NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
495719 |
2l1m   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 3 VAL HN 3 VAL HB 4.19 (#peak 786)
&rst
ixpk= 786, nxpk= 0, iat= 35, 39, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
rk2=30.0, rk3=30.0, ir6=1, ialtd=1,
&end
#
# 3 VAL HN 3 VAL QQG 3.50 (#peak 789)
&rst
ixpk= 789, nxpk= 0, iat= 35, 38, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 3 VAL HA 4 ARG HN 3.09 (#peak 193)
&rst
ixpk= 193, nxpk= 0, iat= 37, 51, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 4 ARG HN 4 ARG QB 3.41 (#peak 195)
&rst
ixpk= 195, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 55, 56,
&end
#
# 4 ARG HA 4 ARG HD2 5.35 (#peak 35)
&rst
ixpk= 35, nxpk= 0, iat= 53, 61, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 4 ARG HA 4 ARG HD3 5.35 (#peak 35)
&rst
ixpk= 35, nxpk= 0, iat= 53, 62, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 4 ARG HA 4 ARG HG2 4.20 (#peak 34)
&rst
ixpk= 34, nxpk= 0, iat= 53, 58, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 4 ARG HA 4 ARG HG3 4.20 (#peak 34)
&rst
ixpk= 34, nxpk= 0, iat= 53, 59, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 4 ARG HA 4 ARG QD 4.61 (#peak 35)
&rst
ixpk= 35, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 61, 62,
&end
#
# 4 ARG HA 4 ARG QG 3.59 (#peak 34)
&rst
ixpk= 34, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 58, 59,
&end
#
# 4 ARG HA 5 ARG HN 2.98 (#peak 29)
&rst
ixpk= 29, nxpk= 0, iat= 53, 75, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 4 ARG HB2 5 ARG HN 4.67 (#peak 362)
&rst
ixpk= 362, nxpk= 0, iat= 55, 75, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 4 ARG HB3 5 ARG HN 4.67 (#peak 361)
&rst
ixpk= 361, nxpk= 0, iat= 56, 75, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 4 ARG HG2 5 ARG HN 5.50 (#peak 360)
&rst
ixpk= 360, nxpk= 0, iat= 58, 75, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 ARG HG3 5 ARG HN 5.50 (#peak 360)
&rst
ixpk= 360, nxpk= 0, iat= 59, 75, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 ARG QB 5 ARG HN 3.95 (#peak 361)
&rst
ixpk= 361, nxpk= 0, iat= -1, 75, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 55, 56,
&end
#
# 4 ARG QG 5 ARG HN 4.82 (#peak 360)
&rst
ixpk= 360, nxpk= 0, iat= -1, 75, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 58, 59,
&end
#
# 5 ARG HA 6 GLY HN 3.06 (#peak 402)
&rst
ixpk= 402, nxpk= 0, iat= 77, 99, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 5 ARG QB 6 GLY HN 3.96 (#peak 403)
&rst
ixpk= 403, nxpk= 0, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 79, 80,
&end
#
# 7 HIS HN 7 HIS QB 3.67 (#peak 399)
&rst
ixpk= 399, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 110, 111,
&end
#
# 7 HIS HN 8 VAL HN 5.12 (#peak 400)
&rst
ixpk= 400, nxpk= 0, iat= 106, 123, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 7 HIS HA 8 VAL HN 3.52 (#peak 42)
&rst
ixpk= 42, nxpk= 0, iat= 108, 123, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 7 HIS HB2 8 VAL HN 4.69 (#peak 393)
&rst
ixpk= 393, nxpk= 0, iat= 110, 123, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 7 HIS HB3 8 VAL HN 4.69 (#peak 50)
&rst
ixpk= 50, nxpk= 0, iat= 111, 123, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 7 HIS HD2 8 VAL HN 5.00 (#peak 1645)
&rst
ixpk= 1645, nxpk= 0, iat= 119, 123, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 HIS HD2 8 VAL QQG 5.00 (#peak 1191 )
&rst
ixpk= 1191, nxpk= 0, iat= 119, 126, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 7 HIS HD2 9 ALA HN 4.66 (#peak 1777)
&rst
ixpk= 1777, nxpk= 0, iat= 119, 139, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 7 HIS HD2 9 ALA HA 4.31 (#peak 68)
&rst
ixpk= 68, nxpk= 0, iat= 119, 141, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 7 HIS QB 8 VAL HN 4.04 (#peak 393)
&rst
ixpk= 393, nxpk= 0, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 110, 111,
&end
#
# 8 VAL HN 8 VAL HB 3.34 (#peak 394)
&rst
ixpk= 394, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 8 VAL HN 8 VAL QQG 2.92 (#peak 395)
&rst
ixpk= 395, nxpk= 0, iat= 123, 126, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 8 VAL HN 9 ALA HN 4.57 (#peak 29)
&rst
ixpk= 29, nxpk= 0, iat= 123, 139, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 8 VAL HA 8 VAL HB 3.30 (#peak 2681 )
&rst
ixpk= 2681, nxpk= 0, iat= 125, 127, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 8 VAL HA 8 VAL QQG 2.79 (#peak 54)
&rst
ixpk= 54, nxpk= 0, iat= 125, 126, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 8 VAL HA 9 ALA HN 2.40 (#peak 31)
&rst
ixpk= 31, nxpk= 0, iat= 125, 139, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 8 VAL HA 9 ALA QB 4.08 (#peak 56)
&rst
ixpk= 56, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 143, 144, 145,
&end
#
# 8 VAL HB 9 ALA HN 4.31 (#peak 33)
&rst
ixpk= 33, nxpk= 0, iat= 127, 139, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 8 VAL QQG 10 PRO HA 6.00 (#peak 84 )
&rst
ixpk= 84, nxpk= 0, iat= 126, 159, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 8 VAL QQG 11 GLN HN 5.50 (#peak 1188 )
&rst
ixpk= 1188, nxpk= 0, iat= 126, 163, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 8 VAL QQG 11 GLN HN 5.50 (#peak 1188 )
&rst
ixpk= 1188, nxpk= 0, iat= 126, 163, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 8 VAL QQG 11 GLN QG 5.00 (#peak 2203 )
&rst
ixpk= 2203, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 170, 171,
&end
#
# 8 VAL QQG 9 ALA HN 3.33 (#peak 36)
&rst
ixpk= 36, nxpk= 0, iat= 126, 139, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 9 ALA HN 9 ALA QB 2.60 (#peak 34)
&rst
ixpk= 34, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 143, 144, 145,
&end
#
# 9 ALA HA 10 PRO HD2 2.77 (#peak 67)
&rst
ixpk= 67, nxpk= 0, iat= 141, 150, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 9 ALA HA 10 PRO HD3 2.77 (#peak 66)
&rst
ixpk= 66, nxpk= 0, iat= 141, 151, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 9 ALA HA 10 PRO HG2 5.35 (#peak 65)
&rst
ixpk= 65, nxpk= 0, iat= 141, 153, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 9 ALA HA 10 PRO HG3 5.35 (#peak 65)
&rst
ixpk= 65, nxpk= 0, iat= 141, 154, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 9 ALA HA 10 PRO QG 4.59 (#peak 65)
&rst
ixpk= 65, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 153, 154,
&end
#
# 9 ALA QB 10 PRO HD2 3.81 (#peak 2002)
&rst
ixpk= 2002, nxpk= 0, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 143, 144, 145,
&end
#
# 9 ALA QB 10 PRO HD3 3.81 (#peak 79)
&rst
ixpk= 79, nxpk= 0, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 143, 144, 145,
&end
#
# 9 ALA QB 10 PRO QD 3.03 (#peak 79)
&rst
ixpk= 79, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 143, 144, 145,
igr2= 150, 151,
&end
#
# 9 ALA QB 11 GLN HN 5.50 (#peak 76 )
&rst
ixpk= 76, nxpk= 0, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 143, 144, 145,
&end
#
# 9 ALA QB 11 GLN HA 5.50 (#peak 1978 )
&rst
ixpk= 1978, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 143, 144, 145,
&end
#
# 10 PRO HA 11 GLN HN 2.56 (#peak 88)
&rst
ixpk= 88, nxpk= 0, iat= 159, 163, r1= 1.30, r2= 1.80, r3= 2.56, r4= 3.06, &end
#
# 10 PRO HB2 11 GLN HN 4.17 (#peak 710)
&rst
ixpk= 710, nxpk= 0, iat= 156, 163, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 10 PRO HB2 12 ASN HN 4.70 (#peak 93)
&rst
ixpk= 93, nxpk= 0, iat= 156, 180, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 10 PRO HB3 11 GLN HN 4.17 (#peak 1649)
&rst
ixpk= 1649, nxpk= 0, iat= 157, 163, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 10 PRO HB3 12 ASN HN 4.70 (#peak 94)
&rst
ixpk= 94, nxpk= 0, iat= 157, 180, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 10 PRO QB 11 GLN HN 3.61 (#peak 710)
&rst
ixpk= 710, nxpk= 0, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 156, 157,
&end
#
# 11 GLN HN 11 GLN HG2 4.57 (#peak 707)
&rst
ixpk= 707, nxpk= 0, iat= 163, 170, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 11 GLN HN 11 GLN HG3 4.57 (#peak 707)
&rst
ixpk= 707, nxpk= 0, iat= 163, 171, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 11 GLN HN 11 GLN QB 2.76 (#peak 709)
&rst
ixpk= 709, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr2= 167, 168,
&end
#
# 11 GLN HN 11 GLN QG 3.92 (#peak 707)
&rst
ixpk= 707, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 170, 171,
&end
#
# 11 GLN HN 12 ASN HN 3.26 (#peak 1770)
&rst
ixpk= 1770, nxpk= 0, iat= 163, 180, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 11 GLN HN 13 THR QG2 4.92 (#peak 711)
&rst
ixpk= 711, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 200, 201, 202,
&end
#
# 11 GLN HA 11 GLN QB 2.60 (#peak 103)
&rst
ixpk= 103, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 167, 168,
&end
#
# 11 GLN HA 11 GLN QG 3.62 (#peak 105)
&rst
ixpk= 105, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 170, 171,
&end
#
# 11 GLN HA 12 ASN HN 5.00 (#peak 777 )
&rst
ixpk= 777, nxpk= 0, iat= 165, 180, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 GLN HB2 12 ASN HN 4.42 (#peak 785)
&rst
ixpk= 785, nxpk= 0, iat= 167, 180, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 11 GLN HB3 12 ASN HN 4.42 (#peak 786)
&rst
ixpk= 786, nxpk= 0, iat= 168, 180, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 11 GLN HE22 12 ASN HA 6.00 (#peak 1788 )
&rst
ixpk= 1788, nxpk= 0, iat= 176, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 GLN HG2 12 ASN HN 4.73 (#peak 783)
&rst
ixpk= 783, nxpk= 0, iat= 170, 180, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 11 GLN HG3 12 ASN HN 4.73 (#peak 783)
&rst
ixpk= 783, nxpk= 0, iat= 171, 180, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 11 GLN QB 12 ASN HN 3.83 (#peak 785)
&rst
ixpk= 785, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 167, 168,
&end
#
# 11 GLN QG 11 GLN QE2 3.18 (#peak 1456)
&rst
ixpk= 1456, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 170, 171,
igr2= 175, 176,
&end
#
# 11 GLN QG 12 ASN HN 4.10 (#peak 783)
&rst
ixpk= 783, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 170, 171,
&end
#
# 12 ASN HN 12 ASN HB2 3.67 (#peak 780)
&rst
ixpk= 780, nxpk= 0, iat= 180, 184, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 12 ASN HN 12 ASN HB3 3.67 (#peak 782)
&rst
ixpk= 782, nxpk= 0, iat= 180, 185, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 12 ASN HN 13 THR HN 3.67 (#peak 775)
&rst
ixpk= 775, nxpk= 0, iat= 180, 194, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 12 ASN HN 13 THR HB 4.91 (#peak 132)
&rst
ixpk= 132, nxpk= 0, iat= 180, 198, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 12 ASN HN 13 THR QG2 4.52 (#peak 2026)
&rst
ixpk= 2026, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 200, 201, 202,
&end
#
# 12 ASN HA 12 ASN QD2 4.74 (#peak 1392)
&rst
ixpk= 1392, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 189, 190,
&end
#
# 12 ASN HA 13 THR HA 5.11 (#peak 125)
&rst
ixpk= 125, nxpk= 0, iat= 182, 196, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 12 ASN HA 13 THR HB 6.00 (#peak 129 )
&rst
ixpk= 129, nxpk= 0, iat= 182, 198, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 ASN HA 13 THR QG2 5.50 (#peak 2028 )
&rst
ixpk= 2028, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 200, 201, 202,
&end
#
# 12 ASN HA 15 LEU HN 5.00 (#)
&rst
ixpk= 2028, nxpk= 0, iat= 182, 228, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 ASN HB2 12 ASN HD21 4.08 (#peak 118)
&rst
ixpk= 118, nxpk= 0, iat= 184, 189, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 12 ASN HB2 12 ASN HD22 4.08 (#peak 121)
&rst
ixpk= 121, nxpk= 0, iat= 184, 190, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 12 ASN HB2 13 THR HN 4.34 (#peak 1325)
&rst
ixpk= 1325, nxpk= 0, iat= 184, 194, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 12 ASN HB3 12 ASN HD21 4.08 (#peak 1385)
&rst
ixpk= 1385, nxpk= 0, iat= 185, 189, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 12 ASN HB3 12 ASN HD22 4.08 (#peak 1381)
&rst
ixpk= 1381, nxpk= 0, iat= 185, 190, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 12 ASN HB3 13 THR HN 4.34 (#peak 1326)
&rst
ixpk= 1326, nxpk= 0, iat= 185, 194, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 12 ASN QB 12 ASN QD2 2.97 (#peak 1385)
&rst
ixpk= 1385, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 184, 185,
igr2= 189, 190,
&end
#
# 12 ASN QB 13 THR HN 3.78 (#peak 1326)
&rst
ixpk= 1326, nxpk= 0, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 184, 185,
&end
#
# 12 ASN QB 15 LEU HN 5.00 (#)
&rst
ixpk= 1326, nxpk= 0, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 184, 185,
&end
#
# 12 ASN QB 15 LEU HN 5.00 (#)
&rst
ixpk= 1326, nxpk= 0, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 184, 185,
&end
#
# 12 ASN QB 15 LEU HN 5.34 (#peak 3000)
&rst
ixpk= 3000, nxpk= 0, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 184, 185,
&end
#
# 12 ASN QB 16 ASP HN 5.34 (#peak 1171)
&rst
ixpk= 1171, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 184, 185,
&end
#
# 13 THR HN 13 THR HB 3.56 (#peak 1324)
&rst
ixpk= 1324, nxpk= 0, iat= 194, 198, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 13 THR HN 13 THR QG2 2.93 (#peak 1328)
&rst
ixpk= 1328, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 200, 201, 202,
&end
#
# 13 THR HN 15 LEU HN 4.50 (#peak 1785)
&rst
ixpk= 1785, nxpk= 0, iat= 194, 228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 THR HN 15 LEU HN 5.00 (#)
&rst
ixpk= 1785, nxpk= 0, iat= 194, 228, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 THR HN 16 ASP HN 4.91 (#peak 1322)
&rst
ixpk= 1322, nxpk= 0, iat= 194, 247, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 13 THR HN 16 ASP HB2 4.98 (#peak 170)
&rst
ixpk= 170, nxpk= 0, iat= 194, 251, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 13 THR HN 16 ASP HB3 6.00 (#peak 1327 )
&rst
ixpk= 1327, nxpk= 0, iat= 194, 252, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 THR HA 13 THR QG2 3.36 (#peak 98)
&rst
ixpk= 98, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 200, 201, 202,
&end
#
# 13 THR HA 16 ASP HN 4.49 (#peak 123)
&rst
ixpk= 123, nxpk= 0, iat= 196, 247, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 13 THR HA 16 ASP HB2 3.96 (#peak 172)
&rst
ixpk= 172, nxpk= 0, iat= 196, 251, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 13 THR HA 16 ASP HB3 4.15 (#peak 127)
&rst
ixpk= 127, nxpk= 0, iat= 196, 252, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 13 THR HB 14 PHE HN 4.16 (#peak 130)
&rst
ixpk= 130, nxpk= 0, iat= 198, 208, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 13 THR HB 14 PHE QB 5.34 (#peak 134)
&rst
ixpk= 134, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 212, 213,
&end
#
# 13 THR HB 15 LEU HN 6.00 (#peak 131 )
&rst
ixpk= 131, nxpk= 0, iat= 198, 228, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 THR QG2 14 PHE HN 3.80 (#peak 429)
&rst
ixpk= 429, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 200, 201, 202,
&end
#
# 13 THR QG2 15 LEU HN 4.30 (#peak 803)
&rst
ixpk= 803, nxpk= 0, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 200, 201, 202,
&end
#
# 13 THR QG2 16 ASP HN 4.93 (#peak 2027)
&rst
ixpk= 2027, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 200, 201, 202,
&end
#
# 13 THR QG2 16 ASP HB2 5.50 (#peak 2030 )
&rst
ixpk= 2030, nxpk= 0, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 200, 201, 202,
&end
#
# 14 PHE HN 14 PHE HB2 3.17 (#peak 424)
&rst
ixpk= 424, nxpk= 0, iat= 208, 212, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 14 PHE HN 14 PHE HB3 3.17 (#peak 425)
&rst
ixpk= 425, nxpk= 0, iat= 208, 213, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 14 PHE HN 14 PHE HD 6.02 (#peak 432)
&rst
ixpk= 432, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2= 216, 224,
&end
#
# 14 PHE HN 15 LEU HN 3.34 (#peak 434)
&rst
ixpk= 434, nxpk= 0, iat= 208, 228, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 14 PHE HN 15 LEU HB2 5.46 (#peak 430)
&rst
ixpk= 430, nxpk= 0, iat= 208, 232, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 14 PHE HN 15 LEU HB3 5.00 (#peak 428)
&rst
ixpk= 428, nxpk= 0, iat= 208, 233, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 PHE HN 16 ASP HN 4.37 (#peak 1784)
&rst
ixpk= 1784, nxpk= 0, iat= 208, 247, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 14 PHE HA 14 PHE HD 5.61 (#peak 4)
&rst
ixpk= 4, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 216, 224,
&end
#
# 14 PHE HA 16 ASP HN 5.00 (#peak 1169)
&rst
ixpk= 1169, nxpk= 0, iat= 210, 247, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 PHE HA 17 THR HN 4.00 (#)
&rst
ixpk= 1169, nxpk= 0, iat= 210, 259, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 PHE HA 17 THR HN 4.14 (#peak 5)
&rst
ixpk= 5, nxpk= 0, iat= 210, 259, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 14 PHE HA 17 THR HN 5.00 (#peak 135 )
&rst
ixpk= 135, nxpk= 0, iat= 210, 259, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 PHE HA 17 THR HB 4.60 (#peak 188)
&rst
ixpk= 188, nxpk= 0, iat= 210, 263, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 14 PHE HA 17 THR QG2 5.00 (#peak 2055 )
&rst
ixpk= 2055, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 265, 266, 267,
&end
#
# 14 PHE HB2 15 LEU HN 3.77 (#peak 798)
&rst
ixpk= 798, nxpk= 0, iat= 212, 228, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 14 PHE HB3 15 LEU HN 3.77 (#peak 799)
&rst
ixpk= 799, nxpk= 0, iat= 213, 228, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 14 PHE HD 15 LEU HN 6.56 (#peak 795)
&rst
ixpk= 795, nxpk= 0, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1= 216, 224,
&end
#
# 14 PHE HD 17 THR QG2 6.88 (#peak 2054)
&rst
ixpk= 2054, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77,
igr1= 216, 224,
igr2= 265, 266, 267,
&end
#
# 14 PHE HD 18 ILE QD1 7.50 (#peak 2093 )
&rst
ixpk= 2093, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.11, r4=10.61,
igr1= 216, 224,
igr2= 286, 287, 288,
&end
#
# 14 PHE HD 18 ILE QG2 7.50 (#peak 2089 )
&rst
ixpk= 2089, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.11, r4=10.61,
igr1= 216, 224,
igr2= 279, 280, 281,
&end
#
# 15 LEU HN 15 LEU HB2 3.04 (#peak 801)
&rst
ixpk= 801, nxpk= 0, iat= 228, 232, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 15 LEU HN 15 LEU HB3 3.10 (#peak 800)
&rst
ixpk= 800, nxpk= 0, iat= 228, 233, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 15 LEU HN 15 LEU HG 4.38 (#peak 2546)
&rst
ixpk= 2546, nxpk= 0, iat= 228, 235, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 15 LEU HN 15 LEU QD1 4.32 (#peak 2050)
&rst
ixpk= 2050, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 237, 238, 239,
&end
#
# 15 LEU HN 15 LEU QD2 4.35 (#peak 2031)
&rst
ixpk= 2031, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 241, 242, 243,
&end
#
# 15 LEU HN 16 ASP HN 3.23 (#peak 1164)
&rst
ixpk= 1164, nxpk= 0, iat= 228, 247, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 15 LEU HN 17 THR HN 4.51 (#peak 1783)
&rst
ixpk= 1783, nxpk= 0, iat= 228, 259, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 15 LEU HN 17 THR HN 5.00 (#)
&rst
ixpk= 1783, nxpk= 0, iat= 228, 259, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 LEU HA 15 LEU QD1 3.01 (#peak 2036)
&rst
ixpk= 2036, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 237, 238, 239,
&end
#
# 15 LEU HA 15 LEU QD2 4.13 (#peak 2034)
&rst
ixpk= 2034, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 241, 242, 243,
&end
#
# 15 LEU HA 18 ILE HN 3.80 (#peak 522)
&rst
ixpk= 522, nxpk= 0, iat= 230, 273, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 15 LEU HA 18 ILE HB 3.71 (#peak 136)
&rst
ixpk= 136, nxpk= 0, iat= 230, 277, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 15 LEU HA 18 ILE HG12 4.43 (#peak 2075)
&rst
ixpk= 2075, nxpk= 0, iat= 230, 283, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 15 LEU HA 18 ILE HG13 4.35 (#peak 139)
&rst
ixpk= 139, nxpk= 0, iat= 230, 284, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 15 LEU HA 18 ILE QD1 4.52 (#peak 141)
&rst
ixpk= 141, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 286, 287, 288,
&end
#
# 15 LEU HA 18 ILE QG2 4.64 (#peak 2080)
&rst
ixpk= 2080, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 279, 280, 281,
&end
#
# 15 LEU HA 19 ILE HN 4.80 (#peak 2998)
&rst
ixpk= 2998, nxpk= 0, iat= 230, 292, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 15 LEU HB2 15 LEU QD1 3.16 (#peak 2039)
&rst
ixpk= 2039, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 237, 238, 239,
&end
#
# 15 LEU HB2 15 LEU QD2 3.17 (#peak 1010)
&rst
ixpk= 1010, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 241, 242, 243,
&end
#
# 15 LEU HB2 16 ASP HN 4.58 (#peak 148)
&rst
ixpk= 148, nxpk= 0, iat= 232, 247, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 15 LEU HB3 15 LEU QD1 3.29 (#peak 2038)
&rst
ixpk= 2038, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 237, 238, 239,
&end
#
# 15 LEU HB3 15 LEU QD2 3.02 (#peak 1009)
&rst
ixpk= 1009, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 241, 242, 243,
&end
#
# 15 LEU HB3 16 ASP HN 3.32 (#peak 1174)
&rst
ixpk= 1174, nxpk= 0, iat= 233, 247, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 15 LEU HG 16 ASP HN 3.93 (#peak 1175)
&rst
ixpk= 1175, nxpk= 0, iat= 235, 247, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 15 LEU HG 16 ASP HA 4.05 (#peak 2896)
&rst
ixpk= 2896, nxpk= 0, iat= 235, 249, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 15 LEU HG 17 THR HN 5.38 (#peak 1348)
&rst
ixpk= 1348, nxpk= 0, iat= 235, 259, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 15 LEU HG 18 ILE HN 5.00 (#peak 518)
&rst
ixpk= 518, nxpk= 0, iat= 235, 273, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 LEU HG 19 ILE QD1 3.27 (#peak 2670)
&rst
ixpk= 2670, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 305, 306, 307,
&end
#
# 15 LEU QD1 16 ASP HN 4.47 (#peak 2048)
&rst
ixpk= 2048, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 237, 238, 239,
&end
#
# 15 LEU QD1 17 THR HN 5.07 (#peak 2049)
&rst
ixpk= 2049, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 237, 238, 239,
&end
#
# 15 LEU QD1 18 ILE HN 4.66 (#peak 2047)
&rst
ixpk= 2047, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 237, 238, 239,
&end
#
# 15 LEU QD1 18 ILE HB 3.29 (#peak 2037)
&rst
ixpk= 2037, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 237, 238, 239,
