
&rst
ixpk= 2642, nxpk= 0, iat=1345,1391, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 89 ASN HB2 90 ARG QB 5 (#peak 2650 #SUP 0.83 #QF 0.83)
&rst
ixpk= 2650, nxpk= 0, iat=1391, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1405,1406,
&end
#
# 89 ASN HB3 90 ARG QB 5 (#peak 2652 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2652, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1405,1406,
&end
#
# 86 GLU HG2 89 ASN HB3 5.50 (#peak 2655 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2655, nxpk= 0, iat=1350,1392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 ASN HB2 93 ILE QD1 4.57 (#peak 2658 #SUP 0.93 #QF 0.71)
&rst
ixpk= 2658, nxpk= 0, iat=1391, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1479,1480,1481,
&end
#
# 89 ASN HB3 93 ILE QD1 5.50 (#peak 2659 #SUP 0.93 #QF 0.71)
&rst
ixpk= 2659, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1479,1480,1481,
&end
#
# 38 LEU HB2 54 ILE HB 5.30 (#peak 2669 #SUP 0.64 #QF 0.64)
&rst
ixpk= 2669, nxpk= 0, iat= 563, 812, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 53 THR HA 54 ILE HB 4.79 (#peak 2674 #SUP 0.41 #QF 0.41)
&rst
ixpk= 2674, nxpk= 0, iat= 796, 812, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 54 ILE HB 62 PHE QD 4.33 (#peak 2676 #SUP 0.64 #QF 0.64)
&rst
ixpk= 2676, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 943, 951,
&end
#
# 54 ILE HB 62 PHE H 5.5 (#peak 2677 #SUP 0.67 #QF 0.67)
&rst
ixpk= 2677, nxpk= 0, iat= 812, 935, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ILE HB 66 LEU H 5.16 (#peak 2681 #SUP 1.00 #QF 0.98)
&rst
ixpk= 2681, nxpk= 0, iat= 779,1006, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 51 TRP HA 52 ILE HB 5.04 (#peak 2683 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2683, nxpk= 0, iat= 753, 779, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 52 ILE HB 64 THR QG2 3.42 (#peak 2685 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2685, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 978, 979, 980,
&end
#
# 12 ASP HB2 23 TYR QE 4.47 (#peak 2692 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2692, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 331, 336,
&end
#
# 12 ASP H 12 ASP HB2 3.69 (#peak 2693 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2693, nxpk= 0, iat= 165, 169, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 82 ILE H 82 ILE HB 2.94 (#peak 2697 #SUP 1.00 #QF 0.96)
&rst
ixpk= 2697, nxpk= 0, iat=1278,1282, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 79 ALA HA 82 ILE HB 3.81 (#peak 2700 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2700, nxpk= 0, iat=1241,1282, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 89 ASN HB2 93 ILE HB 4.81 (#peak 2704 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2704, nxpk= 0, iat=1391,1470, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 82 ILE HB 83 GLN HG2 5.31 (#peak 2705 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2705, nxpk= 0, iat=1282,1304, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 82 ILE HB 83 GLN HG3 4.57 (#peak 2706 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2706, nxpk= 0, iat=1282,1305, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 93 ILE QG2 93 ILE HB 3.00 (#peak 2711 #SUP 0.83 #QF 0.83)
&rst
ixpk= 2711, nxpk= 0, iat= -1,1470, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1472,1473,1474,
&end
#
# 61 ILE HB 87 ALA QB 3.43 (#peak 2716 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2716, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1362,1363,1364,
&end
#
# 61 ILE HB 87 ALA HA 4.69 (#peak 2718 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2718, nxpk= 0, iat= 920,1360, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 61 ILE H 61 ILE HB 4.05 (#peak 2721 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2721, nxpk= 0, iat= 916, 920, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 28 ASP H 28 ASP HB3 3.50 (#peak 2728 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2728, nxpk= 0, iat= 407, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 ALA HA 28 ASP HB2 3.66 (#peak 2730 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2730, nxpk= 0, iat= 368, 411, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 25 ALA HA 28 ASP HB3 4.09 (#peak 2731 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2731, nxpk= 0, iat= 368, 412, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 56 VAL HB 59 ASP HB3 4.81 (#peak 2738 #SUP 0.73 #QF 0.73)
&rst
ixpk= 2738, nxpk= 0, iat= 845, 893, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 28 ASP HB3 29 LYS QG 4.48 (#peak 2740 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2740, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 426, 427,
&end
#
# 25 ALA QB 28 ASP HB3 5.50 (#peak 2741 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2741, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 370, 371, 372,
&end
#
# 28 ASP HB2 29 LYS QG 4.42 (#peak 2742 #SUP 0.80 #QF 0.80)
&rst
ixpk= 2742, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 426, 427,
&end
#
# 56 VAL H 59 ASP HB3 4.97 (#peak 2748 #SUP 0.49 #QF 0.49)
&rst
ixpk= 2748, nxpk= 0, iat= 841, 893, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 41 ASN HB2 42 GLU H 4.20 (#peak 2757 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2757, nxpk= 0, iat= 615, 625, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 41 ASN HB2 53 THR QG2 4.80 (#peak 2774 #SUP 0.49 #QF 0.49)
&rst
ixpk= 2774, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 800, 801, 802,
&end
#
# 68 PRO QD 69 LEU H 5.33 (#peak 2790 #SUP 0.99 #QF 0.86)
&rst
ixpk= 2790, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1046,1047,
&end
#
# 12 ASP HA 23 TYR QD 4.41 (#peak 2798 #SUP 0.45 #QF 0.45)
&rst
ixpk= 2798, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 329, 338,
&end
#
# 93 ILE QG2 96 ALA HA 5.30 (#peak 2804 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2804, nxpk= 0, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1472,1473,1474,
&end
#
# 80 ALA HA 83 GLN HA 5.50 (#peak 2812 #SUP 1.00)
&rst
ixpk= 2812, nxpk= 0, iat=1251,1299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 PHE QD 80 ALA HA 4.35 (#peak 2813 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2813, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 943, 951,
&end
#
# 62 PHE QE 80 ALA HA 4.02 (#peak 2814 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2814, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 945, 949,
&end
#
# 62 PHE HZ 80 ALA HA 4.39 (#peak 2815 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2815, nxpk= 0, iat= 947,1251, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 22 PHE HZ 80 ALA HA 5.03 (#peak 2820 #SUP 0.73 #QF 0.73)
&rst
ixpk= 2820, nxpk= 0, iat= 313,1251, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 80 ALA HA 83 GLN HB3 4.36 (#peak 2821 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2821, nxpk= 0, iat=1251,1302, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 80 ALA HA 83 GLN HB2 4.22 (#peak 2822 #SUP 1.00)
&rst
ixpk= 2822, nxpk= 0, iat=1251,1301, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 42 GLU HA 52 ILE HA 4.76 (#peak 2846 #SUP 0.99 #QF 0.91)
&rst
ixpk= 2846, nxpk= 0, iat= 627, 777, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 25 ALA HA 28 ASP H 4.52 (#peak 2861 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2861, nxpk= 0, iat= 368, 407, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 106 ASP H 107 GLU HA 5.22 (#peak 2872 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2872, nxpk= 0, iat=1654,1668, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 88 LEU HA 88 LEU QD2 4.29 (#peak 2887 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2887, nxpk= 0, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1381,1382,1383,
&end
#
# 44 PRO HA 45 SER QB 4.50 (#peak 2893 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2893, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 682, 683,
&end
#
# 45 SER QB 65 PHE QE 4.68 (#peak 2894 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2894, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 682, 683,
igr2= 996,1000,
&end
#
# 45 SER QB 65 PHE HZ 4.53 (#peak 2896 #SUP 0.56 #QF 0.56)
&rst
ixpk= 2896, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 682, 683,
&end
#
# 45 SER QB 46 ALA HA 5 (#peak 2903 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2903, nxpk= 0, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 682, 683,
&end
#
# 16 SER QB 44 PRO HA 4.13 (#peak 2912 #SUP 0.93 #QF 0.26)
&rst
ixpk= 2912, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 228, 229,
&end
#
# 22 PHE QE 77 VAL HA 3.60 (#peak 2915 #SUP 0.97 #QF 0.93)
&rst
ixpk= 2915, nxpk= 0, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 311, 315,
&end
#
# 22 PHE QD 77 VAL HA 4.18 (#peak 2916 #SUP 0.91 #QF 0.82)
&rst
ixpk= 2916, nxpk= 0, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 309, 317,
&end
#
# 22 PHE HZ 77 VAL HA 4.44 (#peak 2916 #SUP 0.91 #QF 0.82)
&rst
ixpk= 2916, nxpk= 0, iat= 313,1209, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 78 VAL HA 82 ILE H 5.50 (#peak 2918 #SUP 1.00)
&rst
ixpk= 2918, nxpk= 0, iat=1225,1278, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 VAL HA 81 LEU QD2 4.41 (#peak 2931 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2931, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1272,1273,1274,
&end
#
# 78 VAL HA 78 VAL QG1 3.30 (#peak 2935 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2935, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1229,1230,1231,
&end
#
# 25 ALA QB 77 VAL HA 5.38 (#peak 2937 #SUP 0.96 #QF 0.83)
&rst
ixpk= 2937, nxpk= 0, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 370, 371, 372,
&end
#
# 77 VAL HA 81 LEU HG 5.50 (#peak 2937 #SUP 0.96 #QF 0.83)
&rst
ixpk= 2937, nxpk= 0, iat=1209,1266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS QG 78 VAL HA 4.98 (#peak 2940 #SUP 0.84 #QF 0.66)
&rst
ixpk= 2940, nxpk= 0, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 426, 427,
&end
#
# 76 THR HA 79 ALA QB 3.84 (#peak 2945 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2945, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1243,1244,1245,
&end
#
# 84 THR HB 85 GLU HA 4.49 (#peak 2949 #SUP 0.71 #QF 0.71)
&rst
ixpk= 2949, nxpk= 0, iat=1318,1330, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 76 THR HA 79 ALA H 4.68 (#peak 2953 #SUP 0.75 #QF 0.75)
&rst
ixpk= 2953, nxpk= 0, iat=1195,1239, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 62 PHE QE 64 THR HB 4.19 (#peak 2956 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2956, nxpk= 0, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 945, 949,
&end
#
# 62 PHE HZ 64 THR HB 4.07 (#peak 2957 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2957, nxpk= 0, iat= 947, 976, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 49 GLY HA3 65 PHE HZ 4.99 (#peak 2982 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2982, nxpk= 0, iat= 736, 998, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 85 GLU HA 88 LEU HB2 4.51 (#peak 2994 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2994, nxpk= 0, iat=1330,1372, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 29 LYS HB3 29 LYS QD 3.45 (#peak 3016 #SUP 0.46 #QF 0.46)
&rst
ixpk= 3016, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 429, 430,
&end
#
# 18 ILE QG2 66 LEU HB2 5.5 (#peak 3024 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3024, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 252, 253, 254,
&end
#
# 9 LEU HA 37 ASN HD21 5.36 (#peak 3040 #SUP 0.58 #QF 0.58)
&rst
ixpk= 3040, nxpk= 0, iat= 115, 555, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 56 VAL QQG 59 ASP HB2 4.96 (#peak 3052 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3052, nxpk= 0, iat= 844, 892, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, &end
#
# 5 GLU H 5 GLU HB3 4 (#peak 3056 #SUP 0.79 #QF 0.79)
&rst
ixpk= 3056, nxpk= 0, iat= 61, 66, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 5 GLU H 5 GLU HB2 4 (#peak 3057 #SUP 0.79 #QF 0.79)
&rst
ixpk= 3057, nxpk= 0, iat= 61, 65, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 93 ILE H 93 ILE QD1 3.70 (#peak 3060 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3060, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1479,1480,1481,
&end
#
# 89 ASN H 93 ILE QD1 4.38 (#peak 3061 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3061, nxpk= 0, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1479,1480,1481,
&end
#
# 18 ILE QD1 67 PHE H 3.61 (#peak 3063 #SUP 0.23 #QF 0.23)
&rst
ixpk= 3063, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 259, 260, 261,
&end
#
# 34 TYR H 93 ILE QD1 3.93 (#peak 3064 #SUP 0.36 #QF 0.36)
&rst
ixpk= 3064, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1479,1480,1481,
&end
#
# 17 SER H 18 ILE QD1 5.50 (#peak 3066 #SUP 0.70 #QF 0.70)
&rst
ixpk= 3066, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 259, 260, 261,
&end
#
# 92 GLN HE21 93 ILE QD1 4.98 (#peak 3072 #SUP 0.29 #QF 0.29)
&rst
ixpk= 3072, nxpk= 0, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1479,1480,1481,
&end
#
# 89 ASN HA 93 ILE QD1 3.74 (#peak 3089 #SUP 0.77 #QF 0.77)
&rst
ixpk= 3089, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1479,1480,1481,
&end
#
# 93 ILE HA 93 ILE QD1 5 (#peak 3090 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3090, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1479,1480,1481,
&end
#
# 85 GLU HA 93 ILE QD1 4.11 (#peak 3092 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3092, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1479,1480,1481,
&end
#
# 18 ILE QD1 49 GLY HA3 3.86 (#peak 3093 #SUP 0.81 #QF 0.81)
&rst
ixpk= 3093, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 259, 260, 261,
&end
#
# 92 GLN HG3 93 ILE QD1 4.61 (#peak 3096 #SUP 0.68 #QF 0.68)
&rst
ixpk= 3096, nxpk= 0, iat=1457, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1479,1480,1481,
&end
#
# 93 ILE HB 93 ILE QD1 2.80 (#peak 3097 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3097, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1479,1480,1481,
&end
#
# 52 ILE HG13 64 THR QG2 4.50 (#peak 3113 #SUP 1.00 #QF 0.97)
&rst
ixpk= 3113, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 978, 979, 980,
&end
#
# 18 ILE HG13 66 LEU HB3 4.00 (#peak 3118 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3118, nxpk= 0, iat= 257,1011, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 ILE HB 18 ILE HG13 2.75 (#peak 3120 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3120, nxpk= 0, iat= 250, 257, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 82 ILE HA 82 ILE QG1 3.57 (#peak 3121 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3121, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1288,1289,
&end
#
# 18 ILE HG13 68 PRO HA 5.15 (#peak 3124 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3124, nxpk= 0, iat= 257,1055, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 79 ALA HA 82 ILE QG1 4.33 (#peak 3125 #SUP 0.87 #QF 0.87)
&rst
ixpk= 3125, nxpk= 0, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1288,1289,
&end
#
# 18 ILE HA 18 ILE HG13 3.73 (#peak 3126 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3126, nxpk= 0, iat= 248, 257, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 93 ILE HA 93 ILE HG12 3.51 (#peak 3127 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3127, nxpk= 0, iat=1468,1476, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 78 VAL HA 82 ILE QG1 5.50 (#peak 3129 #SUP 0.27 #QF 0.27)
&rst
ixpk= 3129, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1288,1289,
&end
#
# 61 ILE HA 61 ILE QD1 4.29 (#peak 3161 #SUP 0.46 #QF 0.46)
&rst
ixpk= 3161, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 929, 930, 931,
&end
#
# 93 ILE QG2 96 ALA QB 3.63 (#peak 3164 #SUP 0.88 #QF 0.88)
&rst
ixpk= 3164, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1472,1473,1474,
igr2=1520,1521,1522,
&end
#
# 93 ILE QG2 93 ILE HG13 3.32 (#peak 3165 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3165, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1=1472,1473,1474,
&end
#
# 82 ILE HA 82 ILE QG2 3.12 (#peak 3169 #SUP 0.71 #QF 0.71)
&rst
ixpk= 3169, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1284,1285,1286,
&end
#
# 93 ILE HA 93 ILE QG2 3.11 (#peak 3170 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3170, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1472,1473,1474,
&end
#
# 82 ILE QG2 86 GLU HG2 3.58 (#peak 3171 #SUP 0.44 #QF 0.44)
&rst
ixpk= 3171, nxpk= 0, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1284,1285,1286,
&end
#
# 82 ILE QG2 83 GLN HA 3.87 (#peak 3172 #SUP 0.68 #QF 0.68)
&rst
ixpk= 3172, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1284,1285,1286,
&end
#
# 93 ILE QG2 94 ASN HA 4.34 (#peak 3173 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3173, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1472,1473,1474,
&end
#
# 82 ILE H 82 ILE QD1 3.55 (#peak 3177 #SUP 0.29 #QF 0.29)
&rst
ixpk= 3177, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1291,1292,1293,
&end
#
# 82 ILE QG2 83 GLN H 3.90 (#peak 3178 #SUP 0.67 #QF 0.67)
&rst
ixpk= 3178, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1284,1285,1286,
&end
#
# 93 ILE QG2 93 ILE HG12 3.46 (#peak 3193 #SUP 1.00)
&rst
ixpk= 3193, nxpk= 0, iat= -1,1476, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1472,1473,1474,
&end
#
# 93 ILE HA 93 ILE HG13 3.72 (#peak 3200 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3200, nxpk= 0, iat=1468,1477, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 85 GLU HA 93 ILE HG13 5.50 (#peak 3201 #SUP 1.00)
&rst
ixpk= 3201, nxpk= 0, iat=1330,1477, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ILE HA 18 ILE QD1 4.21 (#peak 3223 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3223, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 259, 260, 261,
&end
#
# 18 ILE QD1 66 LEU H 3.86 (#peak 3226 #SUP 0.48 #QF 0.48)
&rst
ixpk= 3226, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 259, 260, 261,
&end
#
# 18 ILE QD1 49 GLY H 4.77 (#peak 3227 #SUP 0.75 #QF 0.75)
&rst
ixpk= 3227, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 259, 260, 261,
&end
#
# 18 ILE QD1 73 PHE QD 4.19 (#peak 3231 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3231, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 259, 260, 261,
igr2=1144,1152,
&end
#
# 34 TYR QE 93 ILE QD1 4.72 (#peak 3235 #SUP 0.68 #QF 0.68)
&rst
ixpk= 3235, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 513, 518,
igr2=1479,1480,1481,
&end
#
# 18 ILE QD1 68 PRO HA 3.47 (#peak 3240 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3240, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 259, 260, 261,
&end
#
# 18 ILE QD1 49 GLY HA2 3.66 (#peak 3243 #SUP 0.74 #QF 0.74)
&rst
ixpk= 3243, nxpk= 0, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 259, 260, 261,
&end
#
# 18 ILE QD1 50 SER HB2 4.19 (#peak 3245 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3245, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 259, 260, 261,
&end
#
# 18 ILE QD1 19 GLY HA3 4.91 (#peak 3248 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3248, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 259, 260, 261,
&end
#
# 18 ILE QD1 50 SER HB3 4.19 (#peak 3249 #SUP 0.87 #QF 0.87)
&rst
ixpk= 3249, nxpk= 0, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 259, 260, 261,
&end
#
# 18 ILE QD1 73 PHE HB2 5 (#peak 3250 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3250, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 259, 260, 261,
&end
#
# 18 ILE QD1 67 PHE HB2 5.14 (#peak 3251 #SUP 0.85 #QF 0.85)
&rst
ixpk= 3251, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 259, 260, 261,
&end
#
# 18 ILE QD1 68 PRO HB2 4.36 (#peak 3253 #SUP 0.87 #QF 0.87)
&rst
ixpk= 3253, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 259, 260, 261,
&end
#
# 18 ILE QD1 68 PRO HB3 3.70 (#peak 3256 #SUP 0.63 #QF 0.63)
&rst
ixpk= 3256, nxpk= 0, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 259, 260, 261,
&end
#
# 18 ILE HB 18 ILE QD1 3.09 (#peak 3257 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3257, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 259, 260, 261,
&end
#
# 18 ILE QD1 66 LEU HB3 3.28 (#peak 3260 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3260, nxpk= 0, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 259, 260, 261,
&end
#
# 88 LEU HB2 93 ILE QD1 3.30 (#peak 3262 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3262, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1479,1480,1481,
&end
#
# 18 ILE QG2 18 ILE HG13 3.23 (#peak 3263 #SUP 1.00)
&rst
ixpk= 3263, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 252, 253, 254,
&end
#
# 18 ILE QG2 18 ILE HG12 3.24 (#peak 3264 #SUP 1.00)
&rst
ixpk= 3264, nxpk= 0, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 252, 253, 254,
&end
#
# 18 ILE QG2 66 LEU HB3 5 (#peak 3265 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3265, nxpk= 0, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 252, 253, 254,
&end
#
# 18 ILE QG2 68 PRO HB3 3.65 (#peak 3266 #SUP 0.72 #QF 0.72)
&rst
ixpk= 3266, nxpk= 0, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 252, 253, 254,
&end
#
# 18 ILE QG2 68 PRO HB2 3.97 (#peak 3269 #SUP 0.84 #QF 0.84)
&rst
ixpk= 3269, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 252, 253, 254,
&end
#
# 18 ILE QG2 21 ASP HB3 5.42 (#peak 3270 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3270, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 252, 253, 254,
&end
#
# 18 ILE QG2 21 ASP HB2 4.44 (#peak 3271 #SUP 0.79 #QF 0.79)
&rst
ixpk= 3271, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 252, 253, 254,
&end
#
# 18 ILE QG2 73 PHE HB2 3.96 (#peak 3272 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3272, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 252, 253, 254,
&end
#
# 18 ILE QG2 68 PRO QD 4.20 (#peak 3273 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3273, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 252, 253, 254,
igr2=1046,1047,
&end
#
# 18 ILE HA 18 ILE QG2 3.44 (#peak 3274 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3274, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 252, 253, 254,
&end
#
# 82 ILE QG2 82 ILE QG1 3.54 (#peak 3281 #SUP 0.96 #QF 0.92)
&rst
ixpk= 3281, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1284,1285,1286,
igr2=1288,1289,
&end
#
# 18 ILE HG12 49 GLY HA3 4.65 (#peak 3283 #SUP 0.57 #QF 0.57)
&rst
ixpk= 3283, nxpk= 0, iat= 256, 736, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 18 ILE HG12 68 PRO HA 4.22 (#peak 3284 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3284, nxpk= 0, iat= 256,1055, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 17 SER HA 18 ILE HG12 5.44 (#peak 3288 #SUP 0.72 #QF 0.72)
&rst
ixpk= 3288, nxpk= 0, iat= 237, 256, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 18 ILE HB 19 GLY HA2 4.15 (#peak 3295 #SUP 0.87 #QF 0.87)
&rst
ixpk= 3295, nxpk= 0, iat= 250, 267, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 18 ILE HB 21 ASP HB2 5.35 (#peak 3296 #SUP 0.87 #QF 0.87)
&rst
ixpk= 3296, nxpk= 0, iat= 250, 293, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 81 LEU H 82 ILE HB 5.24 (#peak 3297 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3297, nxpk= 0, iat=1259,1282, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 82 ILE HB 84 THR H 5.50 (#peak 3298 #SUP 0.84 #QF 0.84)
&rst
ixpk= 3298, nxpk= 0, iat=1282,1314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ILE HA 21 ASP HB3 4.92 (#peak 3305 #SUP 1.00)
&rst
ixpk= 3305, nxpk= 0, iat= 248, 294, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 17 SER QB 18 ILE H 3.98 (#peak 3311 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3311, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 239, 240,
&end
#
# 93 ILE HA 95 GLN H 4.47 (#peak 3313 #SUP 0.96 #QF 0.95)
&rst
ixpk= 3313, nxpk= 0, iat=1468,1499, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 17 SER QB 18 ILE QG2 4.47 (#peak 3317 #SUP 0.76 #QF 0.76)
&rst
ixpk= 3317, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 239, 240,
igr2= 252, 253, 254,
&end
#
# 74 GLU HA 77 VAL QG1 4.29 (#peak 3319 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3319, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1213,1214,1215,
&end
#
# 73 PHE HA 74 GLU HA 5.21 (#peak 3323 #SUP 0.96 #QF 0.89)
&rst
ixpk= 3323, nxpk= 0, iat=1138,1158, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 74 GLU HA 75 LYS HA 5.50 (#peak 3323 #SUP 0.96 #QF 0.89)
&rst
ixpk= 3323, nxpk= 0, iat=1158,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LYS HA 78 VAL QG2 4.66 (#peak 3333 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3333, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1233,1234,1235,
&end
#
# 75 LYS HA 79 ALA H 4.72 (#peak 3335 #SUP 0.79 #QF 0.79)
&rst
ixpk= 3335, nxpk= 0, iat=1173,1239, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 83 GLN HA 86 GLU HB3 4.14 (#peak 3349 #SUP 0.82 #QF 0.82)
&rst
ixpk= 3349, nxpk= 0, iat=1299,1348, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 72 ASP HB3 75 LYS HB2 4.45 (#peak 3358 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3358, nxpk= 0, iat=1129,1175, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 72 ASP HB2 75 LYS QD 5 (#peak 3360 #SUP 0.57 #QF 0.57)
&rst
ixpk= 3360, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1181,1182,
&end
#
# 80 ALA QB 81 LEU HA 4.23 (#peak 3364 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3364, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1253,1254,1255,
&end
#
# 62 PHE HZ 80 ALA QB 4.31 (#peak 3368 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3368, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1253,1254,1255,
&end
#
# 77 VAL H 80 ALA QB 5.27 (#peak 3370 #SUP 1.00 #QF 0.99)
&rst
ixpk= 3370, nxpk= 0, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1253,1254,1255,
&end
#
# 80 ALA QB 82 ILE H 5.50 (#peak 3370 #SUP 1.00 #QF 0.99)
&rst
ixpk= 3370, nxpk= 0, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1253,1254,1255,
&end
#
# 104 ALA QB 105 HIS HA 4.45 (#peak 3377 #SUP 0.47 #QF 0.47)
&rst
ixpk= 3377, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1631,1632,1633,
&end
#
# 85 GLU H 87 ALA QB 5.13 (#peak 3378 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3378, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1362,1363,1364,
&end
#
# 62 PHE HB2 87 ALA QB 4.33 (#peak 3384 #SUP 0.79 #QF 0.79)
&rst
ixpk= 3384, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1362,1363,1364,
&end
#
# 102 ASP HB2 104 ALA QB 5.50 (#peak 3388 #SUP 0.50 #QF 0.50)
&rst
ixpk= 3388, nxpk= 0, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1631,1632,1633,
&end
#
# 102 ASP HB3 104 ALA QB 5.50 (#peak 3389 #SUP 0.70 #QF 0.70)
&rst
ixpk= 3389, nxpk= 0, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1631,1632,1633,
&end
#
# 94 ASN H 96 ALA QB 5.26 (#peak 3393 #SUP 0.99 #QF 0.24)
&rst
ixpk= 3393, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1520,1521,1522,
&end
#
# 80 ALA QB 81 LEU QD1 4.93 (#peak 3395 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3395, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1=1253,1254,1255,
igr2=1268,1269,1270,
&end
#
# 26 PHE HB2 80 ALA QB 4.45 (#peak 3397 #SUP 0.98 #QF 0.53)
&rst
ixpk= 3397, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1253,1254,1255,
&end
#
# 26 PHE HB3 80 ALA QB 5.5 (#peak 3396 #SUP 0.98 #QF 0.53)
&rst
ixpk= 3396, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1253,1254,1255,
&end
#
# 25 ALA QB 28 ASP HB2 4.52 (#peak 3404 #SUP 0.87 #QF 0.87)
&rst