&end
#
# 15 LEU QD1 18 ILE HG13 3.15 (#peak 2040)
&rst
ixpk= 2040, nxpk= 0, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 237, 238, 239,
&end
#
# 15 LEU QD1 19 ILE HA 4.26 (#peak 2043)
&rst
ixpk= 2043, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 237, 238, 239,
&end
#
# 15 LEU QD1 19 ILE QD1 3.10 (#peak 2041)
&rst
ixpk= 2041, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 237, 238, 239,
igr2= 305, 306, 307,
&end
#
# 15 LEU QD1 22 PHE HD 6.10 (#peak 2045)
&rst
ixpk= 2045, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
igr1= 237, 238, 239,
igr2= 365, 373,
&end
#
# 15 LEU QD2 16 ASP HN 4.67 (#peak 2032)
&rst
ixpk= 2032, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 241, 242, 243,
&end
#
# 15 LEU QD2 19 ILE QD1 3.17 (#peak 1011)
&rst
ixpk= 1011, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 241, 242, 243,
igr2= 305, 306, 307,
&end
#
# 15 LEU QD2 22 PHE HD 7.00 (#peak 2033)
&rst
ixpk= 2033, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 241, 242, 243,
igr2= 365, 373,
&end
#
# 16 ASP HN 16 ASP HB2 2.96 (#peak 1172)
&rst
ixpk= 1172, nxpk= 0, iat= 247, 251, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 16 ASP HN 16 ASP HB3 3.20 (#peak 1173)
&rst
ixpk= 1173, nxpk= 0, iat= 247, 252, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 16 ASP HN 17 THR HN 3.14 (#peak 1338)
&rst
ixpk= 1338, nxpk= 0, iat= 247, 259, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 16 ASP HN 18 ILE HN 4.33 (#peak 525)
&rst
ixpk= 525, nxpk= 0, iat= 247, 273, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 16 ASP HN 19 ILE HG13 5.18 (#peak 1179)
&rst
ixpk= 1179, nxpk= 0, iat= 247, 303, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 16 ASP HN 19 ILE QD1 4.92 (#peak 2677)
&rst
ixpk= 2677, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 305, 306, 307,
&end
#
# 16 ASP HA 18 ILE HB 5.50 (#peak 205)
&rst
ixpk= 205, nxpk= 0, iat= 249, 277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ASP HA 19 ILE HN 3.70 (#peak 1644)
&rst
ixpk= 1644, nxpk= 0, iat= 249, 292, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 16 ASP HA 19 ILE HB 3.76 (#peak 157)
&rst
ixpk= 157, nxpk= 0, iat= 249, 296, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 16 ASP HA 19 ILE HG12 4.42 (#peak 159)
&rst
ixpk= 159, nxpk= 0, iat= 249, 302, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 16 ASP HA 19 ILE HG13 4.26 (#peak 162)
&rst
ixpk= 162, nxpk= 0, iat= 249, 303, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 16 ASP HA 19 ILE QD1 5.00 (#peak 161)
&rst
ixpk= 161, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 305, 306, 307,
&end
#
# 16 ASP HA 19 ILE QG2 4.28 (#peak 2652)
&rst
ixpk= 2652, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 298, 299, 300,
&end
#
# 16 ASP HA 20 ARG HN 5.50 (#peak 1261)
&rst
ixpk= 1261, nxpk= 0, iat= 249, 311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ASP HB2 17 THR HN 3.79 (#peak 1342)
&rst
ixpk= 1342, nxpk= 0, iat= 251, 259, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 16 ASP HB2 19 ILE HN 6.00 (#peak 1748 )
&rst
ixpk= 1748, nxpk= 0, iat= 251, 292, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 ASP HB3 17 THR HN 3.71 (#peak 1343)
&rst
ixpk= 1343, nxpk= 0, iat= 252, 259, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 17 THR HN 17 THR HB 2.93 (#peak 1340)
&rst
ixpk= 1340, nxpk= 0, iat= 259, 263, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 17 THR HN 17 THR QG2 3.85 (#peak 1345)
&rst
ixpk= 1345, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 265, 266, 267,
&end
#
# 17 THR HN 18 ILE HN 3.09 (#peak 1337)
&rst
ixpk= 1337, nxpk= 0, iat= 259, 273, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 17 THR HN 18 ILE HB 4.95 (#peak 208)
&rst
ixpk= 208, nxpk= 0, iat= 259, 277, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 17 THR HN 18 ILE HG12 4.60 (#peak 1346)
&rst
ixpk= 1346, nxpk= 0, iat= 259, 283, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 17 THR HN 18 ILE QG2 6.00 (#peak 1352 )
&rst
ixpk= 1352, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 279, 280, 281,
&end
#
# 17 THR HN 19 ILE HN 4.03 (#peak 1336)
&rst
ixpk= 1336, nxpk= 0, iat= 259, 292, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 17 THR HN 19 ILE HB 5.47 (#peak 1349)
&rst
ixpk= 1349, nxpk= 0, iat= 259, 296, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 17 THR HA 17 THR QG2 2.85 (#peak 2058)
&rst
ixpk= 2058, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 265, 266, 267,
&end
#
# 17 THR HA 19 ILE HB 5.00 (#peak 2641)
&rst
ixpk= 2641, nxpk= 0, iat= 261, 296, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 THR HA 20 ARG HN 4.00 (#)
&rst
ixpk= 2641, nxpk= 0, iat= 261, 311, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 THR HA 20 ARG HD2 5.50 (#peak 177 )
&rst
ixpk= 177, nxpk= 0, iat= 261, 321, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 THR HA 20 ARG QB 5.50 (#peak 178 )
&rst
ixpk= 178, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 315, 316,
&end
#
# 17 THR HA 20 ARG QG 5.34 (#peak 179)
&rst
ixpk= 179, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 318, 319,
&end
#
# 17 THR HA 21 LYS HN 5.50 (#peak 183 )
&rst
ixpk= 183, nxpk= 0, iat= 261, 335, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 THR HB 18 ILE HN 3.49 (#peak 523)
&rst
ixpk= 523, nxpk= 0, iat= 263, 273, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 17 THR HB 18 ILE HA 4.77 (#peak 199)
&rst
ixpk= 199, nxpk= 0, iat= 263, 275, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 17 THR HB 18 ILE HB 5.50 (#peak 205)
&rst
ixpk= 205, nxpk= 0, iat= 263, 277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 THR HB 18 ILE QD1 4.47 (#peak 2095)
&rst
ixpk= 2095, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 286, 287, 288,
&end
#
# 17 THR HB 20 ARG HN 6.00 (#)
&rst
ixpk= 2095, nxpk= 0, iat= 263, 311, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 THR QG2 18 ILE HN 3.94 (#peak 2053)
&rst
ixpk= 2053, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 265, 266, 267,
&end
#
# 17 THR QG2 18 ILE HA 3.71 (#peak 2059)
&rst
ixpk= 2059, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 265, 266, 267,
&end
#
# 18 ILE HN 18 ILE HB 2.99 (#peak 520)
&rst
ixpk= 520, nxpk= 0, iat= 273, 277, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 18 ILE HN 18 ILE HG12 3.30 (#peak 515)
&rst
ixpk= 515, nxpk= 0, iat= 273, 283, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 18 ILE HN 18 ILE HG13 4.30 (#peak 2073)
&rst
ixpk= 2073, nxpk= 0, iat= 273, 284, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 18 ILE HN 18 ILE QD1 3.75 (#peak 513)
&rst
ixpk= 513, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 286, 287, 288,
&end
#
# 18 ILE HN 18 ILE QG2 3.89 (#peak 514)
&rst
ixpk= 514, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 279, 280, 281,
&end
#
# 18 ILE HN 19 ILE HN 3.29 (#peak 526)
&rst
ixpk= 526, nxpk= 0, iat= 273, 292, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 18 ILE HN 19 ILE HB 4.79 (#peak 519)
&rst
ixpk= 519, nxpk= 0, iat= 273, 296, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 18 ILE HN 19 ILE HG12 4.42 (#peak 517)
&rst
ixpk= 517, nxpk= 0, iat= 273, 302, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 18 ILE HN 19 ILE QD1 5.00 (#peak 2675)
&rst
ixpk= 2675, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 305, 306, 307,
&end
#
# 18 ILE HA 18 ILE HG12 4.14 (#peak 195)
&rst
ixpk= 195, nxpk= 0, iat= 275, 283, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 18 ILE HA 18 ILE QD1 3.26 (#peak 2097)
&rst
ixpk= 2097, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 286, 287, 288,
&end
#
# 18 ILE HA 18 ILE QG2 3.24 (#peak 2078)
&rst
ixpk= 2078, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 279, 280, 281,
&end
#
# 18 ILE HA 20 ARG HN 4.50 (#peak 202)
&rst
ixpk= 202, nxpk= 0, iat= 275, 311, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 ILE HA 21 LYS HN 3.85 (#peak 1026)
&rst
ixpk= 1026, nxpk= 0, iat= 275, 335, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 18 ILE HA 21 LYS HA 5.34 (#peak 198)
&rst
ixpk= 198, nxpk= 0, iat= 275, 337, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 18 ILE HA 21 LYS HB2 4.22 (#peak 262)
&rst
ixpk= 262, nxpk= 0, iat= 275, 339, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 18 ILE HA 21 LYS HB3 4.44 (#peak 192)
&rst
ixpk= 192, nxpk= 0, iat= 275, 340, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 18 ILE HA 21 LYS QD 4.26 (#peak 193)
&rst
ixpk= 193, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 345, 346,
&end
#
# 18 ILE HB 18 ILE QD1 3.41 (#peak 2098)
&rst
ixpk= 2098, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 286, 287, 288,
&end
#
# 18 ILE HB 19 ILE HN 3.47 (#peak 727)
&rst
ixpk= 727, nxpk= 0, iat= 277, 292, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 18 ILE HB 19 ILE HG12 4.54 (#peak 215)
&rst
ixpk= 215, nxpk= 0, iat= 277, 302, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 18 ILE HG12 19 ILE HN 4.35 (#peak 761)
&rst
ixpk= 761, nxpk= 0, iat= 283, 292, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 18 ILE HG12 19 ILE HN 5.50 (#peak 732 )
&rst
ixpk= 732, nxpk= 0, iat= 283, 292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ILE QD1 19 ILE HN 4.77 (#peak 1749)
&rst
ixpk= 1749, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 286, 287, 288,
&end
#
# 18 ILE QD1 21 LYS HB2 4.01 (#peak 2099)
&rst
ixpk= 2099, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 286, 287, 288,
&end
#
# 18 ILE QD1 21 LYS QD 4.00 (#peak 2100)
&rst
ixpk= 2100, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 286, 287, 288,
igr2= 345, 346,
&end
#
# 18 ILE QG2 18 ILE HG12 3.49 (#peak 2083)
&rst
ixpk= 2083, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 279, 280, 281,
&end
#
# 18 ILE QG2 18 ILE HG13 3.38 (#peak 2082)
&rst
ixpk= 2082, nxpk= 0, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 279, 280, 281,
&end
#
# 18 ILE QG2 19 ILE HN 4.19 (#peak 2085)
&rst
ixpk= 2085, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 279, 280, 281,
&end
#
# 18 ILE QG2 19 ILE HA 4.40 (#peak 2079)
&rst
ixpk= 2079, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 279, 280, 281,
&end
#
# 18 ILE QG2 20 ARG HN 5.47 (#peak 2086)
&rst
ixpk= 2086, nxpk= 0, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 279, 280, 281,
&end
#
# 18 ILE QG2 21 LYS HB3 4.15 (#peak 2081)
&rst
ixpk= 2081, nxpk= 0, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 279, 280, 281,
&end
#
# 18 ILE QG2 22 PHE HN 4.33 (#peak 1190)
&rst
ixpk= 1190, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 279, 280, 281,
&end
#
# 18 ILE QG2 22 PHE HD 5.70 (#peak 2091)
&rst
ixpk= 2091, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr1= 279, 280, 281,
igr2= 365, 373,
&end
#
# 19 ILE HN 19 ILE HB 3.14 (#peak 728)
&rst
ixpk= 728, nxpk= 0, iat= 292, 296, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 19 ILE HN 19 ILE HG12 3.39 (#peak 730)
&rst
ixpk= 730, nxpk= 0, iat= 292, 302, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 19 ILE HN 19 ILE HG13 3.85 (#peak 734)
&rst
ixpk= 734, nxpk= 0, iat= 292, 303, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 19 ILE HN 19 ILE QD1 3.51 (#peak 733)
&rst
ixpk= 733, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 305, 306, 307,
&end
#
# 19 ILE HN 19 ILE QG2 3.77 (#peak 731)
&rst
ixpk= 731, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 298, 299, 300,
&end
#
# 19 ILE HN 20 ARG HN 3.34 (#peak 1258)
&rst
ixpk= 1258, nxpk= 0, iat= 292, 311, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 19 ILE HN 20 ARG HE 5.50 (#peak 1779)
&rst
ixpk= 1779, nxpk= 0, iat= 292, 324, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 ILE HN 20 ARG QB 5.34 (#peak 729)
&rst
ixpk= 729, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 315, 316,
&end
#
# 19 ILE HN 21 LYS HN 4.44 (#peak 1021)
&rst
ixpk= 1021, nxpk= 0, iat= 292, 335, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 19 ILE HN 22 PHE HD 6.55 (#peak 718)
&rst
ixpk= 718, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr2= 365, 373,
&end
#
# 19 ILE HA 19 ILE HG13 4.06 (#peak 226)
&rst
ixpk= 226, nxpk= 0, iat= 294, 303, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 19 ILE HA 19 ILE QD1 3.67 (#peak 2666)
&rst
ixpk= 2666, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 305, 306, 307,
&end
#
# 19 ILE HA 19 ILE QG2 3.20 (#peak 2133)
&rst
ixpk= 2133, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 298, 299, 300,
&end
#
# 19 ILE HA 20 ARG HA 5.47 (#peak 237)
&rst
ixpk= 237, nxpk= 0, iat= 294, 313, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 19 ILE HA 21 LYS HN 4.15 (#peak 218)
&rst
ixpk= 218, nxpk= 0, iat= 294, 335, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 19 ILE HA 21 LYS HN 5.00 (#)
&rst
ixpk= 218, nxpk= 0, iat= 294, 335, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 ILE HA 23 GLU HN 5.00 (#)
&rst
ixpk= 218, nxpk= 0, iat= 294, 377, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 ILE HA 23 GLU HB2 4.68 (#peak 220)
&rst
ixpk= 220, nxpk= 0, iat= 294, 381, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 19 ILE HB 19 ILE QD1 3.30 (#peak 2669)
&rst
ixpk= 2669, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 305, 306, 307,
&end
#
# 19 ILE HB 20 ARG HN 3.28 (#peak 1269)
&rst
ixpk= 1269, nxpk= 0, iat= 296, 311, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 19 ILE HB 23 GLU HB2 4.64 (#peak 2638)
&rst
ixpk= 2638, nxpk= 0, iat= 296, 381, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 19 ILE HG12 20 ARG HN 4.58 (#peak 1270)
&rst
ixpk= 1270, nxpk= 0, iat= 302, 311, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 19 ILE HG13 20 ARG HN 5.08 (#peak 1275)
&rst
ixpk= 1275, nxpk= 0, iat= 303, 311, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 19 ILE QD1 20 ARG HN 4.71 (#peak 2676)
&rst
ixpk= 2676, nxpk= 0, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 305, 306, 307,
&end
#
# 19 ILE QD1 22 PHE HD 5.92 (#peak 2674)
&rst
ixpk= 2674, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1= 305, 306, 307,
igr2= 365, 373,
&end
#
# 19 ILE QD1 23 GLU HA 5.25 (#peak 2668)
&rst
ixpk= 2668, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 305, 306, 307,
&end
#
# 19 ILE QG2 19 ILE HG12 3.60 (#peak 2656)
&rst
ixpk= 2656, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 298, 299, 300,
&end
#
# 19 ILE QG2 19 ILE HG13 3.30 (#peak 2658)
&rst
ixpk= 2658, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 298, 299, 300,
&end
#
# 19 ILE QG2 19 ILE QD1 2.81 (#peak 2672)
&rst
ixpk= 2672, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 298, 299, 300,
igr2= 305, 306, 307,
&end
#
# 19 ILE QG2 20 ARG HN 3.41 (#peak 1272)
&rst
ixpk= 1272, nxpk= 0, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 298, 299, 300,
&end
#
# 19 ILE QG2 20 ARG HA 3.87 (#peak 246)
&rst
ixpk= 246, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 298, 299, 300,
&end
#
# 19 ILE QG2 22 PHE HD 6.23 (#peak 2661)
&rst
ixpk= 2661, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1= 298, 299, 300,
igr2= 365, 373,
&end
#
# 19 ILE QG2 23 GLU HA 4.57 (#peak 2659)
&rst
ixpk= 2659, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 298, 299, 300,
&end
#
# 19 ILE QG2 23 GLU HB2 4.54 (#peak 302)
&rst
ixpk= 302, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 298, 299, 300,
&end
#
# 19 ILE QG2 23 GLU HB3 4.32 (#peak 301)
&rst
ixpk= 301, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 298, 299, 300,
&end
#
# 19 ILE QG2 23 GLU HG2 4.80 (#peak 2802)
&rst
ixpk= 2802, nxpk= 0, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 298, 299, 300,
&end
#
# 19 ILE QG2 23 GLU HG3 4.80 (#peak 2654)
&rst
ixpk= 2654, nxpk= 0, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 298, 299, 300,
&end
#
# 20 ARG HN 20 ARG QB 2.70 (#peak 1268)
&rst
ixpk= 1268, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 315, 316,
&end
#
# 20 ARG HN 20 ARG QG 3.39 (#peak 1269)
&rst
ixpk= 1269, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 318, 319,
&end
#
# 20 ARG HN 21 LYS HN 3.03 (#peak 1020)
&rst
ixpk= 1020, nxpk= 0, iat= 311, 335, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 20 ARG HN 22 PHE HN 5.00 (#)
&rst
ixpk= 1020, nxpk= 0, iat= 311, 357, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ARG HN 23 GLU HA 6.00 (#peak 587 )
&rst
ixpk= 587, nxpk= 0, iat= 311, 379, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 20 ARG HA 20 ARG HD2 5.50 (#peak 2768)
&rst
ixpk= 2768, nxpk= 0, iat= 313, 321, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ARG HA 20 ARG HD3 5.50 (#peak 2768)
&rst
ixpk= 2768, nxpk= 0, iat= 313, 322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ARG HA 20 ARG HG2 3.98 (#peak 2135)
&rst
ixpk= 2135, nxpk= 0, iat= 313, 318, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 20 ARG HA 20 ARG HG3 3.98 (#peak 244)
&rst
ixpk= 244, nxpk= 0, iat= 313, 319, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 20 ARG HA 20 ARG QG 3.13 (#peak 244)
&rst
ixpk= 244, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 318, 319,
&end
#
# 20 ARG HA 23 GLU HN 3.94 (#peak 233)
&rst
ixpk= 233, nxpk= 0, iat= 313, 377, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 20 ARG HA 23 GLU HA 4.96 (#peak 589)
&rst
ixpk= 589, nxpk= 0, iat= 313, 379, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 20 ARG HA 23 GLU HB2 4.15 (#peak 294)
&rst
ixpk= 294, nxpk= 0, iat= 313, 381, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 20 ARG HA 23 GLU HB3 3.12 (#peak 241)
&rst
ixpk= 241, nxpk= 0, iat= 313, 382, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 20 ARG HA 23 GLU HG2 4.98 (#peak 2189)
&rst
ixpk= 2189, nxpk= 0, iat= 313, 384, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 20 ARG HA 23 GLU HG3 4.98 (#peak 2187)
&rst
ixpk= 2187, nxpk= 0, iat= 313, 385, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 20 ARG HA 23 GLU QG 4.28 (#peak 2187)
&rst
ixpk= 2187, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 384, 385,
&end
#
# 20 ARG HE 21 LYS HN 5.33 (#peak 1022)
&rst
ixpk= 1022, nxpk= 0, iat= 324, 335, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 20 ARG QB 20 ARG HE 4.28 (#peak 1679)
&rst
ixpk= 1679, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 315, 316,
&end
#
# 20 ARG QB 21 LYS HN 3.23 (#peak 1028)
&rst
ixpk= 1028, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1= 315, 316,
&end
#
# 20 ARG QB 23 GLU HN 5.00 (#)
&rst
ixpk= 1028, nxpk= 0, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 315, 316,
&end
#
# 20 ARG QB 23 GLU HN 5.34 (#peak 729)
&rst
ixpk= 729, nxpk= 0, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 315, 316,
&end
#
# 20 ARG QD 23 GLU HB2 5.50 (#peak 2612 )
&rst
ixpk= 2612, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 321, 322,
&end
#
# 21 LYS HN 21 LYS HB2 2.85 (#peak 1029)
&rst
ixpk= 1029, nxpk= 0, iat= 335, 339, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 21 LYS HN 21 LYS HB3 3.22 (#peak 1030)
&rst
ixpk= 1030, nxpk= 0, iat= 335, 340, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 21 LYS HN 21 LYS HD2 4.69 (#peak 1031)
&rst
ixpk= 1031, nxpk= 0, iat= 335, 345, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 21 LYS HN 21 LYS HD3 4.69 (#peak 2160)
&rst
ixpk= 2160, nxpk= 0, iat= 335, 346, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 21 LYS HN 21 LYS HG2 4.98 (#peak 2151)
&rst
ixpk= 2151, nxpk= 0, iat= 335, 342, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 21 LYS HN 21 LYS HG3 4.98 (#peak 1032)
&rst
ixpk= 1032, nxpk= 0, iat= 335, 343, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 21 LYS HN 21 LYS QD 4.06 (#peak 2160)
&rst
ixpk= 2160, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 345, 346,
&end
#
# 21 LYS HN 21 LYS QE 6.00 (#peak 2185 )
&rst
ixpk= 2185, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 348, 349,
&end
#
# 21 LYS HN 21 LYS QG 4.15 (#peak 1032)
&rst
ixpk= 1032, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 342, 343,
&end
#
# 21 LYS HN 22 PHE HN 3.07 (#peak 1181)
&rst
ixpk= 1181, nxpk= 0, iat= 335, 357, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 21 LYS HN 22 PHE HD 6.70 (#peak 1023)
&rst
ixpk= 1023, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr2= 365, 373,
&end
#
# 21 LYS HN 23 GLU HN 4.68 (#peak 1021)
&rst
ixpk= 1021, nxpk= 0, iat= 335, 377, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 21 LYS HN 23 GLU HB2 4.72 (#peak 1027)
&rst
ixpk= 1027, nxpk= 0, iat= 335, 381, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 21 LYS HA 21 LYS HB2 3.02 (#peak 258)
&rst
ixpk= 258, nxpk= 0, iat= 337, 339, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 21 LYS HA 21 LYS HB3 3.02 (#peak 259)
&rst
ixpk= 259, nxpk= 0, iat= 337, 340, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 21 LYS HA 21 LYS HD2 4.35 (#peak 257)
&rst
ixpk= 257, nxpk= 0, iat= 337, 345, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 21 LYS HA 21 LYS HD3 4.35 (#peak 2163)
&rst
ixpk= 2163, nxpk= 0, iat= 337, 346, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 21 LYS HA 21 LYS QD 3.79 (#peak 257)
&rst
ixpk= 257, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 345, 346,
&end
#
# 21 LYS HA 21 LYS QG 3.34 (#peak 256)
&rst
ixpk= 256, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 342, 343,
&end
#
# 21 LYS HA 23 GLU HN 4.68 (#peak 2997)
&rst
ixpk= 2997, nxpk= 0, iat= 337, 377, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 21 LYS HA 23 GLU HN 5.00 (#)
&rst
ixpk= 2997, nxpk= 0, iat= 337, 377, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 LYS HB2 21 LYS QD 3.56 (#peak 266)
&rst
ixpk= 266, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 345, 346,
&end
#
# 21 LYS HB2 22 PHE HN 3.74 (#peak 1188)
&rst
ixpk= 1188, nxpk= 0, iat= 339, 357, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 21 LYS HB3 21 LYS HB3 5.00 (#peak 2179 )
#This appears to be self-referential: ignoring
#
# 21 LYS HB3 21 LYS QD 3.55 (#peak 267)
&rst
ixpk= 267, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 345, 346,
&end
#
# 21 LYS HB3 22 PHE HN 3.38 (#peak 1187)
&rst
ixpk= 1187, nxpk= 0, iat= 340, 357, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 21 LYS HB3 22 PHE HA 4.32 (#peak 280)
&rst
ixpk= 280, nxpk= 0, iat= 340, 359, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 21 LYS HG2 22 PHE HN 5.43 (#peak 2152)