ixpk= 3404, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 370, 371, 372,
&end
#
# 25 ALA QB 26 PHE HB3 4.64 (#peak 3405 #SUP 0.86 #QF 0.86)
&rst
ixpk= 3405, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 370, 371, 372,
&end
#
# 78 VAL HA 80 ALA QB 5.01 (#peak 3410 #SUP 0.88 #QF 0.88)
&rst
ixpk= 3410, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1253,1254,1255,
&end
#
# 78 VAL QG1 79 ALA QB 4.99 (#peak 3425 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3425, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1229,1230,1231,
igr2=1243,1244,1245,
&end
#
# 73 PHE HA 73 PHE QD 4.13 (#peak 3432 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3432, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1144,1152,
&end
#
# 73 PHE HA 76 THR HB 4.48 (#peak 3434 #SUP 0.97 #QF 0.64)
&rst
ixpk= 3434, nxpk= 0, iat=1138,1197, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 22 PHE HA 26 PHE HB3 4.80 (#peak 3437 #SUP 0.42 #QF 0.42)
&rst
ixpk= 3437, nxpk= 0, iat= 303, 381, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 73 PHE HA 77 VAL HB 5.50 (#peak 3440 #SUP 0.73 #QF 0.73)
&rst
ixpk= 3440, nxpk= 0, iat=1138,1211, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 PHE HA 76 THR QG2 4.60 (#peak 3442 #SUP 0.87 #QF 0.87)
&rst
ixpk= 3442, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1199,1200,1201,
&end
#
# 22 PHE HA 25 ALA QB 4.16 (#peak 3444 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3444, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 370, 371, 372,
&end
#
# 22 PHE HA 73 PHE QE 4.32 (#peak 3449 #SUP 0.66 #QF 0.66)
&rst
ixpk= 3449, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1146,1150,
&end
#
# 22 PHE HA 24 ARG H 4.67 (#peak 3450 #SUP 0.77 #QF 0.77)
&rst
ixpk= 3450, nxpk= 0, iat= 303, 342, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 86 GLU HB3 87 ALA HA 4.71 (#peak 3461 #SUP 0.70 #QF 0.70)
&rst
ixpk= 3461, nxpk= 0, iat=1348,1360, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 103 LEU HG 104 ALA H 3.31 (#peak 3475 #SUP 0.40 #QF 0.40)
&rst
ixpk= 3475, nxpk= 0, iat=1615,1627, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 52 ILE QG2 52 ILE HG13 2.87 (#peak 3481 #SUP 0.97 #QF 0.69)
&rst
ixpk= 3481, nxpk= 0, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1= 781, 782, 783,
&end
#
# 52 ILE QG2 52 ILE QD1 2.99 (#peak 3482 #SUP 0.97 #QF 0.69)
&rst
ixpk= 3482, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 781, 782, 783,
igr2= 788, 789, 790,
&end
#
# 107 GLU H 107 GLU HG3 4.11 (#peak 3493 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3493, nxpk= 0, iat=1666,1674, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 107 GLU HA 107 GLU HG2 3.88 (#peak 3496 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3496, nxpk= 0, iat=1668,1673, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 107 GLU HA 107 GLU HG3 3.88 (#peak 3497 #SUP 0.87 #QF 0.87)
&rst
ixpk= 3497, nxpk= 0, iat=1668,1674, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 107 GLU HG3 108 PHE H 5.38 (#peak 3499 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3499, nxpk= 0, iat=1674,1681, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 86 GLU H 86 GLU HB3 3.59 (#peak 3518 #SUP 0.84 #QF 0.84)
&rst
ixpk= 3518, nxpk= 0, iat=1343,1348, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 86 GLU HB3 87 ALA H 3.92 (#peak 3519 #SUP 0.74 #QF 0.74)
&rst
ixpk= 3519, nxpk= 0, iat=1348,1358, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 83 GLN HA 86 GLU HB2 3.54 (#peak 3524 #SUP 0.80 #QF 0.80)
&rst
ixpk= 3524, nxpk= 0, iat=1299,1347, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 86 GLU HA 86 GLU HG2 3.53 (#peak 3536 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3536, nxpk= 0, iat=1345,1350, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 85 GLU H 86 GLU HG3 5.50 (#peak 3543 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3543, nxpk= 0, iat=1328,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 GLU H 86 GLU HB2 4.78 (#peak 3544 #SUP 0.71 #QF 0.71)
&rst
ixpk= 3544, nxpk= 0, iat=1328,1347, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 85 GLU HB2 86 GLU H 4.32 (#peak 3556 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3556, nxpk= 0, iat=1332,1343, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 16 SER QB 42 GLU HG3 4.49 (#peak 3573 #SUP 0.67 #QF 0.67)
&rst
ixpk= 3573, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 228, 229,
&end
#
# 57 ASN HB2 58 GLN HG3 4.23 (#peak 3578 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3578, nxpk= 0, iat= 861, 879, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 58 GLN H 58 GLN HB2 4.07 (#peak 3583 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3583, nxpk= 0, iat= 871, 875, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 58 GLN HA 58 GLN HG3 4.01 (#peak 3586 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3586, nxpk= 0, iat= 873, 879, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 58 GLN HA 58 GLN HG2 4.01 (#peak 3587 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3587, nxpk= 0, iat= 873, 878, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 63 GLN HA 63 GLN QG 3.65 (#peak 3606 #SUP 1.00)
&rst
ixpk= 3606, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 962, 963,
&end
#
# 51 TRP HE3 63 GLN QG 4.89 (#peak 3610 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3610, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 962, 963,
&end
#
# 51 TRP HZ3 63 GLN QG 4.21 (#peak 3611 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3611, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 962, 963,
&end
#
# 51 TRP HH2 63 GLN QG 4.50 (#peak 3612 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3612, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 962, 963,
&end
#
# 53 THR QG2 63 GLN QG 3.76 (#peak 3615 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3615, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 800, 801, 802,
igr2= 962, 963,
&end
#
# 52 ILE HB 63 GLN QB 5.50 (#peak 3620 #SUP 0.70 #QF 0.70)
&rst
ixpk= 3620, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 959, 960,
&end
#
# 62 PHE QE 83 GLN HB3 4.69 (#peak 3629 #SUP 0.99 #QF 0.98)
&rst
ixpk= 3629, nxpk= 0, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 945, 949,
&end
#
# 83 GLN HB3 83 GLN HE21 4.91 (#peak 3629 #SUP 0.99 #QF 0.98)
&rst
ixpk= 3629, nxpk= 0, iat=1302,1310, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 83 GLN HB2 83 GLN HE21 4.38 (#peak 3630 #SUP 0.95 #QF 0.89)
&rst
ixpk= 3630, nxpk= 0, iat=1301,1310, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 83 GLN HA 83 GLN HG3 3.28 (#peak 3645 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3645, nxpk= 0, iat=1299,1305, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 83 GLN HA 83 GLN HG2 3.28 (#peak 3646 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3646, nxpk= 0, iat=1299,1304, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 62 PHE QD 83 GLN HG3 5.50 (#peak 3653 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3653, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 943, 951,
&end
#
# 62 PHE QD 83 GLN HG2 4.69 (#peak 3654 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3654, nxpk= 0, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 943, 951,
&end
#
# 80 ALA HA 83 GLN HG2 5.09 (#peak 3661 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3661, nxpk= 0, iat=1251,1304, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 83 GLN HG3 86 GLU HG3 4.51 (#peak 3674 #SUP 0.86 #QF 0.86)
&rst
ixpk= 3674, nxpk= 0, iat=1305,1351, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 83 GLN HG2 86 GLU HG3 4.21 (#peak 3675 #SUP 0.72 #QF 0.72)
&rst
ixpk= 3675, nxpk= 0, iat=1304,1351, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 92 GLN HA 92 GLN HG3 4 (#peak 3684 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3684, nxpk= 0, iat=1451,1457, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 34 TYR HB2 92 GLN HG3 4.65 (#peak 3694 #SUP 0.67 #QF 0.29)
&rst
ixpk= 3694, nxpk= 0, iat= 507,1457, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 91 ARG HD3 92 GLN HG3 5.36 (#peak 3694 #SUP 0.67 #QF 0.29)
&rst
ixpk= 3694, nxpk= 0, iat=1436,1457, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 91 ARG HD3 92 GLN HG2 4.18 (#peak 3695 #SUP 0.76 #QF 0.76)
&rst
ixpk= 3695, nxpk= 0, iat=1436,1456, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 92 GLN QB 93 ILE HA 4.29 (#peak 3700 #SUP 0.62 #QF 0.62)
&rst
ixpk= 3700, nxpk= 0, iat= -1,1468, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1453,1454,
&end
#
# 95 GLN H 95 GLN HB3 3.73 (#peak 3706 #SUP 0.74 #QF 0.74)
&rst
ixpk= 3706, nxpk= 0, iat=1499,1504, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 95 GLN HA 95 GLN HB3 2.93 (#peak 3719 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3719, nxpk= 0, iat=1501,1504, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 95 GLN HB2 96 ALA QB 4.48 (#peak 3727 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3727, nxpk= 0, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1520,1521,1522,
&end
#
# 95 GLN HB3 96 ALA QB 5.03 (#peak 3730 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3730, nxpk= 0, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1520,1521,1522,
&end
#
# 74 GLU HB3 75 LYS QD 4.08 (#peak 3731 #SUP 0.57 #QF 0.57)
&rst
ixpk= 3731, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1181,1182,
&end
#
# 88 LEU HB3 92 GLN HG2 4.57 (#peak 3735 #SUP 0.23 #QF 0.23)
&rst
ixpk= 3735, nxpk= 0, iat=1373,1456, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 92 GLN HG3 93 ILE HB 4.63 (#peak 3736 #SUP 0.58 #QF 0.58)
&rst
ixpk= 3736, nxpk= 0, iat=1457,1470, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 92 GLN HG3 93 ILE QG2 5.27 (#peak 3740 #SUP 0.78 #QF 0.78)
&rst
ixpk= 3740, nxpk= 0, iat=1457, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1472,1473,1474,
&end
#
# 21 ASP HA 24 ARG QB 3.77 (#peak 3747 #SUP 0.71 #QF 0.71)
&rst
ixpk= 3747, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 346, 347,
&end
#
# 24 ARG H 24 ARG HG3 4.19 (#peak 3752 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3752, nxpk= 0, iat= 342, 350, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 23 TYR HB3 24 ARG HG3 3.91 (#peak 3755 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3755, nxpk= 0, iat= 326, 350, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 23 TYR HB3 24 ARG HG2 3.91 (#peak 3756 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3756, nxpk= 0, iat= 326, 349, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 6 VAL QQG 7 PRO HG3 5.00 (#peak 3775 #SUP 0.42 #QF 0.42)
&rst
ixpk= 3775, nxpk= 0, iat= 79, 97, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 43 ARG QG 44 PRO HB2 5.50 (#peak 3778 #SUP 0.66 #QF 0.66)
&rst
ixpk= 3778, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 647, 648,
&end
#
# 43 ARG HA 44 PRO HB3 5.04 (#peak 3811 #SUP 1.00)
&rst
ixpk= 3811, nxpk= 0, iat= 642, 672, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 16 SER QB 44 PRO HB2 4.67 (#peak 3813 #SUP 0.98 #QF 0.33)
&rst
ixpk= 3813, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 228, 229,
&end
#
# 7 PRO HB3 35 THR HA 4.5 (#peak 3836 #SUP 0.67 #QF 0.67)
&rst
ixpk= 3836, nxpk= 0, iat= 100, 526, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 PRO HB2 35 THR HA 5.07 (#peak 3837 #SUP 0.87 #QF 0.59)
&rst
ixpk= 3837, nxpk= 0, iat= 99, 526, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 7 PRO HB2 35 THR HB 5.50 (#peak 3837 #SUP 0.87 #QF 0.59)
&rst
ixpk= 3837, nxpk= 0, iat= 99, 528, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 VAL QQG 7 PRO HB3 5.00 (#peak 3845 #SUP 0.71 #QF 0.71)
&rst
ixpk= 3845, nxpk= 0, iat= 79, 100, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 18 ILE HG13 68 PRO HB3 4.74 (#peak 3847 #SUP 0.94 #QF 0.41)
&rst
ixpk= 3847, nxpk= 0, iat= 257,1053, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 6 VAL QQG 7 PRO HB2 5.00 (#peak 3848 #SUP 0.76 #QF 0.66)
&rst
ixpk= 3848, nxpk= 0, iat= 79, 99, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 67 PHE HA 68 PRO HB3 5.12 (#peak 3855 #SUP 0.88 #QF 0.88)
&rst
ixpk= 3855, nxpk= 0, iat=1027,1053, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 67 PHE HA 68 PRO HG3 4.38 (#peak 3856 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3856, nxpk= 0, iat=1027,1050, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 18 ILE HG12 68 PRO HB2 4.38 (#peak 3869 #SUP 0.74 #QF 0.74)
&rst
ixpk= 3869, nxpk= 0, iat= 256,1052, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 18 ILE HG12 68 PRO HB3 3.80 (#peak 3871 #SUP 1.00 #QF 0.92)
&rst
ixpk= 3871, nxpk= 0, iat= 256,1053, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 20 HIS HA 42 GLU HG2 4.98 (#peak 3911 #SUP 0.60 #QF 0.60)
&rst
ixpk= 3911, nxpk= 0, iat= 274, 632, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 14 THR HA 42 GLU HG2 4.01 (#peak 3913 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3913, nxpk= 0, iat= 196, 632, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 16 SER QB 42 GLU HG2 4.26 (#peak 3915 #SUP 0.86 #QF 0.86)
&rst
ixpk= 3915, nxpk= 0, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 228, 229,
&end
#
# 42 GLU HG2 52 ILE QD1 4.26 (#peak 3923 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3923, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 788, 789, 790,
&end
#
# 18 ILE QD1 66 LEU HB2 4.16 (#peak 3927 #SUP 0.97 #QF 0.62)
&rst
ixpk= 3927, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 259, 260, 261,
&end
#
# 10 LEU HB3 27 SER HB3 5.50 (#peak 3932 #SUP 0.94 #QF 0.80)
&rst
ixpk= 3932, nxpk= 0, iat= 137, 401, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 GLY HA3 66 LEU HB3 5.50 (#peak 3932 #SUP 0.94 #QF 0.80)
&rst
ixpk= 3932, nxpk= 0, iat= 736,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 LEU HB3 11 THR HA 4.93 (#peak 3933 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3933, nxpk= 0, iat= 137, 153, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 10 LEU HB3 27 SER HB2 5.50 (#peak 3934 #SUP 1.00 #QF 0.73)