&rst
ixpk= 2152, nxpk= 0, iat= 342, 357, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 21 LYS HG3 22 PHE HN 5.43 (#peak 2152)
&rst
ixpk= 2152, nxpk= 0, iat= 343, 357, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 21 LYS QE 22 PHE HD 8.00 (#peak 2182 )
&rst
ixpk= 2182, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 348, 349,
igr2= 365, 373,
&end
#
# 21 LYS QG 21 LYS QE 3.30 (#peak 2177)
&rst
ixpk= 2177, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 342, 343,
igr2= 348, 349,
&end
#
# 21 LYS QG 22 PHE HN 4.67 (#peak 2152)
&rst
ixpk= 2152, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 342, 343,
&end
#
# 22 PHE HN 22 PHE HB3 3.15 (#peak 1186)
&rst
ixpk= 1186, nxpk= 0, iat= 357, 362, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 22 PHE HN 22 PHE HD 5.62 (#peak 1182)
&rst
ixpk= 1182, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2= 365, 373,
&end
#
# 22 PHE HN 23 GLU HN 3.23 (#peak 1180)
&rst
ixpk= 1180, nxpk= 0, iat= 357, 377, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 22 PHE HN 23 GLU HB3 5.10 (#peak 1185)
&rst
ixpk= 1185, nxpk= 0, iat= 357, 382, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 22 PHE HA 22 PHE HD 5.93 (#peak 274)
&rst
ixpk= 274, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2= 365, 373,
&end
#
# 22 PHE HD 23 GLU HN 6.93 (#peak 718)
&rst
ixpk= 718, nxpk= 0, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 365, 373,
&end
#
# 22 PHE HD 23 GLU HA 6.65 (#peak 286)
&rst
ixpk= 286, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1= 365, 373,
&end
#
# 23 GLU HN 23 GLU HB2 3.13 (#peak 726)
&rst
ixpk= 726, nxpk= 0, iat= 377, 381, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 23 GLU HN 23 GLU HB3 3.25 (#peak 725)
&rst
ixpk= 725, nxpk= 0, iat= 377, 382, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 23 GLU HN 23 GLU HG2 4.81 (#peak 2191)
&rst
ixpk= 2191, nxpk= 0, iat= 377, 384, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 23 GLU HN 23 GLU HG3 4.81 (#peak 724)
&rst
ixpk= 724, nxpk= 0, iat= 377, 385, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 23 GLU HN 23 GLU QG 4.18 (#peak 2191)
&rst
ixpk= 2191, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 384, 385,
&end
#
# 23 GLU HN 24 GLY HN 3.94 (#peak 715)
&rst
ixpk= 715, nxpk= 0, iat= 377, 392, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 23 GLU HA 24 GLY HN 3.52 (#peak 285)
&rst
ixpk= 285, nxpk= 0, iat= 379, 392, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 23 GLU HA 24 GLY QA 5.23 (#peak 589)
&rst
ixpk= 589, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 394, 395,
&end
#
# 23 GLU HB2 24 GLY HN 4.33 (#peak 1530)
&rst
ixpk= 1530, nxpk= 0, iat= 381, 392, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 23 GLU HB3 24 GLY HN 3.80 (#peak 1529)
&rst
ixpk= 1529, nxpk= 0, iat= 382, 392, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 23 GLU HG2 24 GLY HN 5.04 (#peak 2192)
&rst
ixpk= 2192, nxpk= 0, iat= 384, 392, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 23 GLU HG3 24 GLY HN 5.04 (#peak 1528)
&rst
ixpk= 1528, nxpk= 0, iat= 385, 392, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 23 GLU QG 24 GLY HN 4.23 (#peak 2192)
&rst
ixpk= 2192, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 384, 385,
&end
#
# 23 GLU QG 24 GLY QA 4.71 (#peak 2187)
&rst
ixpk= 2187, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 384, 385,
igr2= 394, 395,
&end
#
# 24 GLY HN 25 GLN HN 3.96 (#peak 1089)
&rst
ixpk= 1089, nxpk= 0, iat= 392, 399, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 25 GLN HN 25 GLN HB2 3.70 (#peak 1082)
&rst
ixpk= 1082, nxpk= 0, iat= 399, 403, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 25 GLN HN 25 GLN HB3 3.70 (#peak 1083)
&rst
ixpk= 1083, nxpk= 0, iat= 399, 404, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 25 GLN HN 25 GLN HG2 4.62 (#peak 1081)
&rst
ixpk= 1081, nxpk= 0, iat= 399, 406, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 25 GLN HN 25 GLN HG3 4.62 (#peak 1774)
&rst
ixpk= 1774, nxpk= 0, iat= 399, 407, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 25 GLN HN 25 GLN QB 3.18 (#peak 1083)
&rst
ixpk= 1083, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 403, 404,
&end
#
# 25 GLN HN 25 GLN QG 4.06 (#peak 1774)
&rst
ixpk= 1774, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 406, 407,
&end
#
# 25 GLN HN 26 SER HN 3.64 (#peak 1372)
&rst
ixpk= 1372, nxpk= 0, iat= 399, 416, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 25 GLN HN 27 ARG HN 4.47 (#peak 1088)
&rst
ixpk= 1088, nxpk= 0, iat= 399, 427, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 25 GLN HN 27 ARG QG 5.25 (#peak 1084)
&rst
ixpk= 1084, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 434, 435,
&end
#
# 25 GLN HA 25 GLN QG 3.48 (#peak 2201)
&rst
ixpk= 2201, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 406, 407,
&end
#
# 25 GLN HA 26 SER HN 3.56 (#peak 30)
&rst
ixpk= 30, nxpk= 0, iat= 401, 416, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 25 GLN HB2 26 SER HN 4.38 (#peak 1377)
&rst
ixpk= 1377, nxpk= 0, iat= 403, 416, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 25 GLN HB2 27 ARG HN 5.50 (#peak 926)
&rst
ixpk= 926, nxpk= 0, iat= 403, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 GLN HB3 26 SER HN 4.38 (#peak 1378)
&rst
ixpk= 1378, nxpk= 0, iat= 404, 416, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 25 GLN HB3 27 ARG HN 5.50 (#peak 928)
&rst
ixpk= 928, nxpk= 0, iat= 404, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 GLN HG2 26 SER HN 5.50 (#peak 1376)
&rst
ixpk= 1376, nxpk= 0, iat= 406, 416, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 GLN HG3 26 SER HN 5.50 (#peak 1376)
&rst
ixpk= 1376, nxpk= 0, iat= 407, 416, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 GLN QB 26 SER HN 3.79 (#peak 1377)
&rst
ixpk= 1377, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 403, 404,
&end
#
# 25 GLN QB 27 ARG HN 4.76 (#peak 926)
&rst
ixpk= 926, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 403, 404,
&end
#
# 25 GLN QG 25 GLN QE2 3.23 (#peak 2625)
&rst
ixpk= 2625, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 406, 407,
igr2= 411, 412,
&end
#
# 25 GLN QG 26 SER HN 4.66 (#peak 1376)
&rst
ixpk= 1376, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 406, 407,
&end
#
# 26 SER HN 26 SER QB 3.67 (#peak 1375)
&rst
ixpk= 1375, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 420, 421,
&end
#
# 26 SER HN 27 ARG HN 3.63 (#peak 1373)
&rst
ixpk= 1373, nxpk= 0, iat= 416, 427, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 26 SER HA 27 ARG HN 3.56 (#peak 323)
&rst
ixpk= 323, nxpk= 0, iat= 418, 427, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 26 SER HB2 27 ARG HN 5.40 (#peak 924)
&rst
ixpk= 924, nxpk= 0, iat= 420, 427, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 26 SER HB3 27 ARG HN 5.40 (#peak 924)
&rst
ixpk= 924, nxpk= 0, iat= 421, 427, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 27 ARG HN 27 ARG HD2 5.50 (#peak 925)
&rst
ixpk= 925, nxpk= 0, iat= 427, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 ARG HN 27 ARG HD3 5.50 (#peak 925)
&rst
ixpk= 925, nxpk= 0, iat= 427, 438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 ARG HN 27 ARG HG2 4.08 (#peak 929)
&rst
ixpk= 929, nxpk= 0, iat= 427, 434, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 27 ARG HN 27 ARG HG3 4.08 (#peak 930)
&rst
ixpk= 930, nxpk= 0, iat= 427, 435, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 27 ARG HN 27 ARG QB 3.47 (#peak 927)
&rst
ixpk= 927, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 431, 432,
&end
#
# 27 ARG HN 27 ARG QG 3.38 (#peak 930)
&rst
ixpk= 930, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 434, 435,
&end
#
# 27 ARG HN 28 LYS HN 4.73 (#peak 1656)
&rst
ixpk= 1656, nxpk= 0, iat= 427, 451, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 27 ARG HA 27 ARG HD2 4.13 (#peak 332)
&rst
ixpk= 332, nxpk= 0, iat= 429, 437, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 27 ARG HA 27 ARG HD3 4.13 (#peak 2207)
&rst
ixpk= 2207, nxpk= 0, iat= 429, 438, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 27 ARG HA 27 ARG QD 3.55 (#peak 332)
&rst
ixpk= 332, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 437, 438,
&end
#
# 27 ARG HA 27 ARG QG 3.71 (#peak 2138)
&rst
ixpk= 2138, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 434, 435,
&end
#
# 27 ARG HA 28 LYS HN 3.40 (#peak 264)
&rst
ixpk= 264, nxpk= 0, iat= 429, 451, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 27 ARG HB2 28 LYS HN 4.05 (#peak 268)
&rst
ixpk= 268, nxpk= 0, iat= 431, 451, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 27 ARG HB3 28 LYS HN 4.05 (#peak 269)
&rst
ixpk= 269, nxpk= 0, iat= 432, 451, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 27 ARG HD2 28 LYS HN 4.56 (#peak 265)
&rst
ixpk= 265, nxpk= 0, iat= 437, 451, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 27 ARG HD2 29 PHE HD 7.50 (#peak 2212 )
&rst
ixpk= 2212, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2= 481, 489,
&end
#
# 27 ARG HD3 28 LYS HN 4.56 (#peak 2214)
&rst
ixpk= 2214, nxpk= 0, iat= 438, 451, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 27 ARG HD3 29 PHE HD 7.50 (#)
&rst
ixpk= 2214, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2= 481, 489,
&end
#
# 27 ARG HE 132 VAL QQG 5.50 (#peak 1968 )
&rst
ixpk= 1968, nxpk= 0, iat= 440,2074, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 27 ARG HG2 132 VAL QQG 5.50 (#peak 1964 )
&rst
ixpk= 1964, nxpk= 0, iat= 434,2074, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 27 ARG HG2 27 ARG HE 4.07 (#peak 1690)
&rst
ixpk= 1690, nxpk= 0, iat= 434, 440, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 27 ARG HG3 27 ARG HE 4.07 (#peak 1691)
&rst
ixpk= 1691, nxpk= 0, iat= 435, 440, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 27 ARG QB 27 ARG QD 3.21 (#peak 2216)
&rst
ixpk= 2216, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 431, 432,
igr2= 437, 438,
&end
#
# 27 ARG QB 28 LYS HN 3.39 (#peak 268)
&rst
ixpk= 268, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 431, 432,
&end
#
# 27 ARG QG 28 LYS HN 4.73 (#peak 272)
&rst
ixpk= 272, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 434, 435,
&end
#
# 28 LYS HN 130 GLU HB3 4.41 (#peak 269)
&rst
ixpk= 269, nxpk= 0, iat= 451,2045, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 28 LYS HN 28 LYS HD2 4.20 (#peak 270)
&rst
ixpk= 270, nxpk= 0, iat= 451, 461, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 28 LYS HN 28 LYS HD3 4.20 (#peak 271)
&rst
ixpk= 271, nxpk= 0, iat= 451, 462, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 28 LYS HN 28 LYS HG2 4.45 (#peak 273)
&rst
ixpk= 273, nxpk= 0, iat= 451, 458, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 28 LYS HN 28 LYS HG3 4.45 (#peak 273)
&rst
ixpk= 273, nxpk= 0, iat= 451, 459, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 28 LYS HN 28 LYS QD 3.64 (#peak 270)
&rst
ixpk= 270, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 461, 462,
&end
#
# 28 LYS HN 28 LYS QG 3.82 (#peak 273)
&rst
ixpk= 273, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 458, 459,
&end
#
# 28 LYS HN 29 PHE HN 4.69 (#peak 833)
&rst
ixpk= 833, nxpk= 0, iat= 451, 473, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 28 LYS HN 29 PHE HD 6.71 (#peak 262)
&rst
ixpk= 262, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr2= 481, 489,
&end
#
# 28 LYS HA 29 PHE HN 3.22 (#peak 817)
&rst
ixpk= 817, nxpk= 0, iat= 453, 473, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 28 LYS HA 47 GLY HA3 4.40 (#peak 346)
&rst
ixpk= 346, nxpk= 0, iat= 453, 751, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 28 LYS HA 48 PHE HN 4.20 (#peak 342)
&rst
ixpk= 342, nxpk= 0, iat= 453, 755, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 28 LYS HA 48 PHE HA 4.64 (#peak 517)
&rst
ixpk= 517, nxpk= 0, iat= 453, 757, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 28 LYS HB2 29 PHE HN 4.25 (#peak 1988)
&rst
ixpk= 1988, nxpk= 0, iat= 455, 473, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 28 LYS HB2 48 PHE HN 4.83 (#peak 313)
&rst
ixpk= 313, nxpk= 0, iat= 455, 755, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 28 LYS HB3 29 PHE HN 4.25 (#peak 834)
&rst
ixpk= 834, nxpk= 0, iat= 456, 473, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 28 LYS HB3 48 PHE HN 4.83 (#peak 336)
&rst
ixpk= 336, nxpk= 0, iat= 456, 755, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 28 LYS HE2 51 LEU HB2 4.31 (#peak 2222)
&rst
ixpk= 2222, nxpk= 0, iat= 464, 805, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 28 LYS HE3 51 LEU HB2 4.31 (#peak 2222)
&rst
ixpk= 2222, nxpk= 0, iat= 465, 805, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 28 LYS HG2 29 PHE HN 5.50 (#peak 835)
&rst
ixpk= 835, nxpk= 0, iat= 458, 473, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LYS HG2 48 PHE HA 4.98 (#peak 2235)
&rst
ixpk= 2235, nxpk= 0, iat= 458, 757, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 28 LYS HG2 51 LEU HB2 4.79 (#peak 2242)
&rst
ixpk= 2242, nxpk= 0, iat= 458, 805, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 28 LYS HG3 29 PHE HN 5.50 (#peak 835)
&rst
ixpk= 835, nxpk= 0, iat= 459, 473, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LYS HG3 48 PHE HA 4.98 (#peak 2235)
&rst
ixpk= 2235, nxpk= 0, iat= 459, 757, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 28 LYS HG3 51 LEU HB2 4.79 (#peak 2242)
&rst
ixpk= 2242, nxpk= 0, iat= 459, 805, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 28 LYS QB 29 PHE HN 3.71 (#peak 834)
&rst
ixpk= 834, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 455, 456,
&end
#
# 28 LYS QB 48 PHE HN 3.96 (#peak 336)
&rst
ixpk= 336, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 455, 456,
&end
#
# 28 LYS QB 48 PHE HA 4.34 (#peak 521)
&rst
ixpk= 521, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 455, 456,
&end
#
# 28 LYS QB 51 LEU HA 5.01 (#peak 572)
&rst
ixpk= 572, nxpk= 0, iat= -1, 803, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 455, 456,
&end
#
# 28 LYS QB 51 LEU QQD 4.13 (#peak 2490)
&rst
ixpk= 2490, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1= 455, 456,
&end
#
# 28 LYS QD 131 VAL HN 4.74 (#peak 204)
&rst
ixpk= 204, nxpk= 0, iat= -1,2055, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 461, 462,
&end
#
# 28 LYS QD 131 VAL QQG 4.04 (#peak 1942)
&rst
ixpk= 1942, nxpk= 0, iat= -1,2058, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 461, 462,
&end
#
# 28 LYS QD 51 LEU HB2 3.60 (#peak 1220)
&rst
ixpk= 1220, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 461, 462,
&end
#
# 28 LYS QD 51 LEU QQD 3.20 (#peak 2506)
&rst
ixpk= 2506, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 461, 462,
&end
#
# 28 LYS QE 51 LEU HB2 3.68 (#peak 2222)
&rst
ixpk= 2222, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 464, 465,
&end
#
# 28 LYS QE 51 LEU QQD 4.42 (#peak 2261)
&rst
ixpk= 2261, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 464, 465,
&end
#
# 28 LYS QG 29 PHE HN 4.77 (#peak 835)
&rst
ixpk= 835, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 458, 459,
&end
#
# 28 LYS QG 47 GLY HA2 5.50 (#peak 2236 )
&rst
ixpk= 2236, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 458, 459,
&end
#
# 28 LYS QG 51 LEU HB2 4.07 (#peak 2242)
&rst
ixpk= 2242, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 458, 459,
&end
#
# 29 PHE HN 126 ILE QG2 6.00 (#peak 837 )
&rst
ixpk= 837, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1974,1975,1976,
&end
#
# 29 PHE HN 29 PHE HD 5.65 (#peak 825)
&rst
ixpk= 825, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 481, 489,
&end
#
# 29 PHE HN 30 ILE HN 4.48 (#peak 1640)
&rst
ixpk= 1640, nxpk= 0, iat= 473, 493, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 29 PHE HN 45 ASN QB 4.55 (#peak 838)
&rst
ixpk= 838, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 726, 727,
&end
#
# 29 PHE HN 47 GLY HN 4.97 (#peak 830)
&rst
ixpk= 830, nxpk= 0, iat= 473, 748, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 29 PHE HN 47 GLY HA3 4.29 (#peak 818)
&rst
ixpk= 818, nxpk= 0, iat= 473, 751, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 29 PHE HN 48 PHE HN 3.95 (#peak 346)
&rst
ixpk= 346, nxpk= 0, iat= 473, 755, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 29 PHE HN 48 PHE QB 3.72 (#peak 820)
&rst
ixpk= 820, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 759, 760,
&end
#
# 29 PHE HN 48 PHE HD 6.34 (#peak 824)
&rst
ixpk= 824, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2= 763, 771,
&end
#
# 29 PHE HN 49 CYS HN 5.28 (#peak 864)
&rst
ixpk= 864, nxpk= 0, iat= 473, 775, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 29 PHE HN 51 LEU HB2 6.00 (#peak 836)
&rst
ixpk= 836, nxpk= 0, iat= 473, 805, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 PHE HA 126 ILE QG2 4.95 (#peak 3005)
&rst
ixpk= 3005, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1974,1975,1976,
&end
#
# 29 PHE HA 128 ASN HN 5.38 (#peak 677)
&rst
ixpk= 677, nxpk= 0, iat= 475,2006, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 29 PHE HA 128 ASN HA 4.11 (#peak 2691)
&rst
ixpk= 2691, nxpk= 0, iat= 475,2008, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 29 PHE HA 129 PHE HN 4.06 (#peak 538)
&rst
ixpk= 538, nxpk= 0, iat= 475,2020, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 29 PHE HA 129 PHE HD 6.73 (#peak 350)
&rst
ixpk= 350, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr2=2028,2036,
&end
#
# 29 PHE HA 29 PHE HD 6.86 (#peak 351)
&rst
ixpk= 351, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 481, 489,
&end
#
# 29 PHE HA 30 ILE HN 3.34 (#peak 1464)
&rst
ixpk= 1464, nxpk= 0, iat= 475, 493, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 29 PHE HB2 126 ILE QG2 4.27 (#peak 1815)
&rst
ixpk= 1815, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1974,1975,1976,
&end
#
# 29 PHE HB2 128 ASN HA 4.43 (#peak 2692)
&rst
ixpk= 2692, nxpk= 0, iat= 477,2008, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 29 PHE HB2 30 ILE HN 4.07 (#peak 1466)
&rst
ixpk= 1466, nxpk= 0, iat= 477, 493, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 29 PHE HB3 126 ILE QG2 4.27 (#peak 1806)
&rst
ixpk= 1806, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1974,1975,1976,
&end
#
# 29 PHE HB3 128 ASN HA 4.43 (#peak 2695)
&rst
ixpk= 2695, nxpk= 0, iat= 478,2008, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 29 PHE HB3 30 ILE HN 4.07 (#peak 1467)
&rst
ixpk= 1467, nxpk= 0, iat= 478, 493, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 29 PHE QB 126 ILE QG2 3.67 (#peak 1806)
&rst
ixpk= 1806, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 477, 478,
igr2=1974,1975,1976,
&end
#
# 29 PHE QB 128 ASN HA 3.85 (#peak 2695)
&rst
ixpk= 2695, nxpk= 0, iat= -1,2008, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 477, 478,
&end
#
# 29 PHE QB 129 PHE HN 4.34 (#peak 540)
&rst
ixpk= 540, nxpk= 0, iat= -1,2020, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 477, 478,
&end
#
# 29 PHE QB 30 ILE HN 3.49 (#peak 1467)
&rst
ixpk= 1467, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 477, 478,
&end
#
# 29 PHE HD 126 ILE QG2 5.54 (#peak 1822)
&rst
ixpk= 1822, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 481, 489,
igr2=1974,1975,1976,
&end
#
# 29 PHE HD 30 ILE HN 6.10 (#peak 1463)
&rst
ixpk= 1463, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 481, 489,
&end
#
# 29 PHE HD 31 ILE HN 7.48 (#peak 881)
&rst
ixpk= 881, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1= 481, 489,
&end
#
# 29 PHE HD 31 ILE HG13 7.00 (#peak 2305)
&rst
ixpk= 2305, nxpk= 0, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 481, 489,
&end
#
# 29 PHE HD 31 ILE QD1 5.55 (#peak 2318)
&rst
ixpk= 2318, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr1= 481, 489,
igr2= 525, 526, 527,
&end
#
# 29 PHE HD 31 ILE QG2 6.96 (#peak 2287)
&rst
ixpk= 2287, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.38, r4= 9.88,
igr1= 481, 489,
igr2= 518, 519, 520,
&end
#
# 30 ILE HN 126 ILE QG2 4.30 (#peak 1824)
&rst
ixpk= 1824, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1974,1975,1976,
&end
#
# 30 ILE HN 127 LEU HN 4.51 (#peak 128)
&rst
ixpk= 128, nxpk= 0, iat= 493,1987, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 30 ILE HN 127 LEU QD2 6.00 (#peak 1470 )
&rst
ixpk= 1470, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2000,2001,2002,
&end
#
# 30 ILE HN 128 ASN HA 4.52 (#peak 2698)
&rst
ixpk= 2698, nxpk= 0, iat= 493,2008, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 30 ILE HN 129 PHE HN 4.83 (#peak 1460)
&rst
ixpk= 1460, nxpk= 0, iat= 493,2020, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 30 ILE HN 129 PHE HD 6.39 (#peak 1461)
&rst
ixpk= 1461, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2=2028,2036,
&end
#
# 30 ILE HN 30 ILE QD1 3.84 (#peak 1733)
&rst
ixpk= 1733, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 506, 507, 508,
&end
#
# 30 ILE HN 30 ILE QG2 4.25 (#peak 1474)
&rst
ixpk= 1474, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 499, 500, 501,
&end
#
# 30 ILE HN 31 ILE HN 4.72 (#peak 879)
&rst
ixpk= 879, nxpk= 0, iat= 493, 512, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 30 ILE HN 31 ILE QD1 4.68 (#peak 1739)
&rst
ixpk= 1739, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 525, 526, 527,
&end
#
# 30 ILE HA 30 ILE QD1 4.84 (#peak 2286)
&rst
ixpk= 2286, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 506, 507, 508,
&end
#
# 30 ILE HA 30 ILE QG2 3.55 (#peak 2270)
&rst
ixpk= 2270, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 499, 500, 501,
&end
#
# 30 ILE HA 31 ILE QG2 5.50 (#peak 2293)
&rst
ixpk= 2293, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 518, 519, 520,
&end
#
# 30 ILE HB 30 ILE QD1 4.23 (#peak 2266)
&rst
ixpk= 2266, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 506, 507, 508,
&end
#
# 30 ILE HB 31 ILE HN 3.41 (#peak 885)
&rst
ixpk= 885, nxpk= 0, iat= 497, 512, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 30 ILE HB 31 ILE HG12 4.71 (#peak 2268)
&rst
ixpk= 2268, nxpk= 0, iat= 497, 522, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 30 ILE HB 32 ALA HN 5.35 (#peak 4)
&rst