&rst
ixpk= 3934, nxpk= 0, iat= 137, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 SER HB2 66 LEU HB3 5.50 (#peak 3934 #SUP 1.00 #QF 0.73)
&rst
ixpk= 3934, nxpk= 0, iat= 744,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ILE HG13 66 LEU HB2 4.95 (#peak 3950 #SUP 1.00 #QF 0.94)
&rst
ixpk= 3950, nxpk= 0, iat= 786,1010, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 52 ILE QD1 66 LEU HB2 5.41 (#peak 3950 #SUP 1.00 #QF 0.94)
&rst
ixpk= 3950, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 788, 789, 790,
&end
#
# 52 ILE HG13 66 LEU HB3 4.81 (#peak 3951 #SUP 1.00 #QF 0.97)
&rst
ixpk= 3951, nxpk= 0, iat= 786,1011, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 52 ILE QD1 66 LEU HB3 5.13 (#peak 3951 #SUP 1.00 #QF 0.97)
&rst
ixpk= 3951, nxpk= 0, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 788, 789, 790,
&end
#
# 52 ILE HG13 66 LEU QD2 4.00 (#peak 3954 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3954, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1019,1020,1021,
&end
#
# 66 LEU HB3 66 LEU QD2 3.18 (#peak 3957 #SUP 0.99 #QF 0.97)
&rst
ixpk= 3957, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1019,1020,1021,
&end
#
# 66 LEU HB2 66 LEU QD2 3.32 (#peak 3959 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3959, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1019,1020,1021,
&end
#
# 66 LEU QD2 73 PHE QD 3.69 (#peak 3960 #SUP 0.92 #QF 0.85)
&rst
ixpk= 3960, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1019,1020,1021,
igr2=1144,1152,
&end
#
# 22 PHE QD 66 LEU QD2 3.55 (#peak 3961 #SUP 0.88 #QF 0.88)
&rst
ixpk= 3961, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 309, 317,
igr2=1019,1020,1021,
&end
#
# 66 LEU QD2 67 PHE H 4.68 (#peak 3962 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3962, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1019,1020,1021,
&end
#
# 66 LEU H 66 LEU QD2 4.28 (#peak 3963 #SUP 0.57 #QF 0.57)
&rst
ixpk= 3963, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1019,1020,1021,
&end
#
# 66 LEU HA 66 LEU QD2 3.84 (#peak 3972 #SUP 0.96 #QF 0.90)
&rst
ixpk= 3972, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1019,1020,1021,
&end
#
# 66 LEU HA 66 LEU QD1 3.84 (#peak 3974 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3974, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1015,1016,1017,
&end
#
# 66 LEU HG 76 THR QG2 3.87 (#peak 3981 #SUP 1.00 #QF 0.99)
&rst
ixpk= 3981, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1199,1200,1201,
&end
#
# 66 LEU HA 66 LEU HG 4.21 (#peak 3982 #SUP 1.00)
&rst
ixpk= 3982, nxpk= 0, iat=1008,1013, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 66 LEU HB3 66 LEU QD1 3.18 (#peak 3989 #SUP 0.99 #QF 0.94)
&rst
ixpk= 3989, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1015,1016,1017,
&end
#
# 66 LEU HB2 66 LEU QD1 3.32 (#peak 3991 #SUP 0.95 #QF 0.27)
&rst
ixpk= 3991, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1015,1016,1017,
&end
#
# 52 ILE HG13 66 LEU QD1 4.00 (#peak 3993 #SUP 0.97 #QF 0.90)
&rst
ixpk= 3993, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1015,1016,1017,
&end
#
# 66 LEU H 66 LEU QD1 4.28 (#peak 3995 #SUP 0.73 #QF 0.73)
&rst
ixpk= 3995, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1015,1016,1017,
&end
#
# 88 LEU HB2 93 ILE HG13 4.00 (#peak 4023 #SUP 0.40 #QF 0.40)
&rst
ixpk= 4023, nxpk= 0, iat=1372,1477, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 62 PHE QD 83 GLN HB2 4.28 (#peak 4071 #SUP 0.35 #QF 0.35)
&rst
ixpk= 4071, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 943, 951,
&end
#
# 85 GLU H 85 GLU HB3 3.67 (#peak 4076 #SUP 0.92 #QF 0.92)
&rst
ixpk= 4076, nxpk= 0, iat=1328,1333, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 85 GLU HB3 86 GLU H 4.32 (#peak 4077 #SUP 0.77 #QF 0.77)
&rst
ixpk= 4077, nxpk= 0, iat=1333,1343, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 62 PHE QD 83 GLN HB3 4.22 (#peak 4081 #SUP 0.55 #QF 0.55)
&rst
ixpk= 4081, nxpk= 0, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 943, 951,
&end
#
# 75 LYS HB3 76 THR H 4.19 (#peak 4090 #SUP 1.00)
&rst
ixpk= 4090, nxpk= 0, iat=1176,1193, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 74 GLU HB3 75 LYS HA 4.12 (#peak 4097 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4097, nxpk= 0, iat=1161,1173, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 75 LYS HA 75 LYS HG2 4.05 (#peak 4101 #SUP 1.00)
&rst
ixpk= 4101, nxpk= 0, iat=1173,1178, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 75 LYS HA 75 LYS HG3 4.03 (#peak 4102 #SUP 1.00)
&rst
ixpk= 4102, nxpk= 0, iat=1173,1179, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 75 LYS HG2 75 LYS QE 3.45 (#peak 4106 #SUP 1.00)
&rst
ixpk= 4106, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1184,1185,
&end
#
# 74 GLU HB3 75 LYS HG2 5.50 (#peak 4114 #SUP 0.92 #QF 0.92)
&rst
ixpk= 4114, nxpk= 0, iat=1161,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 GLU HB3 75 LYS HG3 3.88 (#peak 4115 #SUP 0.74 #QF 0.74)
&rst
ixpk= 4115, nxpk= 0, iat=1161,1179, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 74 GLU HB2 75 LYS HG3 5.50 (#peak 4116 #SUP 0.87 #QF 0.87)
&rst
ixpk= 4116, nxpk= 0, iat=1160,1179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ASP HB3 75 LYS QD 4.34 (#peak 4122 #SUP 0.35 #QF 0.35)
&rst
ixpk= 4122, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1181,1182,
&end
#
# 74 GLU HB2 75 LYS QD 4.58 (#peak 4124 #SUP 0.72 #QF 0.72)
&rst
ixpk= 4124, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1181,1182,
&end
#
# 75 LYS HG3 75 LYS QD 2.56 (#peak 4125 #SUP 0.88 #QF 0.88)
&rst
ixpk= 4125, nxpk= 0, iat=1179, -1, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,
igr2=1181,1182,
&end
#
# 75 LYS HG2 75 LYS QD 2.71 (#peak 4126 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4126, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr2=1181,1182,
&end
#
# 72 ASP H 75 LYS QD 4.86 (#peak 4131 #SUP 0.79 #QF 0.58)
&rst
ixpk= 4131, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1181,1182,
&end
#
# 73 PHE H 75 LYS QD 5.28 (#peak 4131 #SUP 0.79 #QF 0.58)
&rst
ixpk= 4131, nxpk= 0, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1181,1182,
&end
#
# 72 ASP HA 75 LYS QD 4.17 (#peak 4134 #SUP 0.58 #QF 0.58)
&rst
ixpk= 4134, nxpk= 0, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1181,1182,
&end
#
# 75 LYS HB3 75 LYS QD 3.26 (#peak 4138 #SUP 0.96 #QF 0.96)
&rst
ixpk= 4138, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1181,1182,
&end
#
# 75 LYS HB2 75 LYS QD 3.54 (#peak 4139 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4139, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1181,1182,
&end
#
# 75 LYS HA 75 LYS QE 4.24 (#peak 4140 #SUP 0.97 #QF 0.97)
&rst
ixpk= 4140, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1184,1185,
&end
#
# 75 LYS QD 75 LYS QE 2.51 (#peak 4141 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4141, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
igr1=1181,1182,
igr2=1184,1185,
&end
#
# 75 LYS HG3 75 LYS QE 3.26 (#peak 4142 #SUP 0.82 #QF 0.82)
&rst
ixpk= 4142, nxpk= 0, iat=1179, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1184,1185,
&end
#
# 75 LYS HB2 75 LYS QE 4.02 (#peak 4144 #SUP 0.88 #QF 0.88)
&rst
ixpk= 4144, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=1184,1185,
&end
#
# 75 LYS HB3 75 LYS QE 4.48 (#peak 4145 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4145, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1184,1185,
&end
#
# 74 GLU HA 75 LYS QE 5.17 (#peak 4150 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4150, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1184,1185,
&end
#
# 75 LYS HA 75 LYS QD 4.13 (#peak 4159 #SUP 0.97 #QF 0.97)
&rst
ixpk= 4159, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1181,1182,
&end
#
# 14 THR HB 42 GLU HB2 4.39 (#peak 4160 #SUP 0.92 #QF 0.92)
&rst
ixpk= 4160, nxpk= 0, iat= 198, 629, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 42 GLU HB2 50 SER HA 4.68 (#peak 4161 #SUP 0.70 #QF 0.70)
&rst
ixpk= 4161, nxpk= 0, iat= 629, 742, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 16 SER QB 42 GLU HB2 4.85 (#peak 4163 #SUP 0.97 #QF 0.58)
&rst
ixpk= 4163, nxpk= 0, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 228, 229,
&end
#
# 29 LYS HA 29 LYS QG 3.52 (#peak 4173 #SUP 0.98 #QF 0.98)
&rst
ixpk= 4173, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 426, 427,
&end
#
# 28 ASP HB2 29 LYS QD 4.42 (#peak 4175 #SUP 0.65 #QF 0.65)
&rst
ixpk= 4175, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 429, 430,
&end
#
# 29 LYS HA 29 LYS QD 4.37 (#peak 4176 #SUP 0.64 #QF 0.64)
&rst
ixpk= 4176, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 429, 430,
&end
#
# 6 VAL HB 7 PRO HD3 3.55 (#peak 4192 #SUP 1.00 #QF 0.80)
&rst
ixpk= 4192, nxpk= 0, iat= 80, 94, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 103 LEU HG 104 ALA HA 3.48 (#peak 4196 #SUP 0.63 #QF 0.63)
&rst
ixpk= 4196, nxpk= 0, iat=1615,1629, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 24 ARG HA 24 ARG HG3 4.03 (#peak 4198 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4198, nxpk= 0, iat= 344, 350, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 26 PHE HZ 30 TRP HH2 4.13 (#peak 20 #SUP 0.72 #QF 0.72)
&rst
ixpk= 20, nxpk= 0, iat= 388, 456, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 26 PHE HZ 40 ILE QG1 5.36 (#peak 21 #SUP 0.93 #QF 0.71)
&rst
ixpk= 21, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 602, 603,
&end
#
# 26 PHE HZ 80 ALA QB 5.50 (#peak 21 #SUP 0.93 #QF 0.71)
&rst
ixpk= 21, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1253,1254,1255,
&end
#
# 26 PHE HZ 84 THR QG2 4.14 (#peak 24 #SUP 0.31 #QF 0.31)
&rst
ixpk= 24, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1320,1321,1322,
&end
#
# 10 LEU HB3 23 TYR QE 3.94 (#peak 31 #SUP 0.75 #QF 0.75)
&rst
ixpk= 31, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 331, 336,
&end
#
# 23 TYR QE 40 ILE HB 4.43 (#peak 34 #SUP 0.74 #QF 0.74)
&rst
ixpk= 34, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 331, 336,
&end
#
# 12 ASP HA 23 TYR QE 4.34 (#peak 36 #SUP 0.96 #QF 0.76)
&rst
ixpk= 36, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 331, 336,
&end
#
# 26 PHE QE 38 LEU QD2 4.31 (#peak 47 #SUP 0.98 #QF 0.91)
&rst
ixpk= 47, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 386, 390,
igr2= 572, 573, 574,
&end
#
# 22 PHE QE 26 PHE QD 3.98 (#peak 48 #SUP 0.73 #QF 0.73)
&rst
ixpk= 48, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 311, 315,
igr2= 384, 392,
&end
#
# 26 PHE QD 29 LYS QG 5.50 (#peak 51 #SUP 0.91 #QF 0.30)
&rst
ixpk= 51, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 384, 392,
igr2= 426, 427,
&end
#
# 26 PHE QE 81 LEU HB3 5.50 (#peak 51 #SUP 0.91 #QF 0.30)
&rst
ixpk= 51, nxpk= 0, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 386, 390,
&end
#
# 30 TRP HZ2 34 TYR QE 3.41 (#peak 54 #SUP 1.00 #QF 0.33)
&rst
ixpk= 54, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 513, 518,
&end
#
# 32 SER HA 34 TYR QE 4.53 (#peak 57 #SUP 0.89 #QF 0.34)
&rst
ixpk= 57, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 513, 518,
&end
#
# 34 TYR QE 36 GLY HA3 4.81 (#peak 57 #SUP 0.89 #QF 0.34)
&rst
ixpk= 57, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 513, 518,
&end
#
# 34 TYR QE 36 GLY HA2 4.36 (#peak 58 #SUP 0.67 #QF 0.67)
&rst
ixpk= 58, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 513, 518,
&end
#
# 34 TYR QE 56 VAL QQG 3.81 (#peak 61 #SUP 0.76 #QF 0.69)
&rst
ixpk= 61, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 513, 518,
&end
#
# 22 PHE QE 52 ILE HG13 4.14 (#peak 66 #SUP 0.59 #QF 0.59)
&rst
ixpk= 66, nxpk= 0, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 311, 315,
&end
#
# 22 PHE QE 40 ILE QG1 3.99 (#peak 68 #SUP 1.00 #QF 0.98)
&rst
ixpk= 68, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 311, 315,
igr2= 602, 603,
&end
#
# 30 TRP HH2 85 GLU HA 4.47 (#peak 77 #SUP 0.87 #QF 0.87)
&rst
ixpk= 77, nxpk= 0, iat= 456,1330, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 30 TRP HH2 38 LEU QD2 4.87 (#peak 78 #SUP 0.92 #QF 0.92)
&rst
ixpk= 78, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 572, 573, 574,
&end
#
# 30 TRP HH2 88 LEU QD1 4.89 (#peak 79 #SUP 0.21 #QF 0.21)
&rst
ixpk= 79, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1377,1378,1379,
&end
#
# 30 TRP HH2 84 THR QG2 4.00 (#peak 80 #SUP 0.74 #QF 0.74)
&rst
ixpk= 80, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1320,1321,1322,
&end
#
# 22 PHE QD 73 PHE QD 4.72 (#peak 84 #SUP 0.88 #QF 0.36)
&rst
ixpk= 84, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 309, 317,
igr2=1144,1152,
&end
#
# 22 PHE QD 73 PHE QE 4.89 (#peak 84 #SUP 0.88 #QF 0.36)
&rst
ixpk= 84, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 309, 317,
igr2=1146,1150,
&end
#
# 22 PHE HA 22 PHE QD 4.12 (#peak 87 #SUP 0.80 #QF 0.80)
&rst
ixpk= 87, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 309, 317,
&end
#
# 22 PHE QD 52 ILE QG2 3.53 (#peak 90 #SUP 0.79 #QF 0.79)
&rst
ixpk= 90, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 309, 317,
igr2= 781, 782, 783,
&end
#
# 22 PHE QD 66 LEU QD1 3.55 (#peak 91 #SUP 0.93 #QF 0.93)
&rst
ixpk= 91, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 309, 317,
igr2=1015,1016,1017,
&end
#
# 22 PHE QD 40 ILE QG1 4.32 (#peak 92 #SUP 1.00 #QF 0.98)
&rst
ixpk= 92, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 309, 317,
igr2= 602, 603,
&end
#
# 22 PHE QD 76 THR QG2 4.64 (#peak 92 #SUP 1.00 #QF 0.98)
&rst
ixpk= 92, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 309, 317,
igr2=1199,1200,1201,
&end
#
# 23 TYR H 23 TYR QD 4.19 (#peak 97 #SUP 0.65 #QF 0.65)
&rst
ixpk= 97, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 329, 338,
&end
#
# 23 TYR QD 24 ARG HA 3.99 (#peak 103 #SUP 0.86 #QF 0.86)
&rst
ixpk= 103, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 329, 338,
&end
#
# 10 LEU HB3 23 TYR QD 4.38 (#peak 108 #SUP 0.96 #QF 0.59)
&rst
ixpk= 108, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 329, 338,
&end
#
# 23 TYR QD 40 ILE QG1 4.75 (#peak 108 #SUP 0.96 #QF 0.59)
&rst
ixpk= 108, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 329, 338,
igr2= 602, 603,
&end
#
# 21 ASP HB2 73 PHE HZ 4.21 (#peak 114 #SUP 0.45 #QF 0.45)
&rst
ixpk= 114, nxpk= 0, iat= 293,1148, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 22 PHE HA 73 PHE HZ 4.04 (#peak 115 #SUP 0.81 #QF 0.81)
&rst
ixpk= 115, nxpk= 0, iat= 303,1148, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 62 PHE QD 80 ALA QB 4.19 (#peak 122 #SUP 0.87 #QF 0.87)
&rst
ixpk= 122, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 943, 951,
igr2=1253,1254,1255,
&end
#
# 54 ILE QG2 62 PHE QD 4.02 (#peak 123 #SUP 0.95 #QF 0.95)
&rst
ixpk= 123, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 814, 815, 816,
igr2= 943, 951,
&end
#
# 10 LEU QD2 30 TRP HD1 4.58 (#peak 136 #SUP 0.96 #QF 0.96)
&rst
ixpk= 136, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 145, 146, 147,
&end
#
# 30 TRP HA 30 TRP HZ3 4.50 (#peak 138 #SUP 0.96 #QF 0.96)
&rst
ixpk= 138, nxpk= 0, iat= 443, 458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 PHE HA 108 PHE QD 4.16 (#peak 143 #SUP 0.97 #QF 0.97)
&rst
ixpk= 143, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1689,1697,
&end
#
# 34 TYR QD 36 GLY H 4.21 (#peak 154 #SUP 0.87 #QF 0.87)
&rst
ixpk= 154, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 511, 520,
&end
#
# 34 TYR HA 34 TYR QD 3.84 (#peak 157 #SUP 1.00)
&rst
ixpk= 157, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 511, 520,
&end
#
# 34 TYR QD 93 ILE HG13 5.15 (#peak 162 #SUP 0.76 #QF 0.76)
&rst
ixpk= 162, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 511, 520,
&end
#
# 34 TYR QD 56 VAL QQG 4.20 (#peak 163 #SUP 0.83 #QF 0.83)
&rst
ixpk= 163, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 511, 520,
&end
#
# 62 PHE QE 83 GLN HG2 4.50 (#peak 170 #SUP 0.65 #QF 0.65)
&rst
ixpk= 170, nxpk= 0, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 945, 949,
&end
#
# 54 ILE QG2 62 PHE QE 4.21 (#peak 172 #SUP 0.95 #QF 0.95)
&rst
ixpk= 172, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 814, 815, 816,
igr2= 945, 949,
&end
#
# 13 HIS HA 13 HIS HD2 3.54 (#peak 177 #SUP 0.73 #QF 0.73)
&rst
ixpk= 177, nxpk= 0, iat= 179, 190, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 11 THR QG2 13 HIS HD2 3.64 (#peak 180 #SUP 0.62 #QF 0.62)
&rst
ixpk= 180, nxpk= 0, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 157, 158, 159,
&end
#
# 48 ALA QB 67 PHE HZ 4.40 (#peak 196 #SUP 0.40 #QF 0.40)
&rst
ixpk= 196, nxpk= 0, iat= -1,1037, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 727, 728, 729,
&end
#
# 66 LEU HA 67 PHE QD 4.11 (#peak 219 #SUP 0.51 #QF 0.51)
&rst
ixpk= 219, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1033,1041,
&end
#
# 18 ILE QD1 67 PHE QD 4.97 (#peak 221 #SUP 0.50 #QF 0.50)
&rst
ixpk= 221, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 259, 260, 261,
igr2=1033,1041,
&end
#
# 107 GLU HA 108 PHE QD 4.56 (#peak 265 #SUP 0.60 #QF 0.60)
&rst
ixpk= 265, nxpk= 0, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1689,1697,
&end
#
# 51 TRP HA 51 TRP HE3 4.07 (#peak 271 #SUP 0.91 #QF 0.91)
&rst
ixpk= 271, nxpk= 0, iat= 753, 770, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 34 TYR QE 61 ILE QD1 4.97 (#peak 277 #SUP 0.65 #QF 0.65)
&rst
ixpk= 277, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 513, 518,
igr2= 929, 930, 931,
&end
#
# 3 GLU H 3 GLU QB 3.50 (#peak 460)
&rst
ixpk= 460, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 34, 35,
&end
#
# 3 GLU H 3 GLU QG 5 (#peak 459)
&rst
ixpk= 459, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 37, 38,
&end
#
# 3 GLU HA 3 GLU QG 4 (#peak 270)
&rst
ixpk= 270, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 37, 38,
&end
#
# 3 GLU QB 4 VAL H 5.00 (#peak 984)
&rst
ixpk= 984, nxpk= 0, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 34, 35,
&end
#
# 3 GLU QG 4 VAL H 5.00 (#peak 986)
&rst
ixpk= 986, nxpk= 0, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 37, 38,
&end
#
# 4 VAL QQG 5 GLU QG 5 (#peak 261)
&rst
ixpk= 261, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 68, 69,
&end
#
# 5 GLU H 5 GLU QB 4 (#peak 1435)
&rst
ixpk= 1435, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 65, 66,
&end
#
# 5 GLU H 5 GLU QG 4 (#peak 636)
&rst
ixpk= 636, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 68, 69,
&end
#
# 5 GLU QB 6 VAL H 5 (#peak 249)
&rst
ixpk= 249, nxpk= 0, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 65, 66,
&end
#
# 5 GLU QG 6 VAL H 5 (#peak 1773)
&rst
ixpk= 1773, nxpk= 0, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 68, 69,
&end
#
# 7 PRO HB2 9 LEU QQD 5.09 (#peak 3848)
&rst
ixpk= 3848, nxpk= 0, iat= 99, 119, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79, &end
#
# 7 PRO HB2 37 ASN QB 5.18 (#peak 3843)
&rst
ixpk= 3843, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 549, 550,
&end
#
# 8 GLY HA2 9 LEU QQD 5 (#peak 1392)
&rst
ixpk= 1392, nxpk= 0, iat= 108, 119, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 9 LEU H 9 LEU QQD 3.20 (#peak 1385)
&rst
ixpk= 1385, nxpk= 0, iat= 113, 119, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 9 LEU HA 9 LEU QQD 3.40 (#peak 1877)
&rst
ixpk= 1877, nxpk= 0, iat= 115, 119, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 9 LEU QB 9 LEU QQD 2.58 (#peak 1380)
&rst
ixpk= 1380, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 117, 118,
&end
#
# 9 LEU QB 37 ASN QB 4.80 (#peak 369)
&rst
ixpk= 369, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 117, 118,
igr2= 549, 550,
&end
#
# 9 LEU QQD 10 LEU H 3.67 (#peak 794)
&rst
ixpk= 794, nxpk= 0, iat= 119, 132, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 9 LEU QQD 10 LEU HA 3.99 (#peak 1860)
&rst
ixpk= 1860, nxpk= 0, iat= 119, 134, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, &end
#
# 9 LEU QQD 11 THR H 4.45 (#peak 1821)
&rst
ixpk= 1821, nxpk= 0, iat= 119, 151, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15, &end
#
# 9 LEU QQD 37 ASN H 5 (#peak 801)
&rst
ixpk= 801, nxpk= 0, iat= 119, 545, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 9 LEU QQD 37 ASN QB 3.70 (#peak 1934)
&rst
ixpk= 1934, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 549, 550,
&end
#
# 9 LEU QD1 37 ASN HB3 6.04 (#peak 1934)
&rst
ixpk= 1934, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 122, 123, 124,
&end
#
# 9 LEU QD2 37 ASN HB2 6.04 (#peak 1934)
&rst
ixpk= 1934, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 126, 127, 128,
&end
#
# 9 LEU QQD 37 ASN HD21 4.51 (#peak 1970)
&rst
ixpk= 1970, nxpk= 0, iat= 119, 555, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, &end
#
# 9 LEU QQD 37 ASN HD22 4.94 (#peak 1622)
&rst
ixpk= 1622, nxpk= 0, iat= 119, 554, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, &end
#
# 9 LEU QQD 38 LEU H 3.68 (#peak 1786)
&rst
ixpk= 1786, nxpk= 0, iat= 119, 559, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 9 LEU QQD 38 LEU HB2 4.90 (#peak 379)
&rst
ixpk= 379, nxpk= 0, iat= 119, 563, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60, &end
#
# 9 LEU QQD 38 LEU HB3 4.75 (#peak 380)
&rst
ixpk= 380, nxpk= 0, iat= 119, 564, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, &end
#
# 9 LEU QQD 39 THR H 4.49 (#peak 294)
&rst
ixpk= 294, nxpk= 0, iat= 119, 578, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, &end
#
# 9 LEU QQD 39 THR HA 4.35 (#peak 1621)
&rst
ixpk= 1621, nxpk= 0, iat= 119, 580, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, &end
#
# 9 LEU QQD 39 THR HB 3.97 (#peak 1902)
&rst
ixpk= 1902, nxpk= 0, iat= 119, 582, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, &end
#
# 9 LEU QQD 57 ASN H 4.37 (#peak 80)
&rst
ixpk= 80, nxpk= 0, iat= 119, 857, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, &end
#
# 9 LEU QQD 57 ASN HA 3.81 (#peak 1886)
&rst
ixpk= 1886, nxpk= 0, iat= 119, 859, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 9 LEU QQD 57 ASN HB3 5.07 (#peak 1936)
&rst
ixpk= 1936, nxpk= 0, iat= 119, 862, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, &end
#
# 9 LEU QQD 57 ASN HD22 4.84 (#peak 1925)
&rst
ixpk= 1925, nxpk= 0, iat= 119, 866, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54, &end
#
# 10 LEU H 38 LEU QQD 4.55 (#peak 771)
&rst
ixpk= 771, nxpk= 0, iat= 132, 565, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 10 LEU HA 38 LEU QQD 4.26 (#peak 1264)
&rst
ixpk= 1264, nxpk= 0, iat= 134, 565, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, &end
#
# 10 LEU HB2 27 SER QB 5.02 (#peak 1693)
&rst
ixpk= 1693, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 400, 401,
&end
#
# 10 LEU HB2 38 LEU QQD 4.60 (#peak 1292)
&rst
ixpk= 1292, nxpk= 0, iat= 136, 565, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 10 LEU HB3 27 SER QB 4.77 (#peak 3934)
&rst
ixpk= 3934, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 400, 401,
&end
#
# 10 LEU HG 38 LEU QQD 3.30 (#peak 1286)
&rst
ixpk= 1286, nxpk= 0, iat= 139, 565, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 LEU QD1 27 SER QB 3.08 (#peak 1351)
&rst
ixpk= 1351, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 141, 142, 143,
igr2= 400, 401,
&end
#
# 10 LEU QD1 38 LEU QQD 2.70 (#peak 1298)
&rst
ixpk= 1298, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 141, 142, 143,
&end
#
# 10 LEU QD2 27 SER QB 3.59 (#peak 1350)
&rst
ixpk= 1350, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 145, 146, 147,
igr2= 400, 401,
&end
#
# 10 LEU QD2 30 TRP QB 4.34 (#peak 1357)
&rst
ixpk= 1357, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 145, 146, 147,
igr2= 445, 446,
&end
#
# 14 THR HA 15 VAL QQG 3.70 (#peak 2169)
&rst
ixpk= 2169, nxpk= 0, iat= 196, 211, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 15 VAL H 15 VAL QQG 3.08 (#peak 2157)
&rst
ixpk= 2157, nxpk= 0, iat= 208, 211, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 15 VAL QQG 42 GLU H 4.91 (#peak 2160)
&rst
ixpk= 2160, nxpk= 0, iat= 211, 625, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61, &end
#
# 15 VAL QQG 42 GLU HG3 3.86 (#peak 2525)
&rst
ixpk= 2525, nxpk= 0, iat= 211, 633, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 15 VAL QQG 43 ARG HA 5.00 (#peak 2166)
&rst
ixpk= 2166, nxpk= 0, iat= 211, 642, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 15 VAL QQG 44 PRO HB2 4.39 (#peak 2456)
&rst
ixpk= 2456, nxpk= 0, iat= 211, 671, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, &end
#
# 15 VAL QQG 44 PRO HB3 4.27 (#peak 3816)
&rst
ixpk= 3816, nxpk= 0, iat= 211, 672, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, &end
#
# 15 VAL QQG 44 PRO HG2 5.00 (#peak 3799)
&rst
ixpk= 3799, nxpk= 0, iat= 211, 668, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 15 VAL QQG 44 PRO HG3 5.00 (#peak 3780)
&rst
ixpk= 3780, nxpk= 0, iat= 211, 669, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 15 VAL QQG 44 PRO HD2 4.40 (#peak 2174)
&rst
ixpk= 2174, nxpk= 0, iat= 211, 665, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 15 VAL QQG 44 PRO HD3 4.40 (#peak 789)
&rst
ixpk= 789, nxpk= 0, iat= 211, 666, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 18 ILE HB 66 LEU QQD 4.05 (#peak 3294)
&rst
ixpk= 3294, nxpk= 0, iat= 250,1012, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 18 ILE QG2 68 PRO QG 4.33 (#peak 3863)
&rst
ixpk= 3863, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 252, 253, 254,
igr2=1049,1050,
&end
#
# 18 ILE QD1 68 PRO QG 4.08 (#peak 3255)
&rst
ixpk= 3255, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 259, 260, 261,
igr2=1049,1050,
&end
#
# 19 GLY HA2 66 LEU QQD 3.96 (#peak 3977)
&rst
ixpk= 3977, nxpk= 0, iat= 267,1012, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 19 GLY HA3 66 LEU QQD 4.29 (#peak 201)
&rst
ixpk= 201, nxpk= 0, iat= 268,1012, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, &end
#
# 22 PHE H 66 LEU QQD 4.19 (#peak 321)
&rst
ixpk= 321, nxpk= 0, iat= 301,1012, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, &end
#
# 22 PHE HA 77 VAL QQG 3.29 (#peak 491)
&rst
ixpk= 491, nxpk= 0, iat= 303,1210, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 22 PHE HB2 66 LEU QQD 3.74 (#peak 3978)
&rst
ixpk= 3978, nxpk= 0, iat= 305,1012, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 22 PHE QD 66 LEU QQD 3.09 (#peak 91)
&rst
ixpk= 91, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 309, 317,
&end
#
# 22 PHE QD 77 VAL QQG 4.52 (#peak 840)
&rst
ixpk= 840, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 309, 317,
&end
#
# 22 PHE QE 77 VAL QQG 4.39 (#peak 839)
&rst
ixpk= 839, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 311, 315,
&end
#
# 22 PHE HZ 77 VAL QQG 4.92 (#peak 839)
&rst
ixpk= 839, nxpk= 0, iat= 313,1210, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, &end
#
# 23 TYR HB3 24 ARG QG 3.27 (#peak 3755)
&rst
ixpk= 3755, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 349, 350,
&end
#
# 23 TYR QD 24 ARG QG 4.10 (#peak 107)
&rst
ixpk= 107, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 329, 338,
igr2= 349, 350,
&end
#
# 23 TYR QD 27 SER QB 4.93 (#peak 725)
&rst
ixpk= 725, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 329, 338,
igr2= 400, 401,
&end
#
# 24 ARG H 24 ARG QG 3.44 (#peak 467)
&rst
ixpk= 467, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 349, 350,
&end
#
# 24 ARG HA 24 ARG QG 3.48 (#peak 2312)
&rst
ixpk= 2312, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 349, 350,
&end
#
# 24 ARG HA 27 SER QB 4.39 (#peak 718)
&rst
ixpk= 718, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 400, 401,
&end
#
# 24 ARG QG 25 ALA H 4 (#peak 1093)
&rst
ixpk= 1093, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 349, 350,