ixpk= 4, nxpk= 0, iat= 497, 531, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 30 ILE HB 41 VAL QG1 4.30 (#peak 2393)
&rst
ixpk= 2393, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 661, 662, 663,
&end
#
# 30 ILE HB 59 VAL QQG 5.50 (#peak 2267 )
&rst
ixpk= 2267, nxpk= 0, iat= 497, 922, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 30 ILE QD1 114 PRO HA 5.50 (#peak 1542 )
&rst
ixpk= 1542, nxpk= 0, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 506, 507, 508,
&end
#
# 30 ILE QD1 126 ILE HB 5.07 (#peak 1803)
&rst
ixpk= 1803, nxpk= 0, iat= -1,1972, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 506, 507, 508,
&end
#
# 30 ILE QD1 126 ILE QG2 3.42 (#peak 1814)
&rst
ixpk= 1814, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 506, 507, 508,
igr2=1974,1975,1976,
&end
#
# 30 ILE QD1 127 LEU HN 4.10 (#peak 118)
&rst
ixpk= 118, nxpk= 0, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 506, 507, 508,
&end
#
# 30 ILE QD1 127 LEU HA 4.57 (#peak 1736)
&rst
ixpk= 1736, nxpk= 0, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 506, 507, 508,
&end
#
# 30 ILE QD1 127 LEU HG 4.41 (#peak 1741)
&rst
ixpk= 1741, nxpk= 0, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 506, 507, 508,
&end
#
# 30 ILE QD1 128 ASN HN 4.91 (#peak 685)
&rst
ixpk= 685, nxpk= 0, iat= -1,2006, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 506, 507, 508,
&end
#
# 30 ILE QD1 129 PHE HD 6.32 (#peak 1730)
&rst
ixpk= 1730, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02,
igr1= 506, 507, 508,
igr2=2028,2036,
&end
#
# 30 ILE QD1 31 ILE HN 4.33 (#peak 891)
&rst
ixpk= 891, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 506, 507, 508,
&end
#
# 30 ILE QD1 32 ALA HN 4.53 (#peak 11)
&rst
ixpk= 11, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 506, 507, 508,
&end
#
# 30 ILE QD1 32 ALA QB 3.58 (#peak 388)
&rst
ixpk= 388, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 506, 507, 508,
igr2= 535, 536, 537,
&end
#
# 30 ILE QD1 41 VAL QG1 4.17 (#peak 2395)
&rst
ixpk= 2395, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 506, 507, 508,
igr2= 661, 662, 663,
&end
#
# 30 ILE QD1 41 VAL QG2 4.40 (#peak 2395)
&rst
ixpk= 2395, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 506, 507, 508,
igr2= 665, 666, 667,
&end
#
# 30 ILE QD1 64 CYS HA 4.24 (#peak 1724)
&rst
ixpk= 1724, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 506, 507, 508,
&end
#
# 30 ILE QD1 64 CYS HB2 4.81 (#peak 1737)
&rst
ixpk= 1737, nxpk= 0, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 506, 507, 508,
&end
#
# 30 ILE QD1 64 CYS HB3 4.81 (#peak 1738)
&rst
ixpk= 1738, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 506, 507, 508,
&end
#
# 30 ILE QG2 30 ILE QD1 3.28 (#peak 2285)
&rst
ixpk= 2285, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 499, 500, 501,
igr2= 506, 507, 508,
&end
#
# 30 ILE QG2 31 ILE HN 3.77 (#peak 892)
&rst
ixpk= 892, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 499, 500, 501,
&end
#
# 30 ILE QG2 31 ILE HG12 4.62 (#peak 2282)
&rst
ixpk= 2282, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 499, 500, 501,
&end
#
# 30 ILE QG2 32 ALA QB 5.50 (#peak 2283 )
&rst
ixpk= 2283, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 499, 500, 501,
igr2= 535, 536, 537,
&end
#
# 30 ILE QG2 41 VAL QG1 4.42 (#peak 2396)
&rst
ixpk= 2396, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1= 499, 500, 501,
igr2= 661, 662, 663,
&end
#
# 30 ILE QG2 41 VAL QG2 5.06 (#peak 2396)
&rst
ixpk= 2396, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 499, 500, 501,
igr2= 665, 666, 667,
&end
#
# 30 ILE QG2 43 TYR HD 7.50 (#peak 2273)
&rst
ixpk= 2273, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.11, r4=10.61,
igr1= 499, 500, 501,
igr2= 698, 707,
&end
#
# 30 ILE QG2 44 CYS HN 6.00 (#peak 1605 )
&rst
ixpk= 1605, nxpk= 0, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 499, 500, 501,
&end
#
# 30 ILE QG2 44 CYS HA 3.70 (#peak 2271)
&rst
ixpk= 2271, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 499, 500, 501,
&end
#
# 30 ILE QG2 44 CYS HB2 4.21 (#peak 2460)
&rst
ixpk= 2460, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 499, 500, 501,
&end
#
# 30 ILE QG2 44 CYS HB3 4.21 (#peak 2459)
&rst
ixpk= 2459, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 499, 500, 501,
&end
#
# 30 ILE QG2 45 ASN HN 3.83 (#peak 500)
&rst
ixpk= 500, nxpk= 0, iat= -1, 722, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 499, 500, 501,
&end
#
# 30 ILE QG2 48 PHE QB 4.15 (#peak 2278)
&rst
ixpk= 2278, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 499, 500, 501,
igr2= 759, 760,
&end
#
# 30 ILE QG2 48 PHE HD 6.05 (#peak 2272)
&rst
ixpk= 2272, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
igr1= 499, 500, 501,
igr2= 763, 771,
&end
#
# 30 ILE QG2 59 VAL QQG 3.27 (#peak 2284)
&rst
ixpk= 2284, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 499, 500, 501,
&end
#
# 31 ILE HN 31 ILE HB 3.90 (#peak 886)
&rst
ixpk= 886, nxpk= 0, iat= 512, 516, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 31 ILE HN 31 ILE HG12 3.86 (#peak 888)
&rst
ixpk= 888, nxpk= 0, iat= 512, 522, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 31 ILE HN 31 ILE HG13 4.78 (#peak 2306)
&rst
ixpk= 2306, nxpk= 0, iat= 512, 523, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 31 ILE HN 31 ILE QD1 3.81 (#peak 890)
&rst
ixpk= 890, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 525, 526, 527,
&end
#
# 31 ILE HN 31 ILE QG2 4.01 (#peak 889)
&rst
ixpk= 889, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 518, 519, 520,
&end
#
# 31 ILE HN 32 ALA HN 4.72 (#peak 877)
&rst
ixpk= 877, nxpk= 0, iat= 512, 531, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 31 ILE HN 42 ILE HN 5.49 (#peak 878)
&rst
ixpk= 878, nxpk= 0, iat= 512, 671, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 31 ILE HN 43 TYR HN 3.81 (#peak 880)
&rst
ixpk= 880, nxpk= 0, iat= 512, 690, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 31 ILE HN 43 TYR HB3 4.71 (#peak 884)
&rst
ixpk= 884, nxpk= 0, iat= 512, 695, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 31 ILE HN 43 TYR HD 7.50 (#peak 881)
&rst
ixpk= 881, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2= 698, 707,
&end
#
# 31 ILE HA 126 ILE HA 4.33 (#peak 358)
&rst
ixpk= 358, nxpk= 0, iat= 514,1970, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 31 ILE HA 126 ILE HB 5.48 (#peak 1798)
&rst
ixpk= 1798, nxpk= 0, iat= 514,1972, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 31 ILE HA 126 ILE QD1 4.53 (#peak 1833)
&rst
ixpk= 1833, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1981,1982,1983,
&end
#
# 31 ILE HA 126 ILE QG2 4.07 (#peak 1817)
&rst
ixpk= 1817, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1974,1975,1976,
&end
#
# 31 ILE HA 127 LEU HN 5.20 (#peak 125)
&rst
ixpk= 125, nxpk= 0, iat= 514,1987, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 31 ILE HA 31 ILE QD1 4.04 (#peak 357)
&rst
ixpk= 357, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 525, 526, 527,
&end
#
# 31 ILE HA 31 ILE QG2 3.29 (#peak 2291)
&rst
ixpk= 2291, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 518, 519, 520,
&end
#
# 31 ILE HA 32 ALA HN 3.38 (#peak 12)
&rst
ixpk= 12, nxpk= 0, iat= 514, 531, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 31 ILE HA 32 ALA QB 4.02 (#peak 376)
&rst
ixpk= 376, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 535, 536, 537,
&end
#
# 31 ILE HB 31 ILE QD1 3.54 (#peak 2312)
&rst
ixpk= 2312, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 525, 526, 527,
&end
#
# 31 ILE HB 32 ALA HN 4.39 (#peak 5)
&rst
ixpk= 5, nxpk= 0, iat= 516, 531, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 31 ILE HB 42 ILE QD1 4.56 (#peak 2442)
&rst
ixpk= 2442, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 684, 685, 686,
&end
#
# 31 ILE HB 43 TYR HN 4.40 (#peak 627)
&rst
ixpk= 627, nxpk= 0, iat= 516, 690, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 31 ILE HB 43 TYR HB2 4.46 (#peak 365)
&rst
ixpk= 365, nxpk= 0, iat= 516, 694, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 31 ILE HB 43 TYR HD 6.41 (#peak 363)
&rst
ixpk= 363, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2= 698, 707,
&end
#
# 31 ILE HG12 126 ILE QD1 5.05 (#peak 1839)
&rst
ixpk= 1839, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1981,1982,1983,
&end
#
# 31 ILE HG12 126 ILE QG2 4.24 (#peak 1811)
&rst
ixpk= 1811, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1974,1975,1976,
&end
#
# 31 ILE HG13 43 TYR HD 7.26 (#peak 2305)
&rst
ixpk= 2305, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,
igr2= 698, 707,
&end
#
# 31 ILE QD1 126 ILE HB 4.27 (#peak 1805)
&rst
ixpk= 1805, nxpk= 0, iat= -1,1972, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 525, 526, 527,
&end
#
# 31 ILE QD1 32 ALA HN 3.97 (#peak 10)
&rst
ixpk= 10, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 525, 526, 527,
&end
#
# 31 ILE QD1 32 ALA HA 6.00 (#peak 2330 )
&rst
ixpk= 2330, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 525, 526, 527,
&end
#
# 31 ILE QD1 43 TYR HB2 5.19 (#peak 2315)
&rst
ixpk= 2315, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 525, 526, 527,
&end
#
# 31 ILE QD1 43 TYR HB3 4.27 (#peak 2316)
&rst
ixpk= 2316, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 525, 526, 527,
&end
#
# 31 ILE QG2 124 MET HA 5.50 (#peak 1751)
&rst
ixpk= 1751, nxpk= 0, iat= -1,1933, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 518, 519, 520,
&end
#
# 31 ILE QG2 124 MET QB 4.32 (#peak 1756)
&rst
ixpk= 1756, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 518, 519, 520,
igr2=1935,1936,
&end
#
# 31 ILE QG2 125 PHE HN 4.87 (#peak 2288)
&rst
ixpk= 2288, nxpk= 0, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 518, 519, 520,
&end
#
# 31 ILE QG2 126 ILE HN 6.00 (#peak 1733 )
&rst
ixpk= 1733, nxpk= 0, iat= -1,1968, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 518, 519, 520,
&end
#
# 31 ILE QG2 126 ILE HA 4.28 (#peak 2294)
&rst
ixpk= 2294, nxpk= 0, iat= -1,1970, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 518, 519, 520,
&end
#
# 31 ILE QG2 126 ILE QD1 3.93 (#peak 2301)
&rst
ixpk= 2301, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 518, 519, 520,
igr2=1981,1982,1983,
&end
#
# 31 ILE QG2 127 LEU HN 6.00 (#peak 119 )
&rst
ixpk= 119, nxpk= 0, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 518, 519, 520,
&end
#
# 31 ILE QG2 31 ILE HG12 3.75 (#peak 2300)
&rst
ixpk= 2300, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 518, 519, 520,
&end
#
# 31 ILE QG2 31 ILE HG13 3.70 (#peak 2298)
&rst
ixpk= 2298, nxpk= 0, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 518, 519, 520,
&end
#
# 31 ILE QG2 32 ALA HN 3.22 (#peak 9)
&rst
ixpk= 9, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 518, 519, 520,
&end
#
# 31 ILE QG2 32 ALA HA 4.16 (#peak 2292)
&rst
ixpk= 2292, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 518, 519, 520,
&end
#
# 31 ILE QG2 42 ILE HB 4.87 (#peak 2297)
&rst
ixpk= 2297, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 518, 519, 520,
&end
#
# 31 ILE QG2 42 ILE HG12 3.94 (#peak 2300)
&rst
ixpk= 2300, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 518, 519, 520,
&end
#
# 31 ILE QG2 43 TYR HA 5.35 (#peak 2295)
&rst
ixpk= 2295, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 518, 519, 520,
&end
#
# 31 ILE QG2 43 TYR HB2 4.03 (#peak 2296)
&rst
ixpk= 2296, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 518, 519, 520,
&end
#
# 31 ILE QG2 43 TYR HD 7.22 (#peak 2287)
&rst
ixpk= 2287, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.73, r4=10.23,
igr1= 518, 519, 520,
igr2= 698, 707,
&end
#
# 32 ALA HN 124 MET QB 5.04 (#peak 3)
&rst
ixpk= 3, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1935,1936,
&end
#
# 32 ALA HN 125 PHE HN 3.84 (#peak 13)
&rst
ixpk= 13, nxpk= 0, iat= 531,1948, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 32 ALA HN 125 PHE HB2 5.00 (#peak 2)
&rst
ixpk= 2, nxpk= 0, iat= 531,1952, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 ALA HN 125 PHE HB3 4.97 (#peak 14)
&rst
ixpk= 14, nxpk= 0, iat= 531,1953, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 32 ALA HN 126 ILE QD1 4.57 (#peak 15)
&rst
ixpk= 15, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1981,1982,1983,
&end
#
# 32 ALA HN 127 LEU HN 5.34 (#peak 131)
&rst
ixpk= 131, nxpk= 0, iat= 531,1987, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 32 ALA HN 32 ALA QB 3.37 (#peak 6)
&rst
ixpk= 6, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 535, 536, 537,
&end
#
# 32 ALA HN 33 ASN HN 4.75 (#peak 1010)
&rst
ixpk= 1010, nxpk= 0, iat= 531, 541, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 32 ALA HN 42 ILE HG12 4.23 (#peak 7)
&rst
ixpk= 7, nxpk= 0, iat= 531, 681, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 32 ALA HN 42 ILE QG2 5.42 (#peak 8)
&rst
ixpk= 8, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 677, 678, 679,
&end
#
# 32 ALA HA 33 ASN HN 3.27 (#peak 1007)
&rst
ixpk= 1007, nxpk= 0, iat= 533, 541, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 32 ALA HA 41 VAL HA 3.88 (#peak 2325)
&rst
ixpk= 2325, nxpk= 0, iat= 533, 657, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 32 ALA HA 41 VAL QG1 4.71 (#peak 2403)
&rst
ixpk= 2403, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 661, 662, 663,
&end
#
# 32 ALA HA 41 VAL QG2 5.17 (#peak 2403)
&rst
ixpk= 2403, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 665, 666, 667,
&end
#
# 32 ALA HA 42 ILE HN 3.96 (#peak 2333)
&rst
ixpk= 2333, nxpk= 0, iat= 533, 671, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 32 ALA HA 42 ILE HG12 4.65 (#peak 2327)
&rst
ixpk= 2327, nxpk= 0, iat= 533, 681, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 32 ALA HA 42 ILE HG13 4.16 (#peak 2328)
&rst
ixpk= 2328, nxpk= 0, iat= 533, 682, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 32 ALA HA 42 ILE QD1 4.30 (#peak 2328)
&rst
ixpk= 2328, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 684, 685, 686,
&end
#
# 32 ALA HA 42 ILE QG2 3.89 (#peak 2329)
&rst
ixpk= 2329, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 677, 678, 679,
&end
#
# 32 ALA HA 43 TYR HN 4.55 (#peak 2331)
&rst
ixpk= 2331, nxpk= 0, iat= 533, 690, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 32 ALA QB 125 PHE HN 3.94 (#peak 1295)
&rst
ixpk= 1295, nxpk= 0, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 535, 536, 537,
&end
#
# 32 ALA QB 125 PHE HB2 3.93 (#peak 385)
&rst
ixpk= 385, nxpk= 0, iat= -1,1952, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 535, 536, 537,
&end
#
# 32 ALA QB 125 PHE HB3 3.95 (#peak 384)
&rst
ixpk= 384, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 535, 536, 537,
&end
#
# 32 ALA QB 125 PHE HD 5.89 (#peak 374)
&rst
ixpk= 374, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 535, 536, 537,
igr2=1956,1964,
&end
#
# 32 ALA QB 126 ILE HA 5.00 (#peak 377)
&rst
ixpk= 377, nxpk= 0, iat= -1,1970, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 535, 536, 537,
&end
#
# 32 ALA QB 127 LEU QD1 5.00 (#peak 387 )
&rst
ixpk= 387, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 535, 536, 537,
igr2=1996,1997,1998,
&end
#
# 32 ALA QB 33 ASN HN 3.33 (#peak 371)
&rst
ixpk= 371, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 535, 536, 537,
&end
#
# 32 ALA QB 33 ASN HA 4.68 (#peak 377)
&rst
ixpk= 377, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 535, 536, 537,
&end
#
# 32 ALA QB 35 ARG HN 6.00 (#peak 372 )
&rst
ixpk= 372, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 535, 536, 537,
&end
#
# 32 ALA QB 39 CYS HA 4.46 (#peak 378)
&rst
ixpk= 378, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 535, 536, 537,
&end
#
# 32 ALA QB 39 CYS QB 3.73 (#peak 382)
&rst
ixpk= 382, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 535, 536, 537,
igr2= 638, 639,
&end
#
# 32 ALA QB 40 ALA HA 4.55 (#peak 380)
&rst
ixpk= 380, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 535, 536, 537,
&end
#
# 32 ALA QB 41 VAL HN 4.38 (#peak 790)
&rst
ixpk= 790, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 535, 536, 537,
&end
#
# 32 ALA QB 41 VAL HA 3.73 (#peak 381)
&rst
ixpk= 381, nxpk= 0, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 535, 536, 537,
&end
#
# 32 ALA QB 41 VAL QG2 3.25 (#peak 386)
&rst
ixpk= 386, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 535, 536, 537,
igr2= 665, 666, 667,
&end
#
# 32 ALA QB 42 ILE HN 4.06 (#peak 370)
&rst
ixpk= 370, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 535, 536, 537,
&end
#
# 32 ALA QB 43 TYR HN 5.00 (#peak 628)
&rst
ixpk= 628, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 535, 536, 537,
&end
#
# 32 ALA QB 64 CYS HA 5.11 (#peak 379)
&rst
ixpk= 379, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 535, 536, 537,
&end
#
# 32 ALA QB 64 CYS QB 4.05 (#peak 383)
&rst
ixpk= 383, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 535, 536, 537,
igr2=1011,1012,
&end
#
# 32 ALA QB 86 LEU QD1 5.50 (#peak 2335)
&rst
ixpk= 2335, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 535, 536, 537,
igr2=1347,1348,1349,
&end
#
# 32 ALA QB 86 LEU QD1 5.50 (#peak 984 )
&rst
ixpk= 984, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 535, 536, 537,
igr2=1347,1348,1349,
&end
#
# 33 ASN HN 33 ASN HB2 3.69 (#peak 1004)
&rst
ixpk= 1004, nxpk= 0, iat= 541, 545, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 33 ASN HN 33 ASN HB3 3.69 (#peak 1003)
&rst
ixpk= 1003, nxpk= 0, iat= 541, 546, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 33 ASN HN 33 ASN QB 3.24 (#peak 1003)
&rst
ixpk= 1003, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 545, 546,
&end
#
# 33 ASN HN 33 ASN QD2 4.33 (#peak 1008)
&rst
ixpk= 1008, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 550, 551,
&end
#
# 33 ASN HN 36 VAL HB 6.00 (#peak 1005)
&rst
ixpk= 1005, nxpk= 0, iat= 541, 593, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 ASN HN 36 VAL QQG 4.74 (#peak 2374)
&rst
ixpk= 2374, nxpk= 0, iat= 541, 592, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, &end
#
# 33 ASN HN 41 VAL HA 4.75 (#peak 1006)
&rst
ixpk= 1006, nxpk= 0, iat= 541, 657, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 33 ASN HN 42 ILE HN 4.32 (#peak 646)
&rst
ixpk= 646, nxpk= 0, iat= 541, 671, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 33 ASN HN 42 ILE HB 5.50 (#peak 1005)
&rst
ixpk= 1005, nxpk= 0, iat= 541, 675, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ASN HN 42 ILE HG12 4.00 (#peak 999)
&rst
ixpk= 999, nxpk= 0, iat= 541, 681, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 33 ASN HN 42 ILE QD1 3.58 (#peak 1001)
&rst
ixpk= 1001, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 684, 685, 686,
&end
#
# 33 ASN HN 42 ILE QG2 3.41 (#peak 1000)
&rst
ixpk= 1000, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 677, 678, 679,
&end
#
# 33 ASN HA 124 MET QE 4.09 (#peak 2968)
&rst
ixpk= 2968, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1942,1943,1944,
&end
#
# 33 ASN HA 124 MET QG 5.21 (#peak 1771)
&rst
ixpk= 1771, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1938,1939,
&end
#
# 33 ASN HA 36 VAL QQG 4.22 (#peak 2379)
&rst
ixpk= 2379, nxpk= 0, iat= 543, 592, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end
#
# 33 ASN HA 42 ILE QD1 4.20 (#peak 2443)
&rst
ixpk= 2443, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 684, 685, 686,
&end
#
# 33 ASN HA 42 ILE QG2 4.24 (#peak 2429)
&rst
ixpk= 2429, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 677, 678, 679,
&end
#
# 33 ASN HB2 34 ALA HN 4.45 (#peak 479)
&rst
ixpk= 479, nxpk= 0, iat= 545, 555, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 33 ASN HB2 36 VAL QG1 5.34 (#peak 2362)
&rst
ixpk= 2362, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 595, 596, 597,
&end
#
# 33 ASN HB2 36 VAL QG2 5.34 (#peak 2383)
&rst
ixpk= 2383, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 599, 600, 601,
&end
#
# 33 ASN HB2 40 ALA QB 6.00 (#peak 448 )
&rst
ixpk= 448, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 649, 650, 651,
&end
#
# 33 ASN HB2 42 ILE QD1 4.46 (#peak 2441)
&rst
ixpk= 2441, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 684, 685, 686,
&end
#
# 33 ASN HB2 42 ILE QG2 4.19 (#peak 2426)
&rst
ixpk= 2426, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 677, 678, 679,
&end
#
# 33 ASN HB3 34 ALA HN 4.45 (#peak 480)
&rst
ixpk= 480, nxpk= 0, iat= 546, 555, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 33 ASN HB3 36 VAL QG1 5.34 (#peak 2345)
&rst
ixpk= 2345, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 595, 596, 597,
&end
#
# 33 ASN HB3 36 VAL QG2 5.34 (#peak 2342)
&rst
ixpk= 2342, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 599, 600, 601,
&end
#
# 33 ASN HB3 42 ILE QD1 4.46 (#peak 2440)
&rst
ixpk= 2440, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 684, 685, 686,
&end
#
# 33 ASN HB3 42 ILE QG2 4.19 (#peak 2425)
&rst
ixpk= 2425, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 677, 678, 679,
&end
#
# 33 ASN HD21 36 VAL QG1 4.10 (#peak 2367)
&rst
ixpk= 2367, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 595, 596, 597,
&end
#
# 33 ASN HD21 36 VAL QG2 4.10 (#peak 1407)
&rst
ixpk= 1407, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 599, 600, 601,
&end
#
# 33 ASN HD21 42 ILE QG2 4.17 (#peak 1407)
&rst
ixpk= 1407, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 677, 678, 679,
&end
#
# 33 ASN HD22 36 VAL QG1 4.10 (#peak 1416)
&rst
ixpk= 1416, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 595, 596, 597,
&end
#
# 33 ASN HD22 36 VAL QG2 4.10 (#peak 1413)
&rst
ixpk= 1413, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 599, 600, 601,
&end
#
# 33 ASN HD22 42 ILE QG2 4.17 (#peak 1413)
&rst
ixpk= 1413, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 677, 678, 679,
&end
#
# 33 ASN QB 33 ASN QD2 3.19 (#peak 1414)
&rst
ixpk= 1414, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 545, 546,
igr2= 550, 551,
&end
#
# 33 ASN QB 36 VAL QQG 3.41 (#peak 2383)
&rst
ixpk= 2383, nxpk= 0, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 545, 546,
&end
#
# 33 ASN QB 42 ILE QG2 3.34 (#peak 2425)
&rst
ixpk= 2425, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 545, 546,
igr2= 677, 678, 679,
&end
#
# 33 ASN QD2 36 VAL QQG 3.12 (#peak 1416)
&rst