&end
#
# 25 ALA H 77 VAL QQG 4.47 (#peak 1089)
&rst
ixpk= 1089, nxpk= 0, iat= 366,1210, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, &end
#
# 25 ALA HA 77 VAL QQG 4.69 (#peak 847)
&rst
ixpk= 847, nxpk= 0, iat= 368,1210, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, &end
#
# 26 PHE H 77 VAL QQG 3.36 (#peak 831)
&rst
ixpk= 831, nxpk= 0, iat= 376,1210, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 26 PHE HA 29 LYS QB 5.34 (#peak 4170)
&rst
ixpk= 4170, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 423, 424,
&end
#
# 26 PHE HA 77 VAL QQG 3.23 (#peak 849)
&rst
ixpk= 849, nxpk= 0, iat= 378,1210, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 26 PHE HB3 77 VAL QQG 4.07 (#peak 853)
&rst
ixpk= 853, nxpk= 0, iat= 381,1210, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, &end
#
# 26 PHE QD 77 VAL QQG 3.98 (#peak 841)
&rst
ixpk= 841, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 384, 392,
&end
#
# 26 PHE QE 38 LEU QQD 3.71 (#peak 47)
&rst
ixpk= 47, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 386, 390,
&end
#
# 27 SER H 27 SER QB 3.08 (#peak 558)
&rst
ixpk= 558, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 400, 401,
&end
#
# 27 SER HA 30 TRP QB 3.75 (#peak 31)
&rst
ixpk= 31, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 445, 446,
&end
#
# 27 SER HA 38 LEU QQD 5.41 (#peak 1305)
&rst
ixpk= 1305, nxpk= 0, iat= 398, 565, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, &end
#
# 27 SER QB 28 ASP H 3.59 (#peak 1150)
&rst
ixpk= 1150, nxpk= 0, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 400, 401,
&end
#
# 27 SER QB 30 TRP HD1 5.15 (#peak 724)
&rst
ixpk= 724, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 400, 401,
&end
#
# 27 SER QB 40 ILE QD1 5.34 (#peak 594)
&rst
ixpk= 594, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 400, 401,
igr2= 605, 606, 607,
&end
#
# 29 LYS H 29 LYS QB 3.42 (#peak 2506)
&rst
ixpk= 2506, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 423, 424,
&end
#
# 29 LYS H 30 TRP QB 4.35 (#peak 1648)
&rst
ixpk= 1648, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 445, 446,
&end
#
# 29 LYS H 77 VAL QQG 4.95 (#peak 1654)
&rst
ixpk= 1654, nxpk= 0, iat= 419,1210, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, &end
#
# 29 LYS QB 29 LYS QD 2.79 (#peak 3016)
&rst
ixpk= 3016, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 423, 424,
igr2= 429, 430,
&end
#
# 29 LYS QB 30 TRP H 3.95 (#peak 1695)
&rst
ixpk= 1695, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 423, 424,
&end
#
# 29 LYS QB 81 LEU QD1 3.08 (#peak 1144)
&rst
ixpk= 1144, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 423, 424,
igr2=1268,1269,1270,
&end
#
# 29 LYS QB 81 LEU QD2 3.39 (#peak 994)
&rst
ixpk= 994, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 423, 424,
igr2=1272,1273,1274,
&end
#
# 29 LYS QG 77 VAL QQG 4.29 (#peak 859)
&rst
ixpk= 859, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 426, 427,
&end
#
# 29 LYS QD 77 VAL QQG 4.07 (#peak 858)
&rst
ixpk= 858, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 429, 430,
&end
#
# 29 LYS QD 78 VAL QQG 5.13 (#peak 1005)
&rst
ixpk= 1005, nxpk= 0, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
igr1= 429, 430,
&end
#
# 29 LYS QE 77 VAL QQG 4.70 (#peak 851)
&rst
ixpk= 851, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr1= 432, 433,
&end
#
# 29 LYS QE 78 VAL QQG 3.76 (#peak 980)
&rst
ixpk= 980, nxpk= 0, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 432, 433,
&end
#
# 30 TRP QB 30 TRP HD1 3.31 (#peak 54)
&rst
ixpk= 54, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 445, 446,
&end
#
# 30 TRP QB 31 GLU H 4.00 (#peak 1543)
&rst
ixpk= 1543, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 445, 446,
&end
#
# 30 TRP QB 81 LEU QD1 5.28 (#peak 1162)
&rst
ixpk= 1162, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 445, 446,
igr2=1268,1269,1270,
&end
#
# 30 TRP QB 81 LEU QD2 3.49 (#peak 517)
&rst
ixpk= 517, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 445, 446,
igr2=1272,1273,1274,
&end
#
# 30 TRP HD1 38 LEU QQD 4.19 (#peak 1277)
&rst
ixpk= 1277, nxpk= 0, iat= 449, 565, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, &end
#
# 30 TRP HE1 32 SER QB 4.15 (#peak 57)
&rst
ixpk= 57, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 484, 485,
&end
#
# 30 TRP HE1 38 LEU QQD 3.75 (#peak 60)
&rst
ixpk= 60, nxpk= 0, iat= 451, 565, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 30 TRP HZ3 32 SER QB 4.63 (#peak 1731)
&rst
ixpk= 1731, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 484, 485,
&end
#
# 30 TRP HZ3 38 LEU QQD 3.97 (#peak 1276)
&rst
ixpk= 1276, nxpk= 0, iat= 458, 565, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, &end
#
# 30 TRP HZ3 85 GLU QB 4.83 (#peak 3552)
&rst
ixpk= 3552, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1332,1333,
&end
#
# 30 TRP HZ3 85 GLU QG 4.60 (#peak 2553)
&rst
ixpk= 2553, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1335,1336,
&end
#
# 30 TRP HZ2 32 SER QB 3.97 (#peak 183)
&rst
ixpk= 183, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 484, 485,
&end
#
# 30 TRP HZ2 38 LEU QQD 3.08 (#peak 1274)
&rst
ixpk= 1274, nxpk= 0, iat= 454, 565, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 30 TRP HH2 38 LEU QQD 3.92 (#peak 1273)
&rst
ixpk= 1273, nxpk= 0, iat= 456, 565, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end
#
# 30 TRP HH2 88 LEU QQD 3.80 (#peak 79)
&rst
ixpk= 79, nxpk= 0, iat= 456,1374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 GLU H 31 GLU QB 3.20 (#peak 1846)
&rst
ixpk= 1846, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 469, 470,
&end
#
# 31 GLU HA 32 SER QB 5.11 (#peak 1735)
&rst
ixpk= 1735, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 484, 485,
&end
#
# 31 GLU QB 32 SER H 4.11 (#peak 1582)
&rst
ixpk= 1582, nxpk= 0, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 469, 470,
&end
#
# 32 SER H 32 SER QB 3.41 (#peak 1728)
&rst
ixpk= 1728, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 484, 485,
&end
#
# 32 SER HA 33 ASP QB 4.59 (#peak 366)
&rst
ixpk= 366, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 495, 496,
&end
#
# 32 SER QB 34 TYR H 3.99 (#peak 388)
&rst
ixpk= 388, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 484, 485,
&end
#
# 32 SER QB 34 TYR QD 4.07 (#peak 1730)
&rst
ixpk= 1730, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 484, 485,
igr2= 511, 520,
&end
#
# 33 ASP H 33 ASP QB 3.18 (#peak 2091)
&rst
ixpk= 2091, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 495, 496,
&end
#
# 33 ASP QB 34 TYR H 3.94 (#peak 387)
&rst
ixpk= 387, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 495, 496,
&end
#
# 33 ASP QB 93 ILE QG2 3.68 (#peak 3176)
&rst
ixpk= 3176, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 495, 496,
igr2=1472,1473,1474,
&end
#
# 33 ASP QB 93 ILE QD1 4.18 (#peak 3150)
&rst
ixpk= 3150, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 495, 496,
igr2=1479,1480,1481,
&end
#
# 34 TYR H 88 LEU QQD 5.14 (#peak 386)
&rst
ixpk= 386, nxpk= 0, iat= 503,1374, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, &end
#
# 34 TYR HB2 88 LEU QQD 4.09 (#peak 120)
&rst
ixpk= 120, nxpk= 0, iat= 507,1374, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, &end
#
# 34 TYR HB3 88 LEU QQD 3.78 (#peak 1517)
&rst
ixpk= 1517, nxpk= 0, iat= 508,1374, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 34 TYR QD 88 LEU QQD 3.07 (#peak 1507)
&rst
ixpk= 1507, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 511, 520,
&end
#
# 34 TYR QE 38 LEU QQD 4.12 (#peak 1271)
&rst
ixpk= 1271, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 513, 518,
&end
#
# 35 THR H 88 LEU QQD 5.5 (#peak 1134)
&rst
ixpk= 1134, nxpk= 0, iat= 524,1374, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 37 ASN H 37 ASN QB 2.85 (#peak 808)
&rst
ixpk= 808, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2= 549, 550,
&end
#
# 37 ASN H 38 LEU QQD 4.95 (#peak 800)
&rst
ixpk= 800, nxpk= 0, iat= 545, 565, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, &end
#
# 37 ASN H 88 LEU QQD 5.5 (#peak 802)
&rst
ixpk= 802, nxpk= 0, iat= 545,1374, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 37 ASN HA 38 LEU QQD 3.93 (#peak 1262)
&rst
ixpk= 1262, nxpk= 0, iat= 547, 565, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 37 ASN QB 38 LEU H 3.78 (#peak 358)
&rst
ixpk= 358, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 549, 550,
&end
#
# 37 ASN QB 56 VAL QQG 4.32 (#peak 368)
&rst
ixpk= 368, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 549, 550,
&end
#
# 37 ASN QB 57 ASN H 4.45 (#peak 76)
&rst
ixpk= 76, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 549, 550,
&end
#
# 38 LEU HB2 38 LEU QQD 3.04 (#peak 1285)
&rst
ixpk= 1285, nxpk= 0, iat= 563, 565, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 38 LEU HB3 38 LEU QQD 2.86 (#peak 1288)
&rst
ixpk= 1288, nxpk= 0, iat= 564, 565, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 38 LEU QQD 39 THR H 3.96 (#peak 1280)
&rst
ixpk= 1280, nxpk= 0, iat= 565, 578, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 38 LEU QQD 39 THR HA 4.18 (#peak 1283)
&rst
ixpk= 1283, nxpk= 0, iat= 565, 580, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, &end
#
# 38 LEU QQD 54 ILE HA 4.90 (#peak 1265)
&rst
ixpk= 1265, nxpk= 0, iat= 565, 810, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60, &end
#
# 38 LEU QQD 54 ILE HB 4.24 (#peak 1293)
&rst
ixpk= 1293, nxpk= 0, iat= 565, 812, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, &end
#
# 38 LEU QQD 56 VAL HA 4.80 (#peak 1302)
&rst
ixpk= 1302, nxpk= 0, iat= 565, 843, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 38 LEU QQD 84 THR HA 5.5 (#peak 1306)
&rst
ixpk= 1306, nxpk= 0, iat= 565,1316, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 38 LEU QQD 84 THR HB 4.26 (#peak 1303)
&rst
ixpk= 1303, nxpk= 0, iat= 565,1318, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, &end
#
# 38 LEU QQD 84 THR QG2 2.78 (#peak 1295)
&rst
ixpk= 1295, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1320,1321,1322,
&end
#
# 39 THR HB 41 ASN QD2 5 (#peak 1599)
&rst
ixpk= 1599, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 620, 621,
&end
#
# 40 ILE HA 41 ASN QD2 4.62 (#peak 1608)
&rst
ixpk= 1608, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 620, 621,
&end
#
# 41 ASN H 41 ASN QD2 3.57 (#peak 108)
&rst
ixpk= 108, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 620, 621,
&end
#
# 41 ASN HB2 41 ASN QD2 3.35 (#peak 2008)
&rst
ixpk= 2008, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 620, 621,
&end
#
# 41 ASN HB3 41 ASN QD2 3.48 (#peak 2007)
&rst
ixpk= 2007, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 620, 621,
&end
#
# 41 ASN QD2 53 THR HB 4.19 (#peak 2013)
&rst
ixpk= 2013, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 620, 621,
&end
#
# 41 ASN QD2 53 THR QG2 4.34 (#peak 1015)
&rst
ixpk= 1015, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 620, 621,
igr2= 800, 801, 802,
&end
#
# 41 ASN QD2 54 ILE HA 4.48 (#peak 2015)
&rst
ixpk= 2015, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 620, 621,
&end
#
# 41 ASN QD2 55 THR H 3.84 (#peak 141)
&rst
ixpk= 141, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 620, 621,
&end
#
# 41 ASN QD2 55 THR QG2 3.32 (#peak 2012)
&rst
ixpk= 2012, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 620, 621,
igr2= 833, 834, 835,
&end
#
# 42 GLU HA 43 ARG QB 4.61 (#peak 3515)
&rst
ixpk= 3515, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 644, 645,
&end
#
# 42 GLU HB2 50 SER HB2 5.5 (#peak 2926)
&rst
ixpk= 2926, nxpk= 0, iat= 629, 744, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLU HB2 50 SER HB3 5.5 (#peak 2926)
&rst
ixpk= 2926, nxpk= 0, iat= 629, 745, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLU HB2 66 LEU QQD 5.01 (#peak 4164)
&rst
ixpk= 4164, nxpk= 0, iat= 629,1012, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, &end
#
# 42 GLU HB3 66 LEU QQD 5.22 (#peak 650)
&rst
ixpk= 650, nxpk= 0, iat= 630,1012, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92, &end
#
# 42 GLU HG3 50 SER HB2 5.10 (#peak 2925)
&rst
ixpk= 2925, nxpk= 0, iat= 633, 744, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 42 GLU HG3 50 SER HB3 5.5 (#peak 2925)
&rst
ixpk= 2925, nxpk= 0, iat= 633, 745, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ARG H 51 TRP QB 4.19 (#peak 1747)
&rst
ixpk= 1747, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 755, 756,
&end
#
# 43 ARG QB 43 ARG QD 3.39 (#peak 2386)
&rst
ixpk= 2386, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 644, 645,
igr2= 650, 651,
&end
#
# 43 ARG QB 44 PRO HD2 4.06 (#peak 2385)
&rst
ixpk= 2385, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 644, 645,
&end
#
# 43 ARG QB 44 PRO HD3 4.86 (#peak 2384)
&rst
ixpk= 2384, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 644, 645,
&end
#
# 43 ARG QB 51 TRP H 3.73 (#peak 1714)
&rst
ixpk= 1714, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 644, 645,
&end
#
# 43 ARG QB 51 TRP QB 3.51 (#peak 3141)
&rst
ixpk= 3141, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 644, 645,
igr2= 755, 756,
&end
#
# 45 SER QB 47 ARG QG 3.73 (#peak 1595)
&rst
ixpk= 1595, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 682, 683,
igr2= 706, 707,
&end
#
# 46 ALA HA 47 ARG QG 4.58 (#peak 1601)
&rst
ixpk= 1601, nxpk= 0, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 706, 707,
&end
#
# 47 ARG H 47 ARG QG 3.17 (#peak 697)
&rst
ixpk= 697, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 706, 707,
&end
#
# 47 ARG HA 47 ARG QG 3.42 (#peak 1418)
&rst
ixpk= 1418, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 706, 707,
&end
#
# 47 ARG QG 48 ALA H 3.36 (#peak 1208)
&rst
ixpk= 1208, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 706, 707,
&end
#
# 47 ARG QG 49 GLY H 4.05 (#peak 1328)
&rst
ixpk= 1328, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 706, 707,
&end
#
# 49 GLY H 68 PRO QG 5.35 (#peak 1331)
&rst
ixpk= 1331, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=1049,1050,
&end
#
# 49 GLY HA3 68 PRO QG 5.33 (#peak 218)
&rst
ixpk= 218, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1049,1050,
&end
#
# 50 SER H 50 SER QB 3.60 (#peak 1466)
&rst
ixpk= 1466, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 744, 745,
&end
#
# 50 SER QB 51 TRP H 3.51 (#peak 1757)
&rst
ixpk= 1757, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 744, 745,
&end
#
# 50 SER QB 52 ILE HG12 5.34 (#peak 2927)
&rst
ixpk= 2927, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 744, 745,
&end
#
# 50 SER QB 52 ILE QD1 4.15 (#peak 467)
&rst
ixpk= 467, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 744, 745,
igr2= 788, 789, 790,
&end
#
# 50 SER QB 66 LEU HB2 4.36 (#peak 2942)
&rst
ixpk= 2942, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 744, 745,
&end
#
# 50 SER QB 66 LEU QQD 5.22 (#peak 3979)
&rst
ixpk= 3979, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
igr1= 744, 745,
&end
#
# 51 TRP QB 51 TRP HE3 3.54 (#peak 270)
&rst
ixpk= 270, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 755, 756,
&end
#
# 52 ILE HB 66 LEU QQD 4.11 (#peak 2686)
&rst
ixpk= 2686, nxpk= 0, iat= 779,1012, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, &end
#
# 52 ILE HG12 66 LEU QQD 3.15 (#peak 3991)
&rst
ixpk= 3991, nxpk= 0, iat= 785,1012, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 52 ILE HG13 66 LEU QQD 3.15 (#peak 3993)
&rst
ixpk= 3993, nxpk= 0, iat= 786,1012, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 52 ILE QD1 66 LEU QQD 3.18 (#peak 459)
&rst
ixpk= 459, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 788, 789, 790,
&end
#
# 53 THR HB 60 VAL QQG 4.46 (#peak 321)
&rst
ixpk= 321, nxpk= 0, iat= 798, 903, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, &end
#
# 53 THR QG2 60 VAL QQG 3.02 (#peak 982)
&rst
ixpk= 982, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 800, 801, 802,
&end
#
# 55 THR HA 60 VAL QQG 4.84 (#peak 286)
&rst
ixpk= 286, nxpk= 0, iat= 829, 903, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54, &end
#
# 56 VAL HB 59 ASP QB 4.17 (#peak 2466)
&rst
ixpk= 2466, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 892, 893,
&end
#
# 56 VAL HB 88 LEU QQD 5.21 (#peak 2472)
&rst
ixpk= 2472, nxpk= 0, iat= 845,1374, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, &end
#
# 56 VAL QQG 59 ASP QB 4.15 (#peak 3052)
&rst
ixpk= 3052, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2= 892, 893,
&end
#
# 56 VAL QQG 88 LEU QQD 2.74 (#peak 975)
&rst
ixpk= 975, nxpk= 0, iat= 844,1374, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, &end
#
# 57 ASN HB3 58 GLN QG 4.26 (#peak 3577)
&rst
ixpk= 3577, nxpk= 0, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 878, 879,
&end
#
# 57 ASN HD21 58 GLN QG 5.34 (#peak 3592)
&rst
ixpk= 3592, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 878, 879,
&end
#
# 58 GLN H 58 GLN QG 3.06 (#peak 2193)
&rst
ixpk= 2193, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 878, 879,
&end
#
# 58 GLN H 59 ASP QB 4.45 (#peak 484)
&rst
ixpk= 484, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 892, 893,
&end
#
# 58 GLN HA 58 GLN QG 3.48 (#peak 3587)
&rst
ixpk= 3587, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 878, 879,
&end
#
# 58 GLN QG 59 ASP H 3.77 (#peak 789)
&rst
ixpk= 789, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 878, 879,
&end
#
# 58 GLN QG 59 ASP QB 4.02 (#peak 3598)
&rst
ixpk= 3598, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 878, 879,
igr2= 892, 893,
&end
#
# 59 ASP H 59 ASP QB 2.83 (#peak 793)
&rst
ixpk= 793, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 892, 893,
&end
#
# 59 ASP QB 60 VAL H 3.41 (#peak 356)
&rst
ixpk= 356, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 892, 893,
&end
#
# 59 ASP QB 60 VAL QQG 4.57 (#peak 1775)
&rst
ixpk= 1775, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 892, 893,
&end
#
# 59 ASP QB 61 ILE QG2 5.02 (#peak 2736)
&rst
ixpk= 2736, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 892, 893,
igr2= 922, 923, 924,
&end
#
# 60 VAL H 60 VAL QQG 2.77 (#peak 360)
&rst
ixpk= 360, nxpk= 0, iat= 900, 903, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 60 VAL QQG 61 ILE H 3.37 (#peak 231)
&rst
ixpk= 231, nxpk= 0, iat= 903, 916, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 60 VAL QQG 63 GLN QB 3.32 (#peak 2390)
&rst
ixpk= 2390, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 959, 960,
&end
#
# 60 VAL QQG 63 GLN QG 3.91 (#peak 3616)
&rst
ixpk= 3616, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 962, 963,
&end
#
# 60 VAL QQG 63 GLN HE21 5.02 (#peak 1955)
&rst
ixpk= 1955, nxpk= 0, iat= 903, 968, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72, &end
#
# 60 VAL QQG 63 GLN HE22 4.64 (#peak 2001)
&rst
ixpk= 2001, nxpk= 0, iat= 903, 967, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34, &end
#
# 61 ILE HG12 88 LEU QQD 4.37 (#peak 974)
&rst
ixpk= 974, nxpk= 0, iat= 926,1374, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, &end
#
# 61 ILE HG13 88 LEU QQD 4.91 (#peak 2023)
&rst
ixpk= 2023, nxpk= 0, iat= 927,1374, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61, &end
#
# 61 ILE QD1 88 LEU QQD 3.12 (#peak 2261)
&rst
ixpk= 2261, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 929, 930, 931,
&end
#
# 65 PHE QB 66 LEU H 3.87 (#peak 2122)
&rst
ixpk= 2122, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 990, 991,
&end
#
# 66 LEU HA 66 LEU QQD 3.10 (#peak 3972)
&rst
ixpk= 3972, nxpk= 0, iat=1008,1012, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 66 LEU HB3 66 LEU QQD 2.67 (#peak 3989)
&rst
ixpk= 3989, nxpk= 0, iat=1011,1012, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 66 LEU QQD 67 PHE H 3.67 (#peak 3962)
&rst
ixpk= 3962, nxpk= 0, iat=1012,1025, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 66 LEU QQD 67 PHE HA 4.96 (#peak 3970)
&rst
ixpk= 3970, nxpk= 0, iat=1012,1027, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, &end
#
# 66 LEU QQD 73 PHE HA 3.67 (#peak 3964)
&rst
ixpk= 3964, nxpk= 0, iat=1012,1138, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 66 LEU QQD 73 PHE HB2 3.85 (#peak 3966)
&rst
ixpk= 3966, nxpk= 0, iat=1012,1140, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 66 LEU QQD 73 PHE HB3 5.44 (#peak 3979)
&rst
ixpk= 3979, nxpk= 0, iat=1012,1141, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 66 LEU QQD 73 PHE QD 3.21 (#peak 3960)
&rst
ixpk= 3960, nxpk= 0, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1144,1152,
&end
#
# 66 LEU QQD 73 PHE QE 4.05 (#peak 1526)
&rst
ixpk= 1526, nxpk= 0, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2=1146,1150,
&end
#
# 66 LEU QQD 76 THR HB 3.65 (#peak 3972)
&rst
ixpk= 3972, nxpk= 0, iat=1012,1197, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 66 LEU QQD 76 THR QG2 3.36 (#peak 3957)
&rst
ixpk= 3957, nxpk= 0, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1199,1200,1201,
&end
#
# 66 LEU QQD 77 VAL H 4.51 (#peak 1242)
&rst
ixpk= 1242, nxpk= 0, iat=1012,1207, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, &end
#
# 66 LEU QQD 77 VAL QQG 4.02 (#peak 3956)
&rst
ixpk= 3956, nxpk= 0, iat=1012,1210, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92, &end
#
# 67 PHE HB3 68 PRO QG 5.04 (#peak 3858)
&rst
ixpk= 3858, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1049,1050,
&end
#
# 67 PHE HB3 69 LEU QB 4.30 (#peak 1057)
&rst
ixpk= 1057, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1063,1064,
&end
#
# 68 PRO QG 69 LEU QB 4.87 (#peak 3802)
&rst
ixpk= 3802, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1049,1050,
igr2=1063,1064,
&end
#
# 68 PRO QG 69 LEU QQD 5.13 (#peak 3829)
&rst
ixpk= 3829, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
igr1=1049,1050,
&end
#
# 68 PRO QG 70 LYS H 4.52 (#peak 3769)
&rst
ixpk= 3769, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1049,1050,
&end
#
# 69 LEU HA 69 LEU QQD 3.90 (#peak 570)
&rst
ixpk= 570, nxpk= 0, iat=1061,1065, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 69 LEU QB 69 LEU QQD 2.80 (#peak 1199)
&rst
ixpk= 1199, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1063,1064,
&end
#
# 72 ASP H 72 ASP QB 3.00 (#peak 2169)
&rst
ixpk= 2169, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1128,1129,
&end
#
# 72 ASP QB 73 PHE H 4.45 (#peak 923)
&rst
ixpk= 923, nxpk= 0, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1128,1129,
&end
#
# 72 ASP QB 75 LYS HB2 3.75 (#peak 2437)
&rst
ixpk= 2437, nxpk= 0, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1128,1129,
&end
#
# 72 ASP QB 75 LYS HB3 4.66 (#peak 3362)
&rst
ixpk= 3362, nxpk= 0, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1128,1129,
&end
#
# 72 ASP QB 75 LYS QD 3.80 (#peak 3360)
&rst
ixpk= 3360, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1128,1129,
igr2=1181,1182,
&end
#
# 72 ASP QB 76 THR QG2 5.34 (#peak 934)
&rst
ixpk= 934, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1128,1129,
igr2=1199,1200,1201,
&end
#
# 73 PHE QD 77 VAL QQG 4.11 (#peak 495)
&rst
ixpk= 495, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1144,1152,
&end
#
# 73 PHE HZ 77 VAL QQG 4.78 (#peak 838)
&rst
ixpk= 838, nxpk= 0, iat=1148,1210, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, &end
#
# 74 GLU HA 77 VAL QQG 3.75 (#peak 3319)
&rst
ixpk= 3319, nxpk= 0, iat=1158,1210, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 74 GLU HA 78 VAL QQG 4.38 (#peak 1000)
&rst
ixpk= 1000, nxpk= 0, iat=1158,1226, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, &end
#
# 74 GLU QG 78 VAL QQG 3.86 (#peak 978)
&rst
ixpk= 978, nxpk= 0, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1163,1164,
&end
#
# 75 LYS HA 78 VAL QQG 3.44 (#peak 987)
&rst
ixpk= 987, nxpk= 0, iat=1173,1226, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 76 THR H 77 VAL QQG 4.63 (#peak 1176)
&rst
ixpk= 1176, nxpk= 0, iat=1193,1210, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, &end
#
# 76 THR H 78 VAL QQG 4.86 (#peak 997)
&rst
ixpk= 997, nxpk= 0, iat=1193,1226, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, &end
#
# 76 THR HB 77 VAL QQG 4.08 (#peak 493)
&rst
ixpk= 493, nxpk= 0, iat=1197,1210, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, &end
#
# 77 VAL H 77 VAL QQG 2.80 (#peak 1240)
&rst
ixpk= 1240, nxpk= 0, iat=1207,1210, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 VAL H 78 VAL QQG 4.35 (#peak 1244)
&rst
ixpk= 1244, nxpk= 0, iat=1207,1226, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, &end
#
# 77 VAL HA 78 VAL QQG 5.09 (#peak 1017)
&rst
ixpk= 1017, nxpk= 0, iat=1209,1226, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79, &end
#
# 77 VAL HB 78 VAL QQG 3.63 (#peak 1804)
&rst
ixpk= 1804, nxpk= 0, iat=1211,1226, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 77 VAL QQG 78 VAL H 3.38 (#peak 1423)
&rst
ixpk= 1423, nxpk= 0, iat=1210,1223, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 77 VAL QQG 78 VAL HA 4.04 (#peak 2932)
&rst
ixpk= 2932, nxpk= 0, iat=1210,1225, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, &end
#
# 77 VAL QQG 79 ALA H 5.18 (#peak 832)
&rst
ixpk= 832, nxpk= 0, iat=1210,1239, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88, &end
#
# 77 VAL QQG 80 ALA H 4.80 (#peak 833)
&rst
ixpk= 833, nxpk= 0, iat=1210,1249, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 77 VAL QQG 80 ALA QB 4.31 (#peak 3396)
&rst
ixpk= 3396, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
igr2=1253,1254,1255,
&end
#
# 77 VAL QQG 81 LEU H 4.87 (#peak 609)
&rst
ixpk= 609, nxpk= 0, iat=1210,1259, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, &end
#
# 77 VAL QQG 81 LEU HG 3.89 (#peak 3101)
&rst
ixpk= 3101, nxpk= 0, iat=1210,1266, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 78 VAL H 78 VAL QQG 2.71 (#peak 1591)
&rst
ixpk= 1591, nxpk= 0, iat=1223,1226, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 78 VAL HA 78 VAL QQG 2.74 (#peak 869)
&rst
ixpk= 869, nxpk= 0, iat=1225,1226, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 78 VAL QQG 79 ALA QB 4.06 (#peak 553)
&rst
ixpk= 553, nxpk= 0, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr2=1243,1244,1245,
&end
#
# 78 VAL QQG 80 ALA H 5.44 (#peak 1009)
&rst
ixpk= 1009, nxpk= 0, iat=1226,1249, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 78 VAL QQG 81 LEU H 4.60 (#peak 604)
&rst
ixpk= 604, nxpk= 0, iat=1226,1259, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 78 VAL QQG 81 LEU HG 3.92 (#peak 1229)
&rst
ixpk= 1229, nxpk= 0, iat=1226,1266, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end
#
# 78 VAL QQG 81 LEU QD1 3.43 (#peak 1143)
&rst
ixpk= 1143, nxpk= 0, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1268,1269,1270,
&end
#
# 82 ILE HA 85 GLU QB 4.59 (#peak 3550)
&rst
ixpk= 3550, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1332,1333,
&end
#
# 82 ILE QG2 85 GLU QG 4.44 (#peak 3168)
&rst
ixpk= 3168, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1284,1285,1286,
igr2=1335,1336,
&end
#
# 84 THR H 85 GLU QG 4.39 (#peak 732)
&rst
ixpk= 732, nxpk= 0, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1335,1336,
&end
#
# 84 THR HA 88 LEU QQD 4.33 (#peak 960)
&rst
ixpk= 960, nxpk= 0, iat=1316,1374, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, &end
#
# 84 THR HB 85 GLU QB 4.56 (#peak 4085)
&rst
ixpk= 4085, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1332,1333,
&end
#
# 84 THR HB 88 LEU QQD 5.44 (#peak 695)
&rst
ixpk= 695, nxpk= 0, iat=1318,1374, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 84 THR QG2 88 LEU QQD 3.37 (#peak 975)
&rst
ixpk= 975, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=1320,1321,1322,
&end
#
# 85 GLU H 85 GLU QB 3.01 (#peak 1368)
&rst
ixpk= 1368, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2=1332,1333,