ixpk= 1416, nxpk= 0, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 550, 551,
&end
#
# 33 ASN QD2 40 ALA QB 4.87 (#peak 454)
&rst
ixpk= 454, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 550, 551,
igr2= 649, 650, 651,
&end
#
# 33 ASN QD2 42 ILE HG12 5.34 (#peak 1581)
&rst
ixpk= 1581, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 550, 551,
&end
#
# 33 ASN QD2 42 ILE QG2 3.49 (#peak 1407)
&rst
ixpk= 1407, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 550, 551,
igr2= 677, 678, 679,
&end
#
# 34 ALA HN 124 MET HN 4.89 (#peak 1657)
&rst
ixpk= 1657, nxpk= 0, iat= 555,1931, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 34 ALA HN 124 MET HA 3.62 (#peak 477)
&rst
ixpk= 477, nxpk= 0, iat= 555,1933, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 34 ALA HN 124 MET HG2 5.50 (#peak 481)
&rst
ixpk= 481, nxpk= 0, iat= 555,1938, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 ALA HN 124 MET HG3 5.50 (#peak 482)
&rst
ixpk= 482, nxpk= 0, iat= 555,1939, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 ALA HN 124 MET QB 5.14 (#peak 483)
&rst
ixpk= 483, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1935,1936,
&end
#
# 34 ALA HN 124 MET QG 4.73 (#peak 482)
&rst
ixpk= 482, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1938,1939,
&end
#
# 34 ALA HN 125 PHE HN 4.04 (#peak 475)
&rst
ixpk= 475, nxpk= 0, iat= 555,1948, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 34 ALA HN 125 PHE HB2 5.42 (#peak 482)
&rst
ixpk= 482, nxpk= 0, iat= 555,1952, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 34 ALA HN 125 PHE HB3 5.50 (#peak 481)
&rst
ixpk= 481, nxpk= 0, iat= 555,1953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 ALA HN 125 PHE HD 6.55 (#peak 1658)
&rst
ixpk= 1658, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr2=1956,1964,
&end
#
# 34 ALA HN 34 ALA QB 3.15 (#peak 484)
&rst
ixpk= 484, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 559, 560, 561,
&end
#
# 34 ALA HN 35 ARG HN 3.70 (#peak 474)
&rst
ixpk= 474, nxpk= 0, iat= 555, 565, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 34 ALA HN 36 VAL HN 4.88 (#peak 476)
&rst
ixpk= 476, nxpk= 0, iat= 555, 589, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 34 ALA HN 36 VAL QG1 5.50 (#peak 485 )
&rst
ixpk= 485, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 595, 596, 597,
&end
#
# 34 ALA HN 36 VAL QQG 5.44 (#peak 486)
&rst
ixpk= 486, nxpk= 0, iat= 555, 592, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 34 ALA HN 42 ILE QD1 5.50 (#peak 486)
&rst
ixpk= 486, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 684, 685, 686,
&end
#
# 34 ALA HA 122 VAL QQG 4.49 (#peak 1679)
&rst
ixpk= 1679, nxpk= 0, iat= 557,1899, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, &end
#
# 34 ALA QB 115 VAL HN 5.35 (#peak 281)
&rst
ixpk= 281, nxpk= 0, iat= -1,1800, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 559, 560, 561,
&end
#
# 34 ALA QB 122 VAL HN 5.04 (#peak 569)
&rst
ixpk= 569, nxpk= 0, iat= -1,1896, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 559, 560, 561,
&end
#
# 34 ALA QB 122 VAL HA 4.78 (#peak 1670)
&rst
ixpk= 1670, nxpk= 0, iat= -1,1898, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 559, 560, 561,
&end
#
# 34 ALA QB 122 VAL HB 4.51 (#peak 2355)
&rst
ixpk= 2355, nxpk= 0, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 559, 560, 561,
&end
#
# 34 ALA QB 122 VAL QQG 3.21 (#peak 1696)
&rst
ixpk= 1696, nxpk= 0, iat= -1,1899, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 559, 560, 561,
&end
#
# 34 ALA QB 123 ILE HA 3.63 (#peak 2354)
&rst
ixpk= 2354, nxpk= 0, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 559, 560, 561,
&end
#
# 34 ALA QB 124 MET HN 4.14 (#peak 752)
&rst
ixpk= 752, nxpk= 0, iat= -1,1931, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 559, 560, 561,
&end
#
# 34 ALA QB 124 MET HA 3.79 (#peak 2352)
&rst
ixpk= 2352, nxpk= 0, iat= -1,1933, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 559, 560, 561,
&end
#
# 34 ALA QB 124 MET QB 5.25 (#peak 2357)
&rst
ixpk= 2357, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 559, 560, 561,
igr2=1935,1936,
&end
#
# 34 ALA QB 125 PHE HN 4.22 (#peak 1296)
&rst
ixpk= 1296, nxpk= 0, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 559, 560, 561,
&end
#
# 34 ALA QB 125 PHE HD 5.75 (#peak 2347)
&rst
ixpk= 2347, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1= 559, 560, 561,
igr2=1956,1964,
&end
#
# 34 ALA QB 126 ILE HN 5.01 (#peak 548)
&rst
ixpk= 548, nxpk= 0, iat= -1,1968, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 559, 560, 561,
&end
#
# 34 ALA QB 35 ARG HN 3.71 (#peak 1243)
&rst
ixpk= 1243, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 559, 560, 561,
&end
#
# 34 ALA QB 35 ARG QG 4.57 (#peak 2357)
&rst
ixpk= 2357, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 559, 560, 561,
igr2= 572, 573,
&end
#
# 35 ARG HN 35 ARG HB2 3.76 (#peak 1239)
&rst
ixpk= 1239, nxpk= 0, iat= 565, 569, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 35 ARG HN 35 ARG HB3 3.76 (#peak 1240)
&rst
ixpk= 1240, nxpk= 0, iat= 565, 570, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 35 ARG HN 35 ARG HD2 5.50 (#peak 2752)
&rst
ixpk= 2752, nxpk= 0, iat= 565, 575, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ARG HN 35 ARG HD3 5.50 (#peak 2752)
&rst
ixpk= 2752, nxpk= 0, iat= 565, 576, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ARG HN 35 ARG HG2 3.93 (#peak 1241)
&rst
ixpk= 1241, nxpk= 0, iat= 565, 572, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 35 ARG HN 35 ARG HG3 3.93 (#peak 1242)
&rst
ixpk= 1242, nxpk= 0, iat= 565, 573, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 35 ARG HN 35 ARG QB 3.17 (#peak 1240)
&rst
ixpk= 1240, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 569, 570,
&end
#
# 35 ARG HN 35 ARG QD 4.70 (#peak 2752)
&rst
ixpk= 2752, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 575, 576,
&end
#
# 35 ARG HN 35 ARG QG 3.43 (#peak 1241)
&rst
ixpk= 1241, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 572, 573,
&end
#
# 35 ARG HN 36 VAL HN 3.69 (#peak 1237)
&rst
ixpk= 1237, nxpk= 0, iat= 565, 589, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 35 ARG HN 36 VAL QG1 5.50 (#peak 1244)
&rst
ixpk= 1244, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 595, 596, 597,
&end
#
# 35 ARG HN 36 VAL QG2 5.50 (#peak 1244)
&rst
ixpk= 1244, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 599, 600, 601,
&end
#
# 35 ARG HN 36 VAL QQG 4.29 (#peak 1244)
&rst
ixpk= 1244, nxpk= 0, iat= 565, 592, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, &end
#
# 35 ARG HA 35 ARG HG2 3.97 (#peak 395)
&rst
ixpk= 395, nxpk= 0, iat= 567, 572, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 35 ARG HA 35 ARG HG3 3.97 (#peak 393)
&rst
ixpk= 393, nxpk= 0, iat= 567, 573, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 35 ARG HA 35 ARG QD 3.57 (#peak 2747)
&rst
ixpk= 2747, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 575, 576,
&end
#
# 35 ARG HA 35 ARG QG 3.42 (#peak 393)
&rst
ixpk= 393, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 572, 573,
&end
#
# 35 ARG QB 35 ARG HE 4.10 (#peak 1685)
&rst
ixpk= 1685, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 569, 570,
&end
#
# 35 ARG QB 35 ARG QD 3.14 (#peak 2742)
&rst
ixpk= 2742, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 569, 570,
igr2= 575, 576,
&end
#
# 35 ARG QD 123 ILE HA 3.82 (#peak 2746)
&rst
ixpk= 2746, nxpk= 0, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 575, 576,
&end
#
# 35 ARG QD 123 ILE QG2 3.87 (#peak 2741)
&rst
ixpk= 2741, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 575, 576,
igr2=1918,1919,1920,
&end
#
# 35 ARG QG 123 ILE HB 4.72 (#peak 1706)
&rst
ixpk= 1706, nxpk= 0, iat= -1,1916, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 572, 573,
&end
#
# 35 ARG QG 35 ARG HE 3.66 (#peak 1686)
&rst
ixpk= 1686, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 572, 573,
&end
#
# 36 VAL HN 36 VAL QG1 3.89 (#peak 2366)
&rst
ixpk= 2366, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 595, 596, 597,
&end
#
# 36 VAL HN 36 VAL QG2 3.89 (#peak 1334)
&rst
ixpk= 1334, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 599, 600, 601,
&end
#
# 36 VAL HN 36 VAL QQG 3.39 (#peak 2366)
&rst
ixpk= 2366, nxpk= 0, iat= 589, 592, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 36 VAL HN 37 GLU HN 4.74 (#peak 529)
&rst
ixpk= 529, nxpk= 0, iat= 589, 605, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 36 VAL HA 37 GLU HA 4.58 (#peak 400)
&rst
ixpk= 400, nxpk= 0, iat= 591, 607, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 36 VAL HB 37 GLU HN 5.00 (#peak 533)
&rst
ixpk= 533, nxpk= 0, iat= 593, 605, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 36 VAL QG1 37 GLU HN 3.95 (#peak 2369)
&rst
ixpk= 2369, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 595, 596, 597,
&end
#
# 36 VAL QG1 39 CYS HN 4.76 (#peak 2370)
&rst
ixpk= 2370, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 595, 596, 597,
&end
#
# 36 VAL QG2 37 GLU HN 3.95 (#peak 535)
&rst
ixpk= 535, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 599, 600, 601,
&end
#
# 36 VAL QG2 39 CYS HN 4.76 (#peak 1140)
&rst
ixpk= 1140, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 599, 600, 601,
&end
#
# 36 VAL QG2 39 CYS HA 5.50 (#peak 1949 )
&rst
ixpk= 1949, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 599, 600, 601,
&end
#
# 36 VAL QQG 37 GLU HA 4.35 (#peak 2382)
&rst
ixpk= 2382, nxpk= 0, iat= 592, 607, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, &end
#
# 36 VAL QQG 38 ASN HN 3.68 (#peak 1307)
&rst
ixpk= 1307, nxpk= 0, iat= 592, 620, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 36 VAL QQG 38 ASN QB 5.12 (#peak 2384)
&rst
ixpk= 2384, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr2= 624, 625,
&end
#
# 36 VAL QQG 39 CYS HN 3.22 (#peak 1140)
&rst
ixpk= 1140, nxpk= 0, iat= 592, 634, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 36 VAL QQG 39 CYS HA 3.54 (#peak 2380)
&rst
ixpk= 2380, nxpk= 0, iat= 592, 636, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 37 GLU HN 37 GLU HB2 4.05 (#peak 534)
&rst
ixpk= 534, nxpk= 0, iat= 605, 609, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 37 GLU HN 37 GLU HB3 4.05 (#peak 534)
&rst
ixpk= 534, nxpk= 0, iat= 605, 610, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 37 GLU HN 37 GLU QB 3.39 (#peak 534)
&rst
ixpk= 534, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 609, 610,
&end
#
# 37 GLU HN 37 GLU QG 4.51 (#peak 532)
&rst
ixpk= 532, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 612, 613,
&end
#
# 37 GLU HN 38 ASN HN 3.62 (#peak 1300)
&rst
ixpk= 1300, nxpk= 0, iat= 605, 620, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 37 GLU HA 37 GLU QG 3.38 (#peak 401)
&rst
ixpk= 401, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 612, 613,
&end
#
# 37 GLU HA 38 ASN HN 3.56 (#peak 397)
&rst
ixpk= 397, nxpk= 0, iat= 607, 620, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 37 GLU HA 38 ASN HA 5.01 (#peak 398)
&rst
ixpk= 398, nxpk= 0, iat= 607, 622, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 37 GLU HA 39 CYS HN 4.36 (#peak 1136)
&rst
ixpk= 1136, nxpk= 0, iat= 607, 634, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 37 GLU QB 38 ASN HN 3.61 (#peak 1306)
&rst
ixpk= 1306, nxpk= 0, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 609, 610,
&end
#
# 37 GLU QB 38 ASN QB 4.76 (#peak 423)
&rst
ixpk= 423, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 609, 610,
igr2= 624, 625,
&end
#
# 37 GLU QB 39 CYS HN 5.11 (#peak 1138)
&rst
ixpk= 1138, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 609, 610,
&end
#
# 37 GLU QG 38 ASN HN 4.36 (#peak 1305)
&rst
ixpk= 1305, nxpk= 0, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 612, 613,
&end
#
# 37 GLU QG 38 ASN HA 4.45 (#peak 410)
&rst
ixpk= 410, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 612, 613,
&end
#
# 38 ASN HN 38 ASN QB 3.62 (#peak 1304)
&rst
ixpk= 1304, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 624, 625,
&end
#
# 38 ASN HN 39 CYS HN 3.35 (#peak 1133)
&rst
ixpk= 1133, nxpk= 0, iat= 620, 634, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 38 ASN QB 38 ASN QD2 3.09 (#peak 1424)
&rst
ixpk= 1424, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 624, 625,
igr2= 629, 630,
&end
#
# 39 CYS HN 39 CYS HB2 4.03 (#peak 1715)
&rst
ixpk= 1715, nxpk= 0, iat= 634, 638, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 39 CYS HN 39 CYS HB3 4.03 (#peak 1716)
&rst
ixpk= 1716, nxpk= 0, iat= 634, 639, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 39 CYS HN 39 CYS QB 3.48 (#peak 1716)
&rst
ixpk= 1716, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 638, 639,
&end
#
# 39 CYS HN 40 ALA QB 5.00 (#peak 1139 )
&rst
ixpk= 1139, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 649, 650, 651,
&end
#
# 39 CYS HB2 86 LEU HG 6.00 (#peak 434 )
&rst
ixpk= 434, nxpk= 0, iat= 638,1345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 CYS HB3 86 LEU HG 6.00 (#peak 433 )
&rst
ixpk= 433, nxpk= 0, iat= 639,1345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 ALA HA 41 VAL HN 3.18 (#peak 779)
&rst
ixpk= 779, nxpk= 0, iat= 647, 655, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 40 ALA HA 41 VAL HB 5.27 (#peak 440)
&rst
ixpk= 440, nxpk= 0, iat= 647, 659, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 40 ALA HA 41 VAL QG2 4.04 (#peak 2400)
&rst
ixpk= 2400, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 665, 666, 667,
&end
#
# 40 ALA HA 61 GLN HA 5.08 (#peak 439)
&rst
ixpk= 439, nxpk= 0, iat= 647, 954, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 40 ALA QB 41 VAL HN 3.13 (#peak 455)
&rst
ixpk= 455, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 649, 650, 651,
&end
#
# 40 ALA QB 41 VAL HB 4.42 (#peak 447)
&rst
ixpk= 447, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 649, 650, 651,
&end
#
# 40 ALA QB 61 GLN HN 4.72 (#peak 1400)
&rst
ixpk= 1400, nxpk= 0, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 649, 650, 651,
&end
#
# 40 ALA QB 61 GLN HA 3.05 (#peak 445)
&rst
ixpk= 445, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 649, 650, 651,
&end
#
# 40 ALA QB 61 GLN QB 3.45 (#peak 446)
&rst
ixpk= 446, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 649, 650, 651,
igr2= 956, 957,
&end
#
# 40 ALA QB 62 ARG HN 4.41 (#peak 772)
&rst
ixpk= 772, nxpk= 0, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 649, 650, 651,
&end
#
# 40 ALA QB 62 ARG HA 3.98 (#peak 450)
&rst
ixpk= 450, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 649, 650, 651,
&end
#
# 40 ALA QB 62 ARG HE 6.00 (#peak 452 )
&rst
ixpk= 452, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 649, 650, 651,
&end
#
# 41 VAL HN 41 VAL HB 3.20 (#peak 784)
&rst
ixpk= 784, nxpk= 0, iat= 655, 659, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 41 VAL HN 41 VAL QG2 3.00 (#peak 788)
&rst
ixpk= 788, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 665, 666, 667,
&end
#
# 41 VAL HN 42 ILE HN 4.88 (#peak 646)
&rst
ixpk= 646, nxpk= 0, iat= 655, 671, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 41 VAL HN 43 TYR HN 5.50 (#peak 616 )
&rst
ixpk= 616, nxpk= 0, iat= 655, 690, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL HN 61 GLN HA 4.06 (#peak 1717)
&rst
ixpk= 1717, nxpk= 0, iat= 655, 954, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 41 VAL HN 62 ARG HN 4.03 (#peak 776)
&rst
ixpk= 776, nxpk= 0, iat= 655, 969, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 41 VAL HN 64 CYS HA 5.50 (#peak 778)
&rst
ixpk= 778, nxpk= 0, iat= 655,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL HA 41 VAL QG1 3.66 (#peak 2401)
&rst
ixpk= 2401, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 661, 662, 663,
&end
#
# 41 VAL HA 41 VAL QG2 3.96 (#peak 2401)
&rst
ixpk= 2401, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 665, 666, 667,
&end
#
# 41 VAL HA 42 ILE HN 3.46 (#peak 649)
&rst
ixpk= 649, nxpk= 0, iat= 657, 671, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 41 VAL HA 42 ILE QG2 4.57 (#peak 2427)
&rst
ixpk= 2427, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 677, 678, 679,
&end
#
# 41 VAL HA 43 TYR HN 3.70 (#peak 623)
&rst
ixpk= 623, nxpk= 0, iat= 657, 690, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 41 VAL HB 59 VAL QQG 3.95 (#peak 465)
&rst
ixpk= 465, nxpk= 0, iat= 659, 922, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 41 VAL HB 60 MET HA 5.16 (#peak 668)
&rst
ixpk= 668, nxpk= 0, iat= 659, 937, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 41 VAL HB 61 GLN HN 3.99 (#peak 1397)
&rst
ixpk= 1397, nxpk= 0, iat= 659, 952, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 41 VAL HB 61 GLN HA 4.28 (#peak 463)
&rst
ixpk= 463, nxpk= 0, iat= 659, 954, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 41 VAL HB 62 ARG HN 3.43 (#peak 769)
&rst
ixpk= 769, nxpk= 0, iat= 659, 969, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 41 VAL QG1 42 ILE HN 4.05 (#peak 2408)
&rst
ixpk= 2408, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 661, 662, 663,
&end
#
# 41 VAL QG1 43 TYR HN 4.51 (#peak 2405)
&rst
ixpk= 2405, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 661, 662, 663,
&end
#
# 41 VAL QG1 61 GLN HN 4.73 (#peak 1401)
&rst
ixpk= 1401, nxpk= 0, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 661, 662, 663,
&end
#
# 41 VAL QG2 61 GLN HN 5.25 (#peak 1401)
&rst
ixpk= 1401, nxpk= 0, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 665, 666, 667,
&end
#
# 41 VAL QG2 62 ARG HN 3.82 (#peak 773)
&rst
ixpk= 773, nxpk= 0, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 665, 666, 667,
&end
#
# 41 VAL QG2 64 CYS HA 3.34 (#peak 2399)
&rst
ixpk= 2399, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 665, 666, 667,
&end
#
# 41 VAL QG2 64 CYS HB2 5.25 (#peak 702)
&rst
ixpk= 702, nxpk= 0, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 665, 666, 667,
&end
#
# 41 VAL QG2 64 CYS HB3 5.25 (#peak 2397)
&rst
ixpk= 2397, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 665, 666, 667,
&end
#
# 41 VAL QG2 64 CYS QB 4.43 (#peak 2397)
&rst
ixpk= 2397, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 665, 666, 667,
igr2=1011,1012,
&end
#
# 42 ILE HN 42 ILE HG12 3.86 (#peak 654)
&rst
ixpk= 654, nxpk= 0, iat= 671, 681, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 42 ILE HN 42 ILE HG13 3.24 (#peak 656)
&rst
ixpk= 656, nxpk= 0, iat= 671, 682, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 42 ILE HN 42 ILE QD1 4.05 (#peak 2448)
&rst
ixpk= 2448, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 684, 685, 686,
&end
#
# 42 ILE HN 42 ILE QG2 3.66 (#peak 657)
&rst
ixpk= 657, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 677, 678, 679,
&end
#
# 42 ILE HN 43 TYR HN 3.23 (#peak 618)
&rst
ixpk= 618, nxpk= 0, iat= 671, 690, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 42 ILE HA 42 ILE QD1 4.35 (#peak 2444)
&rst
ixpk= 2444, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 684, 685, 686,
&end
#
# 42 ILE HA 42 ILE QG2 3.11 (#peak 2428)
&rst
ixpk= 2428, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 677, 678, 679,
&end
#
# 42 ILE HA 43 TYR HB2 6.00 (#peak 473 )
&rst
ixpk= 473, nxpk= 0, iat= 673, 694, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 ILE HA 60 MET QE 5.50 (#peak 2412 )
&rst
ixpk= 2412, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 946, 947, 948,
&end
#
# 42 ILE HB 42 ILE QD1 3.41 (#peak 2439)
&rst
ixpk= 2439, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 684, 685, 686,
&end
#
# 42 ILE HB 43 TYR HN 4.52 (#peak 626)
&rst
ixpk= 626, nxpk= 0, iat= 675, 690, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 42 ILE HG12 43 TYR HN 3.74 (#peak 629)
&rst
ixpk= 629, nxpk= 0, iat= 681, 690, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 42 ILE HG13 43 TYR HN 2.91 (#peak 630)
&rst
ixpk= 630, nxpk= 0, iat= 682, 690, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 42 ILE QD1 124 MET HA 5.50 (#peak 1751)
&rst
ixpk= 1751, nxpk= 0, iat= -1,1933, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 684, 685, 686,
&end
#
# 42 ILE QD1 124 MET QE 4.12 (#peak 2438)
&rst
ixpk= 2438, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 684, 685, 686,
igr2=1942,1943,1944,
&end
#
# 42 ILE QD1 125 PHE HN 5.50 (#peak 1297)
&rst
ixpk= 1297, nxpk= 0, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 684, 685, 686,
&end
#
# 42 ILE QD1 43 TYR HN 4.10 (#peak 2446)
&rst
ixpk= 2446, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 684, 685, 686,
&end
#
# 42 ILE QG2 43 TYR HN 4.23 (#peak 631)
&rst
ixpk= 631, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 677, 678, 679,
&end
#
# 43 TYR HN 43 TYR HB2 5.00 (#peak 624 )
&rst
ixpk= 624, nxpk= 0, iat= 690, 694, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 TYR HN 43 TYR HD 6.43 (#peak 619)
&rst
ixpk= 619, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr2= 698, 707,
&end
#
# 43 TYR HN 59 VAL QQG 5.50 (#peak 1937 )
&rst
ixpk= 1937, nxpk= 0, iat= 690, 922, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 43 TYR HA 44 CYS HN 3.12 (#peak 1597)
&rst
ixpk= 1597, nxpk= 0, iat= 692, 711, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 43 TYR HA 44 CYS HA 4.42 (#peak 426)
&rst
ixpk= 426, nxpk= 0, iat= 692, 713, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 43 TYR HA 60 MET QE 4.36 (#peak 468)
&rst
ixpk= 468, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 946, 947, 948,
&end
#
# 43 TYR HB2 44 CYS HN 4.50 (#peak 1601)
&rst
ixpk= 1601, nxpk= 0, iat= 694, 711, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 TYR HB3 44 CYS HN 3.96 (#peak 1598)
&rst
ixpk= 1598, nxpk= 0, iat= 695, 711, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 43 TYR HD 44 CYS HN 5.62 (#peak 1595)
&rst
ixpk= 1595, nxpk= 0, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 698, 707,
&end
#
# 43 TYR HD 45 ASN HN 6.23 (#peak 490)
&rst
ixpk= 490, nxpk= 0, iat= -1, 722, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 698, 707,
&end
#
# 43 TYR HD 45 ASN HA 6.02 (#peak 477)
&rst
ixpk= 477, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 698, 707,
&end
#
# 43 TYR HD 46 ASP HN 7.50 (#peak 667 )
&rst
ixpk= 667, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1= 698, 707,
&end
#
# 43 TYR HD 60 MET QE 7.27 (#peak 2981)
&rst
ixpk= 2981, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 698, 707,
igr2= 946, 947, 948,
&end
#
# 44 CYS HN 44 CYS HB2 4.11 (#peak 1599)
&rst
ixpk= 1599, nxpk= 0, iat= 711, 715, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 44 CYS HN 44 CYS HB3 4.11 (#peak 1600)
&rst
ixpk= 1600, nxpk= 0, iat= 711, 716, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 44 CYS HN 44 CYS QB 3.61 (#peak 1600)
&rst
ixpk= 1600, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 715, 716,
&end
#
# 44 CYS HN 45 ASN HN 4.44 (#peak 489)
&rst
ixpk= 489, nxpk= 0, iat= 711, 722, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 44 CYS HN 48 PHE HD 6.73 (#peak 1596)
&rst
ixpk= 1596, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr2= 763, 771,
&end
#
# 44 CYS HN 59 VAL QQG 5.50 (#peak 1604 )
&rst
ixpk= 1604, nxpk= 0, iat= 711, 922, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 44 CYS HN 60 MET QE 4.11 (#peak 2985)
&rst
ixpk= 2985, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 946, 947, 948,
&end
#
# 44 CYS HB2 45 ASN HN 4.43 (#peak 495)
&rst
ixpk= 495, nxpk= 0, iat= 715, 722, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 44 CYS HB2 48 PHE HD 6.68 (#peak 2454)
&rst
ixpk= 2454, nxpk= 0, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 763, 771,
&end
#
# 44 CYS HB3 45 ASN HN 4.43 (#peak 496)
&rst
ixpk= 496, nxpk= 0, iat= 716, 722, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 44 CYS HB3 48 PHE HD 6.68 (#peak 2453)
&rst
ixpk= 2453, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 763, 771,
&end
#
# 44 CYS QB 45 ASN HN 3.71 (#peak 495)
&rst
ixpk= 495, nxpk= 0, iat= -1, 722, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 715, 716,
&end
#
# 44 CYS QB 48 PHE HD 6.09 (#peak 2454)
&rst
ixpk= 2454, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
igr1= 715, 716,
igr2= 763, 771,
&end
#
# 44 CYS QB 59 VAL QQG 3.08 (#peak 2537)
&rst
ixpk= 2537, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 715, 716,
&end
#
# 44 CYS QB 60 MET QE 3.78 (#peak 2978)
&rst
ixpk= 2978, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 715, 716,
igr2= 946, 947, 948,
&end
#
# 45 ASN HN 45 ASN HB2 4.11 (#peak 493)
&rst
ixpk= 493, nxpk= 0, iat= 722, 726, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 45 ASN HN 45 ASN HB3 4.11 (#peak 497)
&rst
ixpk= 497, nxpk= 0, iat= 722, 727, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 45 ASN HN 45 ASN QB 3.43 (#peak 497)
&rst
ixpk= 497, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 726, 727,
&end
#
# 45 ASN HN 46 ASP HN 4.63 (#peak 488)
&rst
ixpk= 488, nxpk= 0, iat= 722, 736, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 45 ASN HN 48 PHE HB3 5.50 (#peak 494 )
&rst
ixpk= 494, nxpk= 0, iat= 722, 760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 ASN HN 48 PHE HD 7.00 (#peak 491)
&rst
ixpk= 491, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 763, 771,
&end
#
# 45 ASN HN 59 VAL QQG 5.44 (#peak 498)
&rst
ixpk= 498, nxpk= 0, iat= 722, 922, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 45 ASN HA 46 ASP HN 3.54 (#peak 665)
&rst
ixpk= 665, nxpk= 0, iat= 724, 736, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 45 ASN HA 48 PHE HD 7.00 (#peak 476)
&rst
ixpk= 476, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 763, 771,
&end
#
# 45 ASN HB2 46 ASP HN 3.93 (#peak 663)
&rst
ixpk= 663, nxpk= 0, iat= 726, 736, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 45 ASN HB2 48 PHE HD 6.58 (#peak 480)
&rst
ixpk= 480, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 763, 771,
&end
#
# 45 ASN HB3 46 ASP HN 3.93 (#peak 662)
&rst
ixpk= 662, nxpk= 0, iat= 727, 736, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 45 ASN HB3 48 PHE HD 6.58 (#peak 487)
&rst
ixpk= 487, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 763, 771,
&end
#
# 45 ASN HB3 49 CYS HN 5.50 (#peak 875 )
&rst
ixpk= 875, nxpk= 0, iat= 727, 775, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 ASN QB 46 ASP HN 3.43 (#peak 662)
&rst
ixpk= 662, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1= 726, 727,
&end
#
# 45 ASN QB 47 GLY HN 3.79 (#peak 1591)
&rst
ixpk= 1591, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 726, 727,
&end
#
# 45 ASN QB 47 GLY HA2 5.24 (#peak 2723)
&rst
ixpk= 2723, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 726, 727,
&end
#
# 45 ASN QB 47 GLY HA3 4.48 (#peak 2722)
&rst
ixpk= 2722, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 726, 727,
&end
#
# 45 ASN QB 48 PHE HN 4.24 (#peak 337)
&rst
ixpk= 337, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 726, 727,
&end
#
# 45 ASN QB 48 PHE HD 6.02 (#peak 487)
&rst
ixpk= 487, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr1= 726, 727,
igr2= 763, 771,
&end
#
# 46 ASP HN 46 ASP QB 3.55 (#peak 661)
&rst
ixpk= 661, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 740, 741,
&end
#
# 46 ASP HN 47 GLY HN 3.60 (#peak 668)
&rst
ixpk= 668, nxpk= 0, iat= 736, 748, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 46 ASP HN 47 GLY HA3 4.88 (#peak 1637)
&rst
ixpk= 1637, nxpk= 0, iat= 736, 751, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 46 ASP HN 48 PHE HD 6.86 (#peak 666)
&rst
ixpk= 666, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 763, 771,
&end
#
# 46 ASP HA 48 PHE HN 5.50 (#peak 494)
&rst
ixpk= 494, nxpk= 0, iat= 738, 755, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ASP HA 49 CYS HN 4.04 (#peak 496)
&rst
ixpk= 496, nxpk= 0, iat= 738, 775, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 46 ASP HA 49 CYS HA 5.07 (#peak 501)
&rst
ixpk= 501, nxpk= 0, iat= 738, 777, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 46 ASP HA 49 CYS HB2 4.10 (#peak 498)
&rst
ixpk= 498, nxpk= 0, iat= 738, 779, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 46 ASP HA 49 CYS HB3 4.10 (#peak 499)
&rst
ixpk= 499, nxpk= 0, iat= 738, 780, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 46 ASP HA 49 CYS QB 3.51 (#peak 499)
&rst
ixpk= 499, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 779, 780,
&end
#
# 46 ASP HA 50 GLU HN 5.50 (#peak 494)
&rst
ixpk= 494, nxpk= 0, iat= 738, 786, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ASP HA 50 GLU QG 4.82 (#peak 502)
&rst
ixpk= 502, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 793, 794,
&end
#
# 46 ASP HB2 47 GLY HN 4.90 (#peak 507)
&rst
ixpk= 507, nxpk= 0, iat= 740, 748, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 46 ASP HB3 47 GLY HN 4.90 (#peak 507)
&rst
ixpk= 507, nxpk= 0, iat= 741, 748, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 46 ASP QB 47 GLY HN 4.11 (#peak 507)
&rst
ixpk= 507, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 740, 741,
&end
#
# 46 ASP QB 49 CYS HN 5.50 (#peak 873 )
&rst
ixpk= 873, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 740, 741,
&end
#
# 47 GLY HN 48 PHE HN 3.61 (#peak 345)
&rst
ixpk= 345, nxpk= 0, iat= 748, 755, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 47 GLY HN 49 CYS HN 4.76 (#peak 863)
&rst
ixpk= 863, nxpk= 0, iat= 748, 775, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 47 GLY HA2 50 GLU HB2 4.62 (#peak 562)
&rst
ixpk= 562, nxpk= 0, iat= 750, 790, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 47 GLY HA3 48 PHE HN 3.41 (#peak 340)
&rst
ixpk= 340, nxpk= 0, iat= 751, 755, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 48 PHE HN 48 PHE HB2 3.70 (#peak 339)
&rst
ixpk= 339, nxpk= 0, iat= 755, 759, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 48 PHE HN 48 PHE HB3 3.70 (#peak 338)
&rst
ixpk= 338, nxpk= 0, iat= 755, 760, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 48 PHE HN 48 PHE QB 3.11 (#peak 339)
&rst
ixpk= 339, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 759, 760,
&end
#
# 48 PHE HN 48 PHE HD 5.77 (#peak 343)
&rst
ixpk= 343, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr2= 763, 771,
&end
#
# 48 PHE HN 49 CYS HN 3.49 (#peak 344)
&rst
ixpk= 344, nxpk= 0, iat= 755, 775, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 48 PHE HN 51 LEU QQD 5.44 (#peak 334)
&rst
ixpk= 334, nxpk= 0, iat= 755, 807, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 48 PHE HA 129 PHE HB3 6.00 (#peak 523 )
&rst
ixpk= 523, nxpk= 0, iat= 757,2025, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 PHE HA 48 PHE HD 6.07 (#peak 515)
&rst
ixpk= 515, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 763, 771,
&end
#
# 48 PHE HA 51 LEU HN 3.29 (#peak 849)
&rst
ixpk= 849, nxpk= 0, iat= 757, 801, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 48 PHE HA 51 LEU HB2 4.26 (#peak 522)
&rst
ixpk= 522, nxpk= 0, iat= 757, 805, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 48 PHE HA 51 LEU HB3 4.44 (#peak 578)
&rst
ixpk= 578, nxpk= 0, iat= 757, 806, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 48 PHE HA 51 LEU QQD 3.52 (#peak 2485)
&rst
ixpk= 2485, nxpk= 0, iat= 757, 807, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 48 PHE HB2 49 CYS HN 4.33 (#peak 1633)
&rst
ixpk= 1633, nxpk= 0, iat= 759, 775, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 48 PHE HB3 49 CYS HN 4.33 (#peak 1634)
&rst
ixpk= 1634, nxpk= 0, iat= 760, 775, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 48 PHE QB 49 CYS HN 3.74 (#peak 1633)
&rst
ixpk= 1633, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 759, 760,
&end
#
# 48 PHE QB 51 LEU QQD 3.98 (#peak 2488)
&rst
ixpk= 2488, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 759, 760,
&end
#
# 48 PHE HD 49 CYS HN 5.73 (#peak 867)
&rst
ixpk= 867, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 763, 771,
&end
#
# 48 PHE HD 49 CYS HA 6.39 (#peak 531)
&rst
ixpk= 531, nxpk= 0, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 763, 771,
&end
#
# 48 PHE HD 51 LEU HN 6.10 (#peak 1790)
&rst
ixpk= 1790, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 763, 771,
&end
#
# 48 PHE HD 51 LEU QQD 6.44 (#peak 2483)
&rst
ixpk= 2483, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
igr1= 763, 771,
&end
#
# 48 PHE HD 59 VAL QG1 6.28 (#peak 2528)
&rst
ixpk= 2528, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 763, 771,
igr2= 925, 926, 927,
&end
#
# 48 PHE HD 59 VAL QG2 6.28 (#peak 2528)
&rst
ixpk= 2528, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 763, 771,
igr2= 929, 930, 931,
&end
#
# 48 PHE HD 59 VAL QQG 5.67 (#peak 2528)
&rst
ixpk= 2528, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr1= 763, 771,
&end
#
# 48 PHE HD 60 MET QE 7.24 (#peak 2983)
&rst
ixpk= 2983, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
igr1= 763, 771,
igr2= 946, 947, 948,
&end
#
# 48 PHE HD 62 ARG QD 8.00 (#peak 2737 )
&rst
ixpk= 2737, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 763, 771,
igr2= 979, 980,
&end
#
# 49 CYS HN 49 CYS HB2 3.45 (#peak 871)
&rst
ixpk= 871, nxpk= 0, iat= 775, 779, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 49 CYS HN 49 CYS HB3 3.45 (#peak 872)
&rst
ixpk= 872, nxpk= 0, iat= 775, 780, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 49 CYS HN 50 GLU HN 3.12 (#peak 862)
&rst
ixpk= 862, nxpk= 0, iat= 775, 786, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 49 CYS HN 50 GLU HA 5.43 (#peak 553)
&rst
ixpk= 553, nxpk= 0, iat= 775, 788, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 49 CYS HN 50 GLU QG 4.23 (#peak 874)
&rst
ixpk= 874, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 793, 794,
&end
#
# 49 CYS HN 51 LEU HN 4.12 (#peak 848)
&rst
ixpk= 848, nxpk= 0, iat= 775, 801, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 49 CYS HA 50 GLU HG3 5.50 (#peak 536 )
&rst
ixpk= 536, nxpk= 0, iat= 777, 794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 CYS HA 52 CYS HN 4.89 (#peak 1571)
&rst
ixpk= 1571, nxpk= 0, iat= 777, 820, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 49 CYS HA 53 GLY HN 4.52 (#peak 1495)
&rst
ixpk= 1495, nxpk= 0, iat= 777, 831, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 49 CYS HA 54 TYR HN 5.00 (#peak 991)
&rst
ixpk= 991, nxpk= 0, iat= 777, 838, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 49 CYS HA 59 VAL QG1 5.50 (#peak 538)
&rst
ixpk= 538, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 925, 926, 927,
&end
#
# 49 CYS HA 59 VAL QG2 5.50 (#peak 538)
&rst
ixpk= 538, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 929, 930, 931,
&end
#
# 49 CYS QB 50 GLU HN 3.44 (#peak 908)
&rst
ixpk= 908, nxpk= 0, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 779, 780,
&end
#
# 49 CYS QB 50 GLU QG 4.03 (#peak 548)
&rst
ixpk= 548, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 779, 780,
igr2= 793, 794,
&end
#
# 50 GLU HN 50 GLU HB2 2.71 (#peak 912)
&rst
ixpk= 912, nxpk= 0, iat= 786, 790, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 50 GLU HN 50 GLU HG2 3.84 (#peak 2387)
&rst
ixpk= 2387, nxpk= 0, iat= 786, 793, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 50 GLU HN 50 GLU HG3 3.84 (#peak 910)
&rst
ixpk= 910, nxpk= 0, iat= 786, 794, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 50 GLU HN 50 GLU QG 3.27 (#peak 910)
&rst
ixpk= 910, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 793, 794,
&end
#
# 50 GLU HN 51 LEU HN 3.26 (#peak 898)
&rst
ixpk= 898, nxpk= 0, iat= 786, 801, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 50 GLU HN 51 LEU HB2 4.60 (#peak 917)
&rst
ixpk= 917, nxpk= 0, iat= 786, 805, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 50 GLU HN 51 LEU QD2 6.00 (#peak 919 )
&rst
ixpk= 919, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 814, 815, 816,
&end
#
# 50 GLU HN 52 CYS HN 4.69 (#peak 1566)
&rst
ixpk= 1566, nxpk= 0, iat= 786, 820, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 50 GLU HN 53 GLY QA 5.34 (#peak 906)
&rst
ixpk= 906, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 833, 834,
&end
#
# 50 GLU HA 50 GLU HB3 2.86 (#peak 556)
&rst
ixpk= 556, nxpk= 0, iat= 788, 791, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 50 GLU HA 50 GLU HG2 4.00 (#peak 558)
&rst
ixpk= 558, nxpk= 0, iat= 788, 793, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 50 GLU HA 50 GLU HG3 4.00 (#peak 557)
&rst
ixpk= 557, nxpk= 0, iat= 788, 794, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 50 GLU HA 50 GLU QG 3.24 (#peak 557)
&rst
ixpk= 557, nxpk= 0, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 793, 794,
&end
#
# 50 GLU HA 53 GLY HN 4.32 (#peak 550)
&rst
ixpk= 550, nxpk= 0, iat= 788, 831, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 50 GLU HA 53 GLY QA 4.34 (#peak 555)
&rst
ixpk= 555, nxpk= 0, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 833, 834,
&end
#
# 50 GLU HB2 51 LEU HN 3.22 (#peak 853)
&rst
ixpk= 853, nxpk= 0, iat= 790, 801, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 50 GLU HB2 51 LEU HA 4.40 (#peak 573)
&rst
ixpk= 573, nxpk= 0, iat= 790, 803, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 50 GLU QG 51 LEU HN 4.23 (#peak 851)
&rst
ixpk= 851, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 793, 794,
&end
#
# 51 LEU HN 51 LEU HB2 3.20 (#peak 855)
&rst
ixpk= 855, nxpk= 0, iat= 801, 805, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 51 LEU HN 51 LEU HB3 3.20 (#peak 854)
&rst
ixpk= 854, nxpk= 0, iat= 801, 806, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 51 LEU HN 51 LEU HG 4.53 (#peak 856)
&rst
ixpk= 856, nxpk= 0, iat= 801, 808, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 51 LEU HN 51 LEU QD1 4.35 (#peak 857)
&rst
ixpk= 857, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 810, 811, 812,
&end
#
# 51 LEU HN 51 LEU QD2 4.35 (#peak 2501)
&rst
ixpk= 2501, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 814, 815, 816,
&end
#
# 51 LEU HN 51 LEU QQD 3.76 (#peak 2501)
&rst
ixpk= 2501, nxpk= 0, iat= 801, 807, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 51 LEU HN 52 CYS HN 3.60 (#peak 1564)
&rst
ixpk= 1564, nxpk= 0, iat= 801, 820, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 51 LEU HN 53 GLY HN 4.60 (#peak 1492)
&rst
ixpk= 1492, nxpk= 0, iat= 801, 831, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 51 LEU HA 131 VAL QQG 4.53 (#peak 1933)
&rst
ixpk= 1933, nxpk= 0, iat= 803,2058, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, &end
#
# 51 LEU HA 51 LEU HG 3.88 (#peak 571)
&rst
ixpk= 571, nxpk= 0, iat= 803, 808, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 51 LEU HA 51 LEU QD1 4.08 (#peak 568)
&rst
ixpk= 568, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 810, 811, 812,
&end
#
# 51 LEU HA 51 LEU QD2 4.08 (#peak 2495)
&rst
ixpk= 2495, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 814, 815, 816,
&end
#
# 51 LEU HA 51 LEU QQD 2.94 (#peak 2495)
&rst
ixpk= 2495, nxpk= 0, iat= 803, 807, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 51 LEU HA 52 CYS HA 4.69 (#peak 565)
&rst
ixpk= 565, nxpk= 0, iat= 803, 822, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 51 LEU HB2 51 LEU QD1 3.41 (#peak 2489)
&rst
ixpk= 2489, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 810, 811, 812,
&end
#
# 51 LEU HB2 51 LEU QD2 3.41 (#peak 2508)
&rst
ixpk= 2508, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 814, 815, 816,
&end
#
# 51 LEU HB2 52 CYS HN 3.84 (#peak 1577)
&rst
ixpk= 1577, nxpk= 0, iat= 805, 820, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 51 LEU HB2 53 GLY HN 5.50 (#peak 1500)
&rst
ixpk= 1500, nxpk= 0, iat= 805, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 LEU HB3 52 CYS HN 3.56 (#peak 1576)
&rst
ixpk= 1576, nxpk= 0, iat= 806, 820, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 51 LEU HG 52 CYS HN 3.89 (#peak 1578)
&rst
ixpk= 1578, nxpk= 0, iat= 808, 820, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 51 LEU HG 53 GLY HN 5.34 (#peak 1501)
&rst
ixpk= 1501, nxpk= 0, iat= 808, 831, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 51 LEU QD1 129 PHE HB3 4.61 (#peak 2487)
&rst
ixpk= 2487, nxpk= 0, iat= -1,2025, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 810, 811, 812,
&end
#
# 51 LEU QD1 131 VAL HN 5.17 (#peak 197)
&rst
ixpk= 197, nxpk= 0, iat= -1,2055, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 810, 811, 812,
&end
#
# 51 LEU QD1 52 CYS HN 4.33 (#peak 1579)
&rst
ixpk= 1579, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 810, 811, 812,
&end
#
# 51 LEU QD1 98 PHE HD 6.23 (#peak 2480)
&rst
ixpk= 2480, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1= 810, 811, 812,
igr2=1537,1545,
&end
#
# 51 LEU QD2 100 ARG HE 6.00 (#peak 1711 )
&rst
ixpk= 1711, nxpk= 0, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 814, 815, 816,
&end
#
# 51 LEU QD2 106 PHE HD 7.50 (#peak 2499 )
&rst
ixpk= 2499, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.11, r4=10.61,
igr1= 814, 815, 816,
igr2=1665,1673,
&end
#
# 51 LEU QD2 129 PHE HB3 4.61 (#peak 2505)
&rst
ixpk= 2505, nxpk= 0, iat= -1,2025, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 814, 815, 816,
&end
#
# 51 LEU QD2 131 VAL HN 5.17 (#peak 196)
&rst
ixpk= 196, nxpk= 0, iat= -1,2055, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 814, 815, 816,
&end
#
# 51 LEU QD2 52 CYS HN 4.33 (#peak 2500)
&rst
ixpk= 2500, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 814, 815, 816,
&end
#
# 51 LEU QD2 98 PHE HD 6.23 (#peak 2498)
&rst
ixpk= 2498, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1= 814, 815, 816,
igr2=1537,1545,
&end
#
# 51 LEU QQD 129 PHE HN 4.29 (#peak 550)
&rst
ixpk= 550, nxpk= 0, iat= 807,2020, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, &end
#
# 51 LEU QQD 129 PHE HB2 3.67 (#peak 2486)
&rst
ixpk= 2486, nxpk= 0, iat= 807,2024, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 51 LEU QQD 129 PHE HB3 3.43 (#peak 2487)
&rst
ixpk= 2487, nxpk= 0, iat= 807,2025, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 51 LEU QQD 129 PHE HD 5.67 (#peak 2478)
&rst
ixpk= 2478, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2=2028,2036,
&end
#
# 51 LEU QQD 131 VAL HN 4.18 (#peak 196)
&rst
ixpk= 196, nxpk= 0, iat= 807,2055, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, &end
#
# 51 LEU QQD 131 VAL QQG 2.75 (#peak 1944)
&rst
ixpk= 1944, nxpk= 0, iat= 807,2058, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, &end
#
# 51 LEU QQD 52 CYS HN 3.79 (#peak 1579)
&rst
ixpk= 1579, nxpk= 0, iat= 807, 820, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 51 LEU QQD 53 GLY HN 5.44 (#peak 1502)
&rst
ixpk= 1502, nxpk= 0, iat= 807, 831, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 52 CYS HN 52 CYS QB 3.63 (#peak 1574)
&rst
ixpk= 1574, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 824, 825,
&end
#
# 52 CYS HN 53 GLY HN 3.34 (#peak 1490)
&rst
ixpk= 1490, nxpk= 0, iat= 820, 831, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 52 CYS HN 54 TYR HN 4.59 (#peak 987)
&rst
ixpk= 987, nxpk= 0, iat= 820, 838, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 52 CYS HN 54 TYR HD 7.29 (#peak 1567)
&rst
ixpk= 1567, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr2= 846, 855,
&end
#
# 52 CYS HB2 54 TYR HD 6.66 (#peak 2512)
&rst
ixpk= 2512, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr2= 846, 855,
&end
#
# 52 CYS HB3 54 TYR HD 6.66 (#peak 593)
&rst
ixpk= 593, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr2= 846, 855,
&end
#
# 52 CYS QB 53 GLY HN 4.10 (#peak 1497)
&rst
ixpk= 1497, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 824, 825,
&end
#
# 53 GLY HN 54 TYR HN 3.27 (#peak 985)
&rst
ixpk= 985, nxpk= 0, iat= 831, 838, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 53 GLY HN 54 TYR QB 5.20 (#peak 1498)
&rst
ixpk= 1498, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 842, 843,
&end
#
# 53 GLY HN 54 TYR HD 6.92 (#peak 1491)
&rst
ixpk= 1491, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
igr2= 846, 855,
&end
#
# 54 TYR HN 54 TYR QB 3.02 (#peak 993)
&rst
ixpk= 993, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 842, 843,
&end
#
# 54 TYR HN 54 TYR HD 5.47 (#peak 988)
&rst
ixpk= 988, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 846, 855,
&end
#
# 54 TYR HN 55 SER HN 4.03 (#peak 1224)
&rst
ixpk= 1224, nxpk= 0, iat= 838, 859, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 54 TYR HA 54 TYR HD 6.11 (#peak 602)
&rst
ixpk= 602, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2= 846, 855,
&end
#
# 54 TYR HB2 55 SER HN 4.14 (#peak 1229)
&rst