&end
#
# 85 GLU H 85 GLU QG 2.92 (#peak 1367)
&rst
ixpk= 1367, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2=1335,1336,
&end
#
# 85 GLU H 88 LEU QQD 4.87 (#peak 954)
&rst
ixpk= 954, nxpk= 0, iat=1328,1374, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, &end
#
# 85 GLU HA 85 GLU QG 3.42 (#peak 2558)
&rst
ixpk= 2558, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1335,1336,
&end
#
# 85 GLU HA 88 LEU QQD 3.77 (#peak 958)
&rst
ixpk= 958, nxpk= 0, iat=1330,1374, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 85 GLU QB 86 GLU H 3.65 (#peak 4077)
&rst
ixpk= 4077, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1332,1333,
&end
#
# 85 GLU QB 88 LEU QQD 5.28 (#peak 966)
&rst
ixpk= 966, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
igr1=1332,1333,
&end
#
# 85 GLU QB 89 ASN H 4.42 (#peak 1857)
&rst
ixpk= 1857, nxpk= 0, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1332,1333,
&end
#
# 85 GLU QB 89 ASN HA 5.50 (#peak 4087)
&rst
ixpk= 4087, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1332,1333,
&end
#
# 85 GLU QB 89 ASN HB2 5.5 (#peak 2646)
&rst
ixpk= 2646, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1332,1333,
&end
#
# 85 GLU QB 89 ASN HD21 4.26 (#peak 1485)
&rst
ixpk= 1485, nxpk= 0, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1332,1333,
&end
#
# 85 GLU QB 89 ASN HD22 4.03 (#peak 1936)
&rst
ixpk= 1936, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1332,1333,
&end
#
# 85 GLU QB 93 ILE QD1 5 (#peak 3147)
&rst
ixpk= 3147, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1332,1333,
igr2=1479,1480,1481,
&end
#
# 85 GLU QG 86 GLU H 3.92 (#peak 2551)
&rst
ixpk= 2551, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1335,1336,
&end
#
# 85 GLU QG 88 LEU QQD 5.28 (#peak 966)
&rst
ixpk= 966, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
igr1=1335,1336,
&end
#
# 85 GLU QG 89 ASN H 5.34 (#peak 1855)
&rst
ixpk= 1855, nxpk= 0, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1335,1336,
&end
#
# 85 GLU QG 89 ASN HB2 5.00 (#peak 2653)
&rst
ixpk= 2653, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1335,1336,
&end
#
# 85 GLU QG 89 ASN HD22 4.26 (#peak 1937)
&rst
ixpk= 1937, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1335,1336,
&end
#
# 85 GLU QG 93 ILE QD1 5 (#peak 3149)
&rst
ixpk= 3149, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1335,1336,
igr2=1479,1480,1481,
&end
#
# 87 ALA H 88 LEU QQD 4.25 (#peak 919)
&rst
ixpk= 919, nxpk= 0, iat=1358,1374, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, &end
#
# 87 ALA QB 88 LEU QQD 3.45 (#peak 969)
&rst
ixpk= 969, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1362,1363,1364,
&end
#
# 88 LEU H 88 LEU QQD 3.42 (#peak 950)
&rst
ixpk= 950, nxpk= 0, iat=1368,1374, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 88 LEU HA 88 LEU QQD 3.55 (#peak 2887)
&rst
ixpk= 2887, nxpk= 0, iat=1370,1374, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 88 LEU HB2 88 LEU QQD 2.81 (#peak 1521)
&rst
ixpk= 1521, nxpk= 0, iat=1372,1374, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 88 LEU QQD 89 ASN H 4.06 (#peak 1864)
&rst
ixpk= 1864, nxpk= 0, iat=1374,1387, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, &end
#
# 88 LEU QQD 90 ARG H 5.44 (#peak 955)
&rst
ixpk= 955, nxpk= 0, iat=1374,1401, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 88 LEU QQD 91 ARG HD2 4.21 (#peak 806)
&rst
ixpk= 806, nxpk= 0, iat=1374,1435, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, &end
#
# 88 LEU QQD 92 GLN H 5.44 (#peak 1331)
&rst
ixpk= 1331, nxpk= 0, iat=1374,1449, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 88 LEU QQD 93 ILE H 5.44 (#peak 1331)
&rst
ixpk= 1331, nxpk= 0, iat=1374,1466, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 88 LEU QQD 93 ILE HG13 5.02 (#peak 970)
&rst
ixpk= 970, nxpk= 0, iat=1374,1477, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72, &end
#
# 92 GLN HA 95 GLN QG 4.46 (#peak 1122)
&rst
ixpk= 1122, nxpk= 0, iat=1451, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1506,1507,
&end
#
# 94 ASN H 94 ASN QB 3.09 (#peak 1911)
&rst
ixpk= 1911, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=1489,1490,
&end
#
# 94 ASN H 95 GLN QG 5.34 (#peak 1865)
&rst
ixpk= 1865, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1506,1507,
&end
#
# 94 ASN H 97 LEU QQD 3.21 (#peak 1873)
&rst
ixpk= 1873, nxpk= 0, iat=1485,1532, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 94 ASN HA 97 LEU QB 4.42 (#peak 1548)
&rst
ixpk= 1548, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1530,1531,
&end
#
# 94 ASN HA 97 LEU QQD 4.10 (#peak 1873)
&rst
ixpk= 1873, nxpk= 0, iat=1487,1532, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 94 ASN QB 94 ASN HD21 3.02 (#peak 1938)
&rst
ixpk= 1938, nxpk= 0, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr1=1489,1490,
&end
#
# 94 ASN QB 94 ASN HD22 3.42 (#peak 2635)
&rst
ixpk= 2635, nxpk= 0, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=1489,1490,
&end
#
# 94 ASN QB 95 GLN H 3.53 (#peak 1911)
&rst
ixpk= 1911, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1489,1490,
&end
#
# 94 ASN QB 95 GLN QG 4.13 (#peak 3692)
&rst
ixpk= 3692, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1489,1490,
igr2=1506,1507,
&end
#
# 94 ASN QB 97 LEU H 5.34 (#peak 1294)
&rst
ixpk= 1294, nxpk= 0, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1489,1490,
&end
#
# 94 ASN QB 97 LEU QQD 3.97 (#peak 2661)
&rst
ixpk= 2661, nxpk= 0, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1489,1490,
&end
#
# 94 ASN HD21 97 LEU QQD 3.99 (#peak 2029)
&rst
ixpk= 2029, nxpk= 0, iat=1495,1532, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, &end
#
# 94 ASN HD22 97 LEU QQD 4.90 (#peak 2019)
&rst
ixpk= 2019, nxpk= 0, iat=1494,1532, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60, &end
#
# 95 GLN H 95 GLN QG 3.08 (#peak 1915)
&rst
ixpk= 1915, nxpk= 0, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=1506,1507,
&end
#
# 95 GLN QG 95 GLN HE21 3.04 (#peak 1986)
&rst
ixpk= 1986, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1=1506,1507,
&end
#
# 95 GLN QG 95 GLN HE22 3.59 (#peak 1985)
&rst
ixpk= 1985, nxpk= 0, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1506,1507,
&end
#
# 95 GLN QG 96 ALA H 4.17 (#peak 1119)
&rst
ixpk= 1119, nxpk= 0, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1506,1507,
&end
#
# 96 ALA H 97 LEU QB 5.11 (#peak 1905)
&rst
ixpk= 1905, nxpk= 0, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1530,1531,
&end
#
# 96 ALA H 97 LEU QQD 4.61 (#peak 952)
&rst
ixpk= 952, nxpk= 0, iat=1516,1532, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, &end
#
# 96 ALA QB 97 LEU QQD 4.99 (#peak 3394)
&rst
ixpk= 3394, nxpk= 0, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1520,1521,1522,
&end
#
# 97 LEU H 97 LEU QB 2.91 (#peak 1291)
&rst
ixpk= 1291, nxpk= 0, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2=1530,1531,
&end
#
# 97 LEU H 97 LEU QQD 3.40 (#peak 1529)
&rst
ixpk= 1529, nxpk= 0, iat=1526,1532, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 97 LEU HA 97 LEU QQD 3.63 (#peak 1572)
&rst
ixpk= 1572, nxpk= 0, iat=1528,1532, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 97 LEU QB 97 LEU QQD 2.58 (#peak 1579)
&rst
ixpk= 1579, nxpk= 0, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1530,1531,
&end
#
# 97 LEU QB 98 LEU H 3.5 (#peak 1228)
&rst
ixpk= 1228, nxpk= 0, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1530,1531,
&end
#
# 97 LEU QQD 98 LEU H 3.5 (#peak 1528)
&rst
ixpk= 1528, nxpk= 0, iat=1532,1545, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 97 LEU QQD 98 LEU HA 5 (#peak 4212)
&rst
ixpk= 4212, nxpk= 0, iat=1532,1547, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 98 LEU QQD 99 SER H 5 (#peak 1792)
&rst
ixpk= 1792, nxpk= 0, iat=1551,1564, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 98 LEU H 98 LEU QB 3.07 (#peak 1230)
&rst
ixpk= 1230, nxpk= 0, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2=1549,1550,
&end
#
# 98 LEU HA 98 LEU QQD 3.18 (#peak 1563)
&rst
ixpk= 1563, nxpk= 0, iat=1547,1551, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 98 LEU QB 98 LEU HG 2.52 (#peak 1608)
&rst
ixpk= 1608, nxpk= 0, iat= -1,1552, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,
igr1=1549,1550,
&end
#
# 98 LEU QB 98 LEU QQD 2.58 (#peak 1566)
&rst
ixpk= 1566, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1549,1550,
&end
#
# 98 LEU QB 99 SER H 3.36 (#peak 878)
&rst
ixpk= 878, nxpk= 0, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1549,1550,
&end
#
# 98 LEU QB 99 SER QB 5.18 (#peak 1644)
&rst
ixpk= 1644, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1549,1550,
igr2=1568,1569,
&end
#
# 98 LEU HG 99 SER QB 5.34 (#peak 1983)
&rst
ixpk= 1983, nxpk= 0, iat=1552, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1568,1569,
&end
#
# 100 THR HA 101 GLY QA 5.02 (#peak 189)
&rst
ixpk= 189, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1591,1592,
&end
#
# 100 THR HB 101 GLY QA 5.34 (#peak 189)
&rst
ixpk= 189, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1591,1592,
&end
#
# 101 GLY QA 102 ASP H 2.89 (#peak 883)
&rst
ixpk= 883, nxpk= 0, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1591,1592,
&end
#
# 102 ASP H 102 ASP QB 2.79 (#peak 2098)
&rst
ixpk= 2098, nxpk= 0, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2=1600,1601,
&end
#
# 102 ASP QB 103 LEU H 3.20 (#peak 1769)
&rst
ixpk= 1769, nxpk= 0, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1600,1601,
&end
#
# 102 ASP QB 103 LEU HA 4.78 (#peak 3467)
&rst
ixpk= 3467, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1600,1601,
&end
#
# 102 ASP QB 103 LEU QB 4.21 (#peak 1554)
&rst
ixpk= 1554, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1600,1601,
igr2=1612,1613,
&end
#
# 102 ASP QB 103 LEU QQD 4.13 (#peak 1802)
&rst
ixpk= 1802, nxpk= 0, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1=1600,1601,
&end
#
# 102 ASP QB 104 ALA QB 4.69 (#peak 3388)
&rst
ixpk= 3388, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1600,1601,
igr2=1631,1632,1633,
&end
#
# 103 LEU H 103 LEU QB 2.73 (#peak 2113)
&rst
ixpk= 2113, nxpk= 0, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr2=1612,1613,
&end
#
# 103 LEU H 103 LEU QQD 3.73 (#peak 969)
&rst
ixpk= 969, nxpk= 0, iat=1608,1614, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 103 LEU HA 103 LEU QQD 3.80 (#peak 1564)
&rst
ixpk= 1564, nxpk= 0, iat=1610,1614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 103 LEU QB 103 LEU QQD 2.72 (#peak 1565)
&rst
ixpk= 1565, nxpk= 0, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1612,1613,
&end
#
# 103 LEU QB 104 ALA H 3.60 (#peak 948)
&rst
ixpk= 948, nxpk= 0, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1612,1613,
&end
#
# 103 LEU QQD 104 ALA H 3.47 (#peak 1808)
&rst
ixpk= 1808, nxpk= 0, iat=1614,1627, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 103 LEU QQD 104 ALA HA 4.15 (#peak 1562)
&rst
ixpk= 1562, nxpk= 0, iat=1614,1629, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, &end
#
# 103 LEU QQD 105 HIS H 3.99 (#peak 1828)
&rst
ixpk= 1828, nxpk= 0, iat=1614,1637, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, &end
#
# 103 LEU QQD 105 HIS QB 5.28 (#peak 1928)
&rst
ixpk= 1928, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
igr2=1641,1642,
&end
#
# 103 LEU QQD 106 ASP H 5.40 (#peak 860)
&rst
ixpk= 860, nxpk= 0, iat=1614,1654, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10, &end
#
# 103 LEU QQD 107 GLU HA 5.19 (#peak 1903)
&rst
ixpk= 1903, nxpk= 0, iat=1614,1668, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, &end
#
# 103 LEU QQD 107 GLU QG 3.49 (#peak 1578)
&rst
ixpk= 1578, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1673,1674,
&end
#
# 103 LEU QD2 107 GLU HG3 5.79 (#peak 1578)
&rst
ixpk= 1578, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1=1621,1622,1623,
&end
#
# 104 ALA H 105 HIS QB 4.96 (#peak 2182)
&rst
ixpk= 2182, nxpk= 0, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1641,1642,
&end
#
# 104 ALA H 107 GLU QG 5.34 (#peak 3500)
&rst
ixpk= 3500, nxpk= 0, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1673,1674,
&end
#
# 104 ALA QB 105 HIS QB 5.34 (#peak 3390)
&rst
ixpk= 3390, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1631,1632,1633,
igr2=1641,1642,
&end
#
# 105 HIS H 105 HIS QB 3.07 (#peak 868)
&rst
ixpk= 868, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2=1641,1642,
&end
#
# 105 HIS QB 106 ASP H 3.57 (#peak 856)
&rst
ixpk= 856, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1641,1642,
&end
#
# 105 HIS QB 106 ASP QB 4.09 (#peak 768)
&rst
ixpk= 768, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1641,1642,
igr2=1658,1659,
&end
#
# 106 ASP H 106 ASP QB 3.33 (#peak 2130)
&rst
ixpk= 2130, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2=1658,1659,
&end
#
# 107 GLU H 107 GLU QB 2.84 (#peak 514)
&rst
ixpk= 514, nxpk= 0, iat=1666, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2=1670,1671,
&end
#
# 107 GLU H 107 GLU QG 3.52 (#peak 517)
&rst
ixpk= 517, nxpk= 0, iat=1666, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1673,1674,
&end
#
# 107 GLU HA 107 GLU QG 3.36 (#peak 3497)
&rst
ixpk= 3497, nxpk= 0, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1673,1674,
&end
#
# 107 GLU QB 108 PHE H 3.28 (#peak 1010)
&rst
ixpk= 1010, nxpk= 0, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1=1670,1671,
&end
#
# 107 GLU QB 108 PHE QD 3.91 (#peak 144)
&rst
ixpk= 144, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1670,1671,
igr2=1689,1697,
&end
#
# 107 GLU QG 108 PHE H 4.68 (#peak 3499)
&rst
ixpk= 3499, nxpk= 0, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1673,1674,
&end
#
# 108 PHE H 108 PHE QB 3.15 (#peak 2170)
&rst
ixpk= 2170, nxpk= 0, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1685,1686,
&end
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