ixpk= 1229, nxpk= 0, iat= 842, 859, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 54 TYR HB3 55 SER HN 4.14 (#peak 1229)
&rst
ixpk= 1229, nxpk= 0, iat= 843, 859, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 54 TYR QB 55 SER HN 3.39 (#peak 1229)
&rst
ixpk= 1229, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 842, 843,
&end
#
# 54 TYR QB 58 GLU QB 4.71 (#peak 2517)
&rst
ixpk= 2517, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 842, 843,
igr2= 908, 909,
&end
#
# 54 TYR QB 59 VAL QQG 4.20 (#peak 608)
&rst
ixpk= 608, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 842, 843,
&end
#
# 54 TYR HD 55 SER HN 6.04 (#peak 1225)
&rst
ixpk= 1225, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 846, 855,
&end
#
# 54 TYR HD 59 VAL QQG 6.38 (#peak 2527)
&rst
ixpk= 2527, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 9.36, r4= 9.86,
igr1= 846, 855,
&end
#
# 54 TYR HD 69 LEU QD1 7.00 (#peak 2920 )
&rst
ixpk= 2920, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 846, 855,
igr2=1084,1085,1086,
&end
#
# 55 SER HN 55 SER HB2 4.21 (#peak 1227)
&rst
ixpk= 1227, nxpk= 0, iat= 859, 863, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 55 SER HN 55 SER HB3 4.21 (#peak 1228)
&rst
ixpk= 1228, nxpk= 0, iat= 859, 864, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 55 SER HN 55 SER QB 3.57 (#peak 1228)
&rst
ixpk= 1228, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 863, 864,
&end
#
# 55 SER HN 56 ARG HN 4.83 (#peak 1719)
&rst
ixpk= 1719, nxpk= 0, iat= 859, 870, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 55 SER HN 58 GLU HN 4.87 (#peak 1276)
&rst
ixpk= 1276, nxpk= 0, iat= 859, 904, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 55 SER HN 58 GLU HB2 5.50 (#peak 1230 )
&rst
ixpk= 1230, nxpk= 0, iat= 859, 908, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 SER HN 58 GLU HG2 5.50 (#peak 1231)
&rst
ixpk= 1231, nxpk= 0, iat= 859, 911, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 SER HN 58 GLU HG3 5.50 (#peak 1231)
&rst
ixpk= 1231, nxpk= 0, iat= 859, 912, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 SER HN 58 GLU QB 4.04 (#peak 1232)
&rst
ixpk= 1232, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 908, 909,
&end
#
# 55 SER HN 58 GLU QG 4.84 (#peak 1231)
&rst
ixpk= 1231, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 911, 912,
&end
#
# 55 SER HN 59 VAL QQG 4.26 (#peak 1234)
&rst
ixpk= 1234, nxpk= 0, iat= 859, 922, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, &end
#
# 55 SER HA 56 ARG HN 3.15 (#peak 509)
&rst
ixpk= 509, nxpk= 0, iat= 861, 870, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 55 SER HA 56 ARG QB 6.00 (#peak 612 )
&rst
ixpk= 612, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 874, 875,
&end
#
# 55 SER HA 57 ALA HN 4.51 (#peak 613)
&rst
ixpk= 613, nxpk= 0, iat= 861, 894, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 55 SER HA 57 ALA QB 5.50 (#peak 640)
&rst
ixpk= 640, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 898, 899, 900,
&end
#
# 55 SER HB2 56 ARG HN 4.58 (#peak 508)
&rst
ixpk= 508, nxpk= 0, iat= 863, 870, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 55 SER HB3 56 ARG HN 4.58 (#peak 615)
&rst
ixpk= 615, nxpk= 0, iat= 864, 870, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 55 SER QB 56 ARG HN 3.74 (#peak 508)
&rst
ixpk= 508, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 863, 864,
&end
#
# 55 SER QB 57 ALA QB 3.97 (#peak 639)
&rst
ixpk= 639, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 863, 864,
igr2= 898, 899, 900,
&end
#
# 55 SER QB 58 GLU QB 4.25 (#peak 2516)
&rst
ixpk= 2516, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 863, 864,
igr2= 908, 909,
&end
#
# 55 SER QB 59 VAL QQG 5.28 (#peak 2534)
&rst
ixpk= 2534, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
igr1= 863, 864,
&end
#
# 56 ARG HN 56 ARG HB2 3.65 (#peak 503)
&rst
ixpk= 503, nxpk= 0, iat= 870, 874, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 56 ARG HN 56 ARG HB3 3.65 (#peak 503)
&rst
ixpk= 503, nxpk= 0, iat= 870, 875, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 56 ARG HN 56 ARG QB 3.17 (#peak 503)
&rst
ixpk= 503, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 874, 875,
&end
#
# 56 ARG HN 57 ALA HN 3.43 (#peak 1034)
&rst
ixpk= 1034, nxpk= 0, iat= 870, 894, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 56 ARG HN 57 ALA QB 4.37 (#peak 501)
&rst
ixpk= 501, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 898, 899, 900,
&end
#
# 56 ARG HN 58 GLU HG3 6.00 (#peak 504 )
&rst
ixpk= 504, nxpk= 0, iat= 870, 912, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 ARG HN 59 VAL HN 5.31 (#peak 511)
&rst
ixpk= 511, nxpk= 0, iat= 870, 919, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 56 ARG HA 57 ALA QB 5.50 (#peak 627 )
&rst
ixpk= 627, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 898, 899, 900,
&end
#
# 56 ARG HA 59 VAL HN 4.55 (#peak 1012)
&rst
ixpk= 1012, nxpk= 0, iat= 872, 919, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 56 ARG HA 59 VAL HB 4.83 (#peak 624)
&rst
ixpk= 624, nxpk= 0, iat= 872, 923, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 56 ARG HA 59 VAL QG1 4.53 (#peak 628)
&rst
ixpk= 628, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 925, 926, 927,
&end
#
# 56 ARG HA 59 VAL QG2 4.53 (#peak 628)
&rst
ixpk= 628, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 929, 930, 931,
&end
#
# 56 ARG HA 59 VAL QQG 3.93 (#peak 628)
&rst
ixpk= 628, nxpk= 0, iat= 872, 922, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 56 ARG HB2 57 ALA HN 4.87 (#peak 1044)
&rst
ixpk= 1044, nxpk= 0, iat= 874, 894, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 56 ARG HB3 57 ALA HN 4.87 (#peak 1044)
&rst
ixpk= 1044, nxpk= 0, iat= 875, 894, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 56 ARG QB 57 ALA HN 4.19 (#peak 1044)
&rst
ixpk= 1044, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 874, 875,
&end
#
# 57 ALA HN 57 ALA HA 2.94 (#peak 1039)
&rst
ixpk= 1039, nxpk= 0, iat= 894, 896, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 57 ALA HN 57 ALA QB 2.43 (#peak 1046)
&rst
ixpk= 1046, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 898, 899, 900,
&end
#
# 57 ALA HN 58 GLU HN 3.34 (#peak 1036)
&rst
ixpk= 1036, nxpk= 0, iat= 894, 904, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 57 ALA HN 59 VAL HN 4.20 (#peak 1037)
&rst
ixpk= 1037, nxpk= 0, iat= 894, 919, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 57 ALA HA 59 VAL HN 4.66 (#peak 636)
&rst
ixpk= 636, nxpk= 0, iat= 896, 919, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 57 ALA HA 60 MET HN 4.33 (#peak 634)
&rst
ixpk= 634, nxpk= 0, iat= 896, 935, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 57 ALA HA 60 MET QB 4.26 (#peak 632)
&rst
ixpk= 632, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 939, 940,
&end
#
# 57 ALA QB 58 GLU HN 3.20 (#peak 1286)
&rst
ixpk= 1286, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 898, 899, 900,
&end
#
# 57 ALA QB 58 GLU HA 4.56 (#peak 646)
&rst
ixpk= 646, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 898, 899, 900,
&end
#
# 57 ALA QB 58 GLU QG 4.08 (#peak 641)
&rst
ixpk= 641, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 898, 899, 900,
igr2= 911, 912,
&end
#
# 57 ALA QB 59 VAL HN 4.87 (#peak 74)
&rst
ixpk= 74, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 898, 899, 900,
&end
#
# 58 GLU HN 58 GLU HB2 3.60 (#peak 1284)
&rst
ixpk= 1284, nxpk= 0, iat= 904, 908, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 58 GLU HN 58 GLU HB3 3.60 (#peak 1285)
&rst
ixpk= 1285, nxpk= 0, iat= 904, 909, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 58 GLU HN 58 GLU HG2 3.93 (#peak 1742)
&rst
ixpk= 1742, nxpk= 0, iat= 904, 911, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 58 GLU HN 58 GLU HG3 3.93 (#peak 1743)
&rst
ixpk= 1743, nxpk= 0, iat= 904, 912, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 58 GLU HN 58 GLU QB 3.14 (#peak 1285)
&rst
ixpk= 1285, nxpk= 0, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 908, 909,
&end
#
# 58 GLU HN 58 GLU QG 3.23 (#peak 1743)
&rst
ixpk= 1743, nxpk= 0, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 911, 912,
&end
#
# 58 GLU HN 59 VAL HN 3.32 (#peak 1279)
&rst
ixpk= 1279, nxpk= 0, iat= 904, 919, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 58 GLU HN 59 VAL QG1 4.78 (#peak 1287)
&rst
ixpk= 1287, nxpk= 0, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 925, 926, 927,
&end
#
# 58 GLU HN 59 VAL QG2 4.78 (#peak 1287)
&rst
ixpk= 1287, nxpk= 0, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 929, 930, 931,
&end
#
# 58 GLU HN 59 VAL QQG 4.18 (#peak 1287)
&rst
ixpk= 1287, nxpk= 0, iat= 904, 922, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, &end
#
# 58 GLU HN 60 MET HN 3.97 (#peak 1278)
&rst
ixpk= 1278, nxpk= 0, iat= 904, 935, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 58 GLU HN 60 MET QG 5.24 (#peak 1282)
&rst
ixpk= 1282, nxpk= 0, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 942, 943,
&end
#
# 58 GLU HA 58 GLU QG 3.21 (#peak 643)
&rst
ixpk= 643, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 911, 912,
&end
#
# 58 GLU HA 59 VAL QG1 5.50 (#peak 645)
&rst
ixpk= 645, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 925, 926, 927,
&end
#
# 58 GLU HA 59 VAL QG2 5.50 (#peak 645)
&rst
ixpk= 645, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 929, 930, 931,
&end
#
# 58 GLU QB 59 VAL HN 4.19 (#peak 1014)
&rst
ixpk= 1014, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 908, 909,
&end
#
# 58 GLU QG 59 VAL HN 4.67 (#peak 1015)
&rst
ixpk= 1015, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 911, 912,
&end
#
# 59 VAL HN 59 VAL HB 3.74 (#peak 1016)
&rst
ixpk= 1016, nxpk= 0, iat= 919, 923, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 59 VAL HN 59 VAL QG1 3.72 (#peak 940)
&rst
ixpk= 940, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 925, 926, 927,
&end
#
# 59 VAL HN 59 VAL QG2 3.72 (#peak 940)
&rst
ixpk= 940, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 929, 930, 931,
&end
#
# 59 VAL HN 59 VAL QQG 3.26 (#peak 940)
&rst
ixpk= 940, nxpk= 0, iat= 919, 922, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 59 VAL HN 60 MET HN 3.23 (#peak 1260)
&rst
ixpk= 1260, nxpk= 0, iat= 919, 935, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 59 VAL HN 60 MET QG 4.77 (#peak 1013)
&rst
ixpk= 1013, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 942, 943,
&end
#
# 59 VAL HA 59 VAL QG1 3.68 (#peak 2535)
&rst
ixpk= 2535, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 925, 926, 927,
&end
#
# 59 VAL HA 59 VAL QG2 3.68 (#peak 2535)
&rst
ixpk= 2535, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 929, 930, 931,
&end
#
# 59 VAL HA 62 ARG HD2 4.76 (#peak 2734)
&rst
ixpk= 2734, nxpk= 0, iat= 921, 979, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 59 VAL HA 62 ARG HD3 4.76 (#peak 2734)
&rst
ixpk= 2734, nxpk= 0, iat= 921, 980, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 59 VAL HA 62 ARG HE 4.76 (#peak 651)
&rst
ixpk= 651, nxpk= 0, iat= 921, 982, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 59 VAL HA 62 ARG QB 4.21 (#peak 654)
&rst
ixpk= 654, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 973, 974,
&end
#
# 59 VAL HA 62 ARG QD 4.14 (#peak 2734)
&rst
ixpk= 2734, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 979, 980,
&end
#
# 59 VAL HA 62 ARG QG 4.08 (#peak 655)
&rst
ixpk= 655, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 976, 977,
&end
#
# 59 VAL HB 60 MET HN 4.62 (#peak 658)
&rst
ixpk= 658, nxpk= 0, iat= 923, 935, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 59 VAL HB 60 MET HA 5.00 (#peak 667 )
&rst
ixpk= 667, nxpk= 0, iat= 923, 937, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 59 VAL QG1 60 MET HN 4.80 (#peak 1271)
&rst
ixpk= 1271, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 925, 926, 927,
&end
#
# 59 VAL QG2 60 MET HN 4.80 (#peak 1271)
&rst
ixpk= 1271, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 929, 930, 931,
&end
#
# 59 VAL QQG 49 CYS HN 6.00 (#peak 876 )
&rst
ixpk= 876, nxpk= 0, iat= 922, 775, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 59 VAL QQG 54 TYR HN 6.00 (#peak 996 )
&rst
ixpk= 996, nxpk= 0, iat= 922, 838, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 59 VAL QQG 60 MET HN 3.95 (#peak 1271)
&rst
ixpk= 1271, nxpk= 0, iat= 922, 935, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 59 VAL QQG 60 MET HA 4.14 (#peak 665)
&rst
ixpk= 665, nxpk= 0, iat= 922, 937, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, &end
#
# 59 VAL QQG 60 MET QE 3.82 (#peak 2979)
&rst
ixpk= 2979, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 946, 947, 948,
&end
#
# 59 VAL QQG 61 GLN HN 4.24 (#peak 1402)
&rst
ixpk= 1402, nxpk= 0, iat= 922, 952, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, &end
#
# 59 VAL QQG 61 GLN QG 5.50 (#peak 2545 )
&rst
ixpk= 2545, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr2= 959, 960,
&end
#
# 59 VAL QQG 62 ARG HN 4.74 (#peak 774)
&rst
ixpk= 774, nxpk= 0, iat= 922, 969, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, &end
#
# 59 VAL QQG 62 ARG HA 5.50 (#peak 1934 )
&rst
ixpk= 1934, nxpk= 0, iat= 922, 971, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 59 VAL QQG 62 ARG QD 4.61 (#peak 2735)
&rst
ixpk= 2735, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr2= 979, 980,
&end
#
# 59 VAL QQG 62 ARG QG 4.72 (#peak 2552)
&rst
ixpk= 2552, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 976, 977,
&end
#
# 60 MET HN 60 MET HG2 4.18 (#peak 1265)
&rst
ixpk= 1265, nxpk= 0, iat= 935, 942, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 60 MET HN 60 MET HG3 4.18 (#peak 1266)
&rst
ixpk= 1266, nxpk= 0, iat= 935, 943, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 60 MET HN 60 MET QB 2.99 (#peak 1267)
&rst
ixpk= 1267, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 939, 940,
&end
#
# 60 MET HN 60 MET QE 3.77 (#peak 2984)
&rst
ixpk= 2984, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 946, 947, 948,
&end
#
# 60 MET HN 60 MET QG 3.41 (#peak 1265)
&rst
ixpk= 1265, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 942, 943,
&end
#
# 60 MET HN 61 GLN HN 4.34 (#peak 1720)
&rst
ixpk= 1720, nxpk= 0, iat= 935, 952, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 60 MET HN 61 GLN HG3 5.50 (#peak 1744)
&rst
ixpk= 1744, nxpk= 0, iat= 935, 960, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 MET HN 61 GLN QG 5.50 (#peak 1625 )
&rst
ixpk= 1625, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 959, 960,
&end
#
# 60 MET HA 60 MET QE 3.38 (#peak 2976)
&rst
ixpk= 2976, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 946, 947, 948,
&end
#
# 60 MET HA 61 GLN HN 3.22 (#peak 1395)
&rst
ixpk= 1395, nxpk= 0, iat= 937, 952, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 60 MET HA 61 GLN HG2 5.00 (#peak 669)
&rst
ixpk= 669, nxpk= 0, iat= 937, 959, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 MET HA 61 GLN HG3 4.76 (#peak 669)
&rst
ixpk= 669, nxpk= 0, iat= 937, 960, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 60 MET HA 62 ARG QB 5.50 (#peak 666 )
&rst
ixpk= 666, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 973, 974,
&end
#
# 60 MET HB2 61 GLN HN 5.49 (#peak 1399)
&rst
ixpk= 1399, nxpk= 0, iat= 939, 952, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 60 MET HB3 61 GLN HN 5.49 (#peak 1399)
&rst
ixpk= 1399, nxpk= 0, iat= 940, 952, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 60 MET HG2 61 GLN HE21 5.50 (#peak 1503 )
&rst
ixpk= 1503, nxpk= 0, iat= 942, 964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 MET HG2 61 GLN HE22 6.00 (#peak 1506 )
&rst
ixpk= 1506, nxpk= 0, iat= 942, 965, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 MET QG 60 MET QE 3.03 (#peak 2977)
&rst
ixpk= 2977, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 942, 943,
igr2= 946, 947, 948,
&end
#
# 61 GLN HN 61 GLN HG2 3.79 (#peak 1396)
&rst
ixpk= 1396, nxpk= 0, iat= 952, 959, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 61 GLN HN 61 GLN HG3 4.11 (#peak 1396)
&rst
ixpk= 1396, nxpk= 0, iat= 952, 960, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 61 GLN HN 62 ARG HN 3.32 (#peak 763)
&rst
ixpk= 763, nxpk= 0, iat= 952, 969, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 61 GLN HN 62 ARG QB 4.63 (#peak 1398)
&rst
ixpk= 1398, nxpk= 0, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 973, 974,
&end
#
# 61 GLN HA 61 GLN HG2 3.20 (#peak 1612)
&rst
ixpk= 1612, nxpk= 0, iat= 954, 959, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 61 GLN HA 62 ARG HN 3.18 (#peak 766)
&rst
ixpk= 766, nxpk= 0, iat= 954, 969, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 61 GLN HG2 61 GLN QE2 3.54 (#peak 1504)
&rst
ixpk= 1504, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 964, 965,
&end
#
# 61 GLN QB 62 ARG HN 4.24 (#peak 768)
&rst
ixpk= 768, nxpk= 0, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 956, 957,
&end
#
# 61 GLN QB 62 ARG QD 5.50 (#peak 2736 )
&rst
ixpk= 2736, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 956, 957,
igr2= 979, 980,
&end
#
# 62 ARG HN 62 ARG HE 5.00 (#peak 764 )
&rst
ixpk= 764, nxpk= 0, iat= 969, 982, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 ARG HN 62 ARG QB 2.86 (#peak 770)
&rst
ixpk= 770, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 973, 974,
&end
#
# 62 ARG HN 62 ARG QD 5.00 (#peak 764 )
&rst
ixpk= 764, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 979, 980,
&end
#
# 62 ARG HN 62 ARG QG 3.59 (#peak 2227)
&rst
ixpk= 2227, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 976, 977,
&end
#
# 62 ARG HA 62 ARG HD2 5.39 (#peak 683)
&rst
ixpk= 683, nxpk= 0, iat= 971, 979, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 62 ARG HA 62 ARG HD3 5.39 (#peak 683)
&rst
ixpk= 683, nxpk= 0, iat= 971, 980, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 62 ARG HA 62 ARG QD 4.57 (#peak 683)
&rst
ixpk= 683, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 979, 980,
&end
#
# 62 ARG QB 62 ARG HE 4.47 (#peak 1705)
&rst
ixpk= 1705, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 973, 974,
&end
#
# 64 CYS HA 66 CYS HN 5.00 (#peak 688)
&rst
ixpk= 688, nxpk= 0, iat=1009,1032, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 CYS HB2 65 THR HN 4.90 (#peak 1652)
&rst
ixpk= 1652, nxpk= 0, iat=1011,1018, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 64 CYS HB3 65 THR HN 4.90 (#peak 1653)
&rst
ixpk= 1653, nxpk= 0, iat=1012,1018, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 64 CYS QB 127 LEU QQD 4.80 (#peak 1851)
&rst
ixpk= 1851, nxpk= 0, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
igr1=1011,1012,
&end
#
# 64 CYS QB 65 THR HN 4.29 (#peak 1652)
&rst
ixpk= 1652, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1011,1012,
&end
#
# 64 CYS QB 86 LEU HG 5.34 (#peak 961)
&rst
ixpk= 961, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1011,1012,
&end
#
# 64 CYS QB 86 LEU QB 4.67 (#peak 701)
&rst
ixpk= 701, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1011,1012,
igr2=1342,1343,
&end
#
# 65 THR HN 65 THR QG2 3.85 (#peak 716)
&rst
ixpk= 716, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1024,1025,1026,
&end
#
# 65 THR HN 66 CYS HN 4.00 (#peak 1480)
&rst
ixpk= 1480, nxpk= 0, iat=1018,1032, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 65 THR HN 66 CYS HA 5.50 (#peak 1538)
&rst
ixpk= 1538, nxpk= 0, iat=1018,1034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 THR HN 82 ILE QG2 5.30 (#peak 1545)
&rst
ixpk= 1545, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1288,1289,1290,
&end
#
# 65 THR HN 86 LEU HG 5.00 (#peak 1546 )
&rst
ixpk= 1546, nxpk= 0, iat=1018,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 THR HA 65 THR QG2 2.94 (#peak 719)
&rst
ixpk= 719, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1024,1025,1026,
&end
#
# 65 THR HA 67 ASP HN 4.91 (#peak 703)
&rst
ixpk= 703, nxpk= 0, iat=1020,1043, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 65 THR HA 82 ILE QG2 3.60 (#peak 707)
&rst
ixpk= 707, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1288,1289,1290,
&end
#
# 65 THR HA 86 LEU HG 4.83 (#peak 708)
&rst
ixpk= 708, nxpk= 0, iat=1020,1345, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 65 THR HB 82 ILE QG2 4.82 (#peak 2128)
&rst
ixpk= 2128, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1288,1289,1290,
&end
#
# 65 THR HB 86 LEU HG 5.50 (#peak 963)
&rst
ixpk= 963, nxpk= 0, iat=1022,1345, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 THR QG2 66 CYS HN 4.38 (#peak 1487)
&rst
ixpk= 1487, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1024,1025,1026,
&end
#
# 65 THR QG2 67 ASP HN 4.04 (#peak 714)
&rst
ixpk= 714, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1024,1025,1026,
&end
#
# 65 THR QG2 79 ALA HA 5.12 (#peak 855)
&rst
ixpk= 855, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1024,1025,1026,
&end
#
# 65 THR QG2 82 ILE QD1 4.71 (#peak 2117)
&rst
ixpk= 2117, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1024,1025,1026,
igr2=1295,1296,1297,
&end
#
# 65 THR QG2 82 ILE QG2 3.10 (#peak 723)
&rst
ixpk= 723, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1024,1025,1026,
igr2=1288,1289,1290,
&end
#
# 65 THR QG2 83 ALA HN 3.95 (#peak 959)
&rst
ixpk= 959, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1024,1025,1026,
&end
#
# 65 THR QG2 83 ALA HA 3.71 (#peak 910)
&rst
ixpk= 910, nxpk= 0, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1024,1025,1026,
&end
#
# 65 THR QG2 83 ALA QB 3.19 (#peak 919)
&rst
ixpk= 919, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1024,1025,1026,
igr2=1305,1306,1307,
&end
#
# 65 THR QG2 86 LEU HG 3.10 (#peak 969)
&rst
ixpk= 969, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=1024,1025,1026,
&end
#
# 66 CYS HN 82 ILE QG2 5.38 (#peak 1488)
&rst
ixpk= 1488, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=1288,1289,1290,
&end
#
# 66 CYS HA 67 ASP HN 3.38 (#peak 1129)
&rst
ixpk= 1129, nxpk= 0, iat=1034,1043, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 66 CYS HA 68 PHE HN 3.95 (#peak 710)
&rst
ixpk= 710, nxpk= 0, iat=1034,1055, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 66 CYS HA 68 PHE HD 7.50 (#peak 711)
&rst
ixpk= 711, nxpk= 0, iat=1034, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2=1063,1071,
&end
#
# 66 CYS HA 69 LEU HN 5.03 (#peak 962)
&rst
ixpk= 962, nxpk= 0, iat=1034,1075, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 66 CYS QB 69 LEU QD1 5.00 (#peak 2924 )
&rst
ixpk= 2924, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1036,1037,
igr2=1084,1085,1086,
&end
#
# 67 ASP HN 67 ASP QB 3.69 (#peak 1131)
&rst
ixpk= 1131, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1047,1048,
&end
#
# 67 ASP HN 68 PHE HN 3.27 (#peak 1126)
&rst
ixpk= 1126, nxpk= 0, iat=1043,1055, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 67 ASP HN 68 PHE HD 6.30 (#peak 1127)
&rst
ixpk= 1127, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2=1063,1071,
&end
#
# 67 ASP HN 69 LEU HN 4.85 (#peak 1125)
&rst
ixpk= 1125, nxpk= 0, iat=1043,1075, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 67 ASP HA 69 LEU HN 4.58 (#peak 964)
&rst
ixpk= 964, nxpk= 0, iat=1045,1075, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 67 ASP HA 70 HIS HN 4.82 (#peak 1151)
&rst
ixpk= 1151, nxpk= 0, iat=1045,1094, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 67 ASP HB2 68 PHE HN 5.36 (#peak 1371)
&rst
ixpk= 1371, nxpk= 0, iat=1047,1055, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 67 ASP HB3 68 PHE HN 5.36 (#peak 1371)
&rst
ixpk= 1371, nxpk= 0, iat=1048,1055, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 68 PHE HN 68 PHE HB2 3.96 (#peak 1368)
&rst
ixpk= 1368, nxpk= 0, iat=1055,1059, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 68 PHE HN 68 PHE HB3 3.96 (#peak 1369)
&rst
ixpk= 1369, nxpk= 0, iat=1055,1060, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 68 PHE HN 68 PHE QB 3.36 (#peak 1369)
&rst
ixpk= 1369, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1059,1060,
&end
#
# 68 PHE HN 68 PHE HD 5.33 (#peak 1365)
&rst
ixpk= 1365, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1063,1071,
&end
#
# 68 PHE HN 69 LEU HN 3.55 (#peak 968)
&rst
ixpk= 968, nxpk= 0, iat=1055,1075, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 68 PHE HA 68 PHE HD 6.01 (#peak 725)
&rst
ixpk= 725, nxpk= 0, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2=1063,1071,
&end
#
# 68 PHE HA 70 HIS HN 4.36 (#peak 1148)
&rst
ixpk= 1148, nxpk= 0, iat=1057,1094, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 68 PHE QB 69 LEU QQD 5.28 (#peak 2925)
&rst
ixpk= 2925, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
igr1=1059,1060,
&end
#
# 68 PHE HD 69 LEU HN 6.87 (#peak 967)
&rst
ixpk= 967, nxpk= 0, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr1=1063,1071,
&end
#
# 69 LEU HN 69 LEU QQD 3.68 (#peak 956)
&rst
ixpk= 956, nxpk= 0, iat=1075,1081, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 69 LEU HN 70 HIS HN 3.14 (#peak 1141)
&rst
ixpk= 1141, nxpk= 0, iat=1075,1094, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 69 LEU HA 69 LEU QQD 4.15 (#peak 2923)
&rst
ixpk= 2923, nxpk= 0, iat=1077,1081, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, &end
#
# 69 LEU HB2 70 HIS HA 6.00 (#peak 1567 )
&rst
ixpk= 1567, nxpk= 0, iat=1079,1096, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 LEU QD1 74 THR QG2 6.00 (#peak 2929 )
&rst
ixpk= 2929, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1084,1085,1086,
igr2=1162,1163,1164,
&end
#
# 69 LEU QD1 98 PHE HB2 5.50 (#peak 2926 )
&rst
ixpk= 2926, nxpk= 0, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1084,1085,1086,
&end
#
# 69 LEU QD1 99 TYR HN 6.00 (#peak 1163 )
&rst
ixpk= 1163, nxpk= 0, iat= -1,1549, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1084,1085,1086,
&end
#
# 69 LEU QQD 98 PHE HB3 5.28 (#peak 1310)
&rst
ixpk= 1310, nxpk= 0, iat=1081,1534, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, &end
#
# 69 LEU QQD 98 PHE HD 5.91 (#peak 2921)
&rst
ixpk= 2921, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 8.83, r4= 9.33,
igr2=1537,1545,
&end
#
# 70 HIS HN 70 HIS HB2 3.60 (#peak 1149)
&rst
ixpk= 1149, nxpk= 0, iat=1094,1098, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 70 HIS HN 70 HIS HB3 3.60 (#peak 1150)
&rst
ixpk= 1150, nxpk= 0, iat=1094,1099, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 70 HIS HN 70 HIS QB 3.11 (#peak 1149)
&rst
ixpk= 1149, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1098,1099,
&end
#
# 70 HIS HN 71 GLY HN 4.89 (#peak 1520)
&rst
ixpk= 1520, nxpk= 0, iat=1094,1111, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 70 HIS HN 74 THR QG2 5.03 (#peak 1153)
&rst
ixpk= 1153, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1162,1163,1164,
&end
#
# 70 HIS HN 98 PHE HD 7.50 (#peak 1143)
&rst
ixpk= 1143, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2=1537,1545,
&end
#
# 70 HIS HN 99 TYR HD 6.72 (#peak 1142)
&rst
ixpk= 1142, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr2=1557,1566,
&end
#
# 70 HIS HA 71 GLY HN 3.32 (#peak 1515)
&rst
ixpk= 1515, nxpk= 0, iat=1096,1111, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 70 HIS HA 74 THR HB 5.29 (#peak 740)
&rst
ixpk= 740, nxpk= 0, iat=1096,1160, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 70 HIS HA 74 THR QG2 4.12 (#peak 2574)
&rst
ixpk= 2574, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1162,1163,1164,
&end
#
# 70 HIS HA 99 TYR HD 6.48 (#peak 737)
&rst
ixpk= 737, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1557,1566,
&end
#
# 70 HIS HB2 71 GLY HN 4.21 (#peak 1512)
&rst
ixpk= 1512, nxpk= 0, iat=1098,1111, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 70 HIS HB3 71 GLY HN 4.21 (#peak 1511)
&rst
ixpk= 1511, nxpk= 0, iat=1099,1111, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 70 HIS QB 71 GLY HN 3.65 (#peak 1511)
&rst
ixpk= 1511, nxpk= 0, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1098,1099,
&end
#
# 70 HIS QB 74 THR QG2 4.22 (#peak 2579)
&rst
ixpk= 2579, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1098,1099,
igr2=1162,1163,1164,
&end
#
# 71 GLY HN 74 THR HN 3.78 (#peak 897)
&rst
ixpk= 897, nxpk= 0, iat=1111,1156, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 71 GLY HN 74 THR HB 3.67 (#peak 1514)
&rst
ixpk= 1514, nxpk= 0, iat=1111,1160, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 71 GLY HN 74 THR QG2 4.03 (#peak 2568)
&rst
ixpk= 2568, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1162,1163,1164,
&end
#
# 71 GLY HN 99 TYR HB3 4.78 (#peak 1510)
&rst
ixpk= 1510, nxpk= 0, iat=1111,1554, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 71 GLY HN 99 TYR HD 6.10 (#peak 1519)
&rst
ixpk= 1519, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1557,1566,
&end
#
# 71 GLY QA 72 PRO HA 4.16 (#peak 762)
&rst
ixpk= 762, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1113,1114,
&end
#
# 72 PRO QD 73 ARG HN 4.56 (#peak 1434)
&rst
ixpk= 1434, nxpk= 0, iat= -1,1132, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1119,1120,
&end
#
# 72 PRO QD 99 TYR HB3 4.91 (#peak 2714)
&rst
ixpk= 2714, nxpk= 0, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1119,1120,
&end
#
# 73 ARG HN 74 THR HN 3.56 (#peak 895)
&rst
ixpk= 895, nxpk= 0, iat=1132,1156, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 73 ARG HN 99 TYR HD 7.37 (#peak 1430)
&rst
ixpk= 1430, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 8.27, r4= 8.77,
igr2=1557,1566,
&end
#
# 74 THR HN 74 THR HB 2.93 (#peak 1722)
&rst
ixpk= 1722, nxpk= 0, iat=1156,1160, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 74 THR HN 74 THR QG2 3.91 (#peak 2569)
&rst
ixpk= 2569, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1162,1163,1164,
&end
#
# 74 THR HN 75 GLN HN 4.69 (#peak 896)
&rst
ixpk= 896, nxpk= 0, iat=1156,1170, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 74 THR HN 99 TYR HD 7.50 (#peak 901)
&rst
ixpk= 901, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2=1557,1566,
&end
#
# 74 THR HA 74 THR QG2 3.23 (#peak 2576)
&rst
ixpk= 2576, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1162,1163,1164,
&end
#
# 74 THR HA 75 GLN HN 3.33 (#peak 18)
&rst
ixpk= 18, nxpk= 0, iat=1158,1170, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 74 THR HA 75 GLN QG 4.23 (#peak 2808)
&rst
ixpk= 2808, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1177,1178,
&end
#
# 74 THR HA 96 ILE QG2 5.50 (#peak 2846)
&rst
ixpk= 2846, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1506,1507,1508,
&end
#
# 74 THR HA 97 ALA HN 4.40 (#peak 74)
&rst
ixpk= 74, nxpk= 0, iat=1158,1519, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 74 THR HA 97 ALA QB 3.70 (#peak 1290)
&rst
ixpk= 1290, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1523,1524,1525,
&end
#
# 74 THR HB 75 GLN HN 3.83 (#peak 17)
&rst
ixpk= 17, nxpk= 0, iat=1160,1170, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 74 THR HB 97 ALA QB 4.68 (#peak 1289)
&rst
ixpk= 1289, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1523,1524,1525,
&end
#
# 74 THR QG2 107 LEU HG 6.00 (#peak 1422 )
&rst
ixpk= 1422, nxpk= 0, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1162,1163,1164,
&end
#
# 74 THR QG2 75 GLN HN 3.47 (#peak 26)
&rst
ixpk= 26, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1162,1163,1164,
&end
#
# 74 THR QG2 76 ARG HN 5.37 (#peak 177)
&rst
ixpk= 177, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1162,1163,1164,
&end
#
# 74 THR QG2 79 ALA QB 3.44 (#peak 866)
&rst
ixpk= 866, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1162,1163,1164,
igr2=1249,1250,1251,
&end
#
# 74 THR QG2 96 ILE HB 3.89 (#peak 1247)
&rst
ixpk= 1247, nxpk= 0, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1162,1163,1164,
&end
#
# 74 THR QG2 96 ILE QG2 3.02 (#peak 2580)
&rst
ixpk= 2580, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1162,1163,1164,
igr2=1506,1507,1508,
&end
#
# 74 THR QG2 98 PHE HD 6.52 (#peak 2572)
&rst
ixpk= 2572, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.79, r4= 9.29,
igr1=1162,1163,1164,
igr2=1537,1545,
&end
#
# 74 THR QG2 99 TYR HD 7.50 (#peak 2571 )
&rst
ixpk= 2571, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.11, r4=10.61,
igr1=1162,1163,1164,
igr2=1557,1566,
&end
#
# 75 GLN HN 75 GLN HB2 3.73 (#peak 23)
&rst
ixpk= 23, nxpk= 0, iat=1170,1174, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 75 GLN HN 75 GLN HB3 3.73 (#peak 1723)
&rst
ixpk= 1723, nxpk= 0, iat=1170,1175, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 75 GLN HN 75 GLN QB 3.25 (#peak 1723)
&rst
ixpk= 1723, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1174,1175,
&end
#
# 75 GLN HN 75 GLN QG 3.21 (#peak 22)
&rst
ixpk= 22, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1177,1178,
&end
#
# 75 GLN HN 76 ARG HN 4.71 (#peak 164)
&rst
ixpk= 164, nxpk= 0, iat=1170,1187, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 75 GLN HN 78 ALA HN 4.82 (#peak 19)
&rst
ixpk= 19, nxpk= 0, iat=1170,1235, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 75 GLN HN 78 ALA QB 3.95 (#peak 24)
&rst
ixpk= 24, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1239,1240,1241,
&end
#
# 75 GLN HN 96 ILE QG2 4.66 (#peak 2854)
&rst
ixpk= 2854, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1506,1507,1508,
&end
#
# 75 GLN HN 97 ALA HN 4.60 (#peak 79)
&rst
ixpk= 79, nxpk= 0, iat=1170,1519, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 75 GLN HN 97 ALA QB 4.19 (#peak 1278)
&rst
ixpk= 1278, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1523,1524,1525,
&end
#
# 75 GLN HA 75 GLN QG 3.23 (#peak 2807)
&rst
ixpk= 2807, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1177,1178,
&end
#
# 75 GLN HA 76 ARG HN 2.87 (#peak 166)
&rst
ixpk= 166, nxpk= 0, iat=1172,1187, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 75 GLN HA 76 ARG HA 4.53 (#peak 794)
&rst
ixpk= 794, nxpk= 0, iat=1172,1189, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 75 GLN HA 76 ARG QD 4.19 (#peak 777)
&rst
ixpk= 777, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1197,1198,
&end
#
# 75 GLN HA 76 ARG QG 3.74 (#peak 776)
&rst
ixpk= 776, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1194,1195,
&end
#
# 75 GLN HA 77 ARG HN 4.45 (#peak 1049)
&rst
ixpk= 1049, nxpk= 0, iat=1172,1211, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 75 GLN HA 78 ALA HN 4.95 (#peak 774)
&rst
ixpk= 774, nxpk= 0, iat=1172,1235, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 75 GLN HB2 76 ARG HN 4.02 (#peak 171)
&rst
ixpk= 171, nxpk= 0, iat=1174,1187, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 75 GLN HB2 78 ALA HN 3.52 (#peak 591)
&rst
ixpk= 591, nxpk= 0, iat=1174,1235, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 75 GLN HB2 78 ALA QB 4.02 (#peak 839)
&rst
ixpk= 839, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1239,1240,1241,
&end
#
# 75 GLN HB3 76 ARG HN 4.02 (#peak 172)
&rst
ixpk= 172, nxpk= 0, iat=1175,1187, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 75 GLN HB3 78 ALA HN 3.52 (#peak 592)
&rst
ixpk= 592, nxpk= 0, iat=1175,1235, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 75 GLN HB3 78 ALA QB 4.02 (#peak 840)
&rst
ixpk= 840, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1239,1240,1241,
&end
#
# 75 GLN HG2 78 ALA HN 5.50 (#peak 590)
&rst
ixpk= 590, nxpk= 0, iat=1177,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 GLN HG2 78 ALA QB 5.31 (#peak 2809)
&rst
ixpk= 2809, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1239,1240,1241,
&end
#
# 75 GLN HG3 78 ALA HN 5.50 (#peak 590)
&rst
ixpk= 590, nxpk= 0, iat=1178,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 GLN HG3 78 ALA QB 5.31 (#peak 2809)
&rst
ixpk= 2809, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1239,1240,1241,
&end
#
# 75 GLN QB 76 ARG HN 3.46 (#peak 171)
&rst
ixpk= 171, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1174,1175,
&end
#
# 75 GLN QB 77 ARG HN 3.98 (#peak 1055)
&rst
ixpk= 1055, nxpk= 0, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1174,1175,
&end
#
# 75 GLN QB 78 ALA QB 3.46 (#peak 840)
&rst
ixpk= 840, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1174,1175,
igr2=1239,1240,1241,
&end
#
# 75 GLN QG 76 ARG HN 5.50 (#peak 170 )
&rst
ixpk= 170, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1177,1178,
&end
#
# 75 GLN QG 77 ARG HN 5.07 (#peak 1054)
&rst
ixpk= 1054, nxpk= 0, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1177,1178,
&end
#
# 75 GLN QG 77 ARG QD 4.49 (#peak 2614)
&rst
ixpk= 2614, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1177,1178,
igr2=1221,1222,
&end
#
# 75 GLN QG 78 ALA QB 4.55 (#peak 2809)
&rst
ixpk= 2809, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1177,1178,
igr2=1239,1240,1241,
&end
#
# 76 ARG HN 76 ARG HB2 2.99 (#peak 173)
&rst
ixpk= 173, nxpk= 0, iat=1187,1191, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 76 ARG HN 76 ARG HG2 4.21 (#peak 174)
&rst
ixpk= 174, nxpk= 0, iat=1187,1194, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 76 ARG HN 76 ARG HG3 4.21 (#peak 2586)
&rst
ixpk= 2586, nxpk= 0, iat=1187,1195, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 76 ARG HN 76 ARG QD 4.29 (#peak 2598)
&rst
ixpk= 2598, nxpk= 0, iat=1187, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1197,1198,
&end
#
# 76 ARG HN 76 ARG QG 3.51 (#peak 174)
&rst
ixpk= 174, nxpk= 0, iat=1187, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1194,1195,
&end
#
# 76 ARG HN 77 ARG HA 5.31 (#peak 168)
&rst
ixpk= 168, nxpk= 0, iat=1187,1213, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 76 ARG HN 77 ARG HB3 5.00 (#peak 175 )
&rst
ixpk= 175, nxpk= 0, iat=1187,1216, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 76 ARG HN 78 ALA HN 4.45 (#peak 163)
&rst
ixpk= 163, nxpk= 0, iat=1187,1235, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 76 ARG HN 79 ALA HN 5.50 (#peak 165)
&rst
ixpk= 165, nxpk= 0, iat=1187,1245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ARG HA 76 ARG HD2 4.96 (#peak 795)
&rst
ixpk= 795, nxpk= 0, iat=1189,1197, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 76 ARG HA 76 ARG HD3 4.96 (#peak 795)
&rst
ixpk= 795, nxpk= 0, iat=1189,1198, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 76 ARG HA 76 ARG HG2 3.90 (#peak 2590)
&rst
ixpk= 2590, nxpk= 0, iat=1189,1194, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 76 ARG HA 76 ARG HG3 3.90 (#peak 799)
&rst
ixpk= 799, nxpk= 0, iat=1189,1195, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 76 ARG HA 76 ARG QD 4.34 (#peak 795)
&rst
ixpk= 795, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1197,1198,
&end
#
# 76 ARG HA 76 ARG QG 3.26 (#peak 799)
&rst
ixpk= 799, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1194,1195,
&end
#
# 76 ARG HA 78 ALA HN 4.66 (#peak 793)
&rst
ixpk= 793, nxpk= 0, iat=1189,1235, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 76 ARG HA 78 ALA QB 5.26 (#peak 798)
&rst
ixpk= 798, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1239,1240,1241,
&end
#
# 76 ARG HA 79 ALA HN 4.04 (#peak 742)
&rst
ixpk= 742, nxpk= 0, iat=1189,1245, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 76 ARG HA 79 ALA QB 3.45 (#peak 864)
&rst
ixpk= 864, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1249,1250,1251,
&end
#
# 76 ARG HA 80 ALA HN 4.78 (#peak 640)
&rst
ixpk= 640, nxpk= 0, iat=1189,1255, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 76 ARG HA 80 ALA QB 5.50 (#peak 798)
&rst
ixpk= 798, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1259,1260,1261,
&end
#
# 76 ARG HB2 77 ARG HN 2.96 (#peak 1058)
&rst
ixpk= 1058, nxpk= 0, iat=1191,1211, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 76 ARG HB2 79 ALA HN 5.50 (#peak 745)
&rst
ixpk= 745, nxpk= 0, iat=1191,1245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ARG HB2 80 ALA HN 5.50 (#peak 641)
&rst
ixpk= 641, nxpk= 0, iat=1191,1255, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ARG HB2 80 ALA QB 4.84 (#peak 882)
&rst
ixpk= 882, nxpk= 0, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1259,1260,1261,
&end
#
# 76 ARG QD 78 ALA HN 5.50 (#peak 2596 )
&rst
ixpk= 2596, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1197,1198,
&end
#
# 76 ARG QD 79 ALA QB 5.50 (#peak 2602 )
&rst
ixpk= 2602, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1197,1198,
igr2=1249,1250,1251,
&end
#
# 76 ARG QG 77 ARG HN 4.29 (#peak 1063)
&rst
ixpk= 1063, nxpk= 0, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1194,1195,
&end
#
# 77 ARG HN 77 ARG HD2 5.11 (#peak 1053)
&rst
ixpk= 1053, nxpk= 0, iat=1211,1221, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 77 ARG HN 77 ARG HD3 5.11 (#peak 1053)
&rst
ixpk= 1053, nxpk= 0, iat=1211,1222, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 77 ARG HN 77 ARG HG2 4.25 (#peak 1745)
&rst
ixpk= 1745, nxpk= 0, iat=1211,1218, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 77 ARG HN 77 ARG HG3 4.25 (#peak 1060)
&rst
ixpk= 1060, nxpk= 0, iat=1211,1219, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 77 ARG HN 77 ARG QB 3.15 (#peak 1059)
&rst
ixpk= 1059, nxpk= 0, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1215,1216,
&end
#
# 77 ARG HN 77 ARG QG 3.50 (#peak 1745)
&rst
ixpk= 1745, nxpk= 0, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1218,1219,
&end
#
# 77 ARG HN 78 ALA HN 3.56 (#peak 1048)
&rst
ixpk= 1048, nxpk= 0, iat=1211,1235, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 77 ARG HN 78 ALA QB 4.58 (#peak 834)
&rst
ixpk= 834, nxpk= 0, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1239,1240,1241,
&end
#
# 77 ARG HN 79 ALA HN 4.59 (#peak 1047)
&rst
ixpk= 1047, nxpk= 0, iat=1211,1245, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 77 ARG HN 79 ALA QB 5.50 (#peak 1062)
&rst
ixpk= 1062, nxpk= 0, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1249,1250,1251,
&end
#
# 77 ARG HN 80 ALA QB 5.26 (#peak 1061)
&rst
ixpk= 1061, nxpk= 0, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1259,1260,1261,
&end
#
# 77 ARG HA 77 ARG HD2 5.44 (#peak 806)
&rst
ixpk= 806, nxpk= 0, iat=1213,1221, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 77 ARG HA 77 ARG HD3 5.44 (#peak 2767)
&rst
ixpk= 2767, nxpk= 0, iat=1213,1222, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 77 ARG HA 77 ARG HG2 3.99 (#peak 811)
&rst
ixpk= 811, nxpk= 0, iat=1213,1218, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 77 ARG HA 77 ARG HG3 3.99 (#peak 2603)
&rst
ixpk= 2603, nxpk= 0, iat=1213,1219, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 77 ARG HA 77 ARG QD 4.66 (#peak 2767)
&rst
ixpk= 2767, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1221,1222,
&end
#
# 77 ARG HA 77 ARG QG 3.43 (#peak 811)
&rst
ixpk= 811, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=1218,1219,
&end
#
# 77 ARG HA 78 ALA QB 5.14 (#peak 837)
&rst
ixpk= 837, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1239,1240,1241,
&end
#
# 77 ARG HA 80 ALA HN 3.66 (#peak 638)
&rst
ixpk= 638, nxpk= 0, iat=1213,1255, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 77 ARG HA 80 ALA QB 2.96 (#peak 880)
&rst
ixpk= 880, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1259,1260,1261,
&end
#
# 77 ARG HA 81 GLN HN 4.62 (#peak 805)
&rst
ixpk= 805, nxpk= 0, iat=1213,1265, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 77 ARG HB2 78 ALA HN 4.01 (#peak 593)
&rst
ixpk= 593, nxpk= 0, iat=1215,1235, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 77 ARG HB2 80 ALA HN 5.50 (#peak 641)
&rst
ixpk= 641, nxpk= 0, iat=1215,1255, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ARG HB3 78 ALA HN 4.01 (#peak 594)
&rst
ixpk= 594, nxpk= 0, iat=1216,1235, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 77 ARG HB3 80 ALA HN 6.00 (#peak 642)
&rst
ixpk= 642, nxpk= 0, iat=1216,1255, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 77 ARG HG2 78 ALA HN 5.24 (#peak 2592)
&rst
ixpk= 2592, nxpk= 0, iat=1218,1235, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 77 ARG HG3 78 ALA HN 5.24 (#peak 2604)
&rst
ixpk= 2604, nxpk= 0, iat=1219,1235, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 77 ARG QB 77 ARG QD 3.27 (#peak 817)
&rst
ixpk= 817, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1215,1216,
igr2=1221,1222,
&end
#
# 77 ARG QB 78 ALA HN 3.46 (#peak 593)
&rst
ixpk= 593, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1215,1216,
&end
#
# 77 ARG QB 78 ALA HA 4.50 (#peak 2584)
&rst
ixpk= 2584, nxpk= 0, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1215,1216,
&end
#
# 77 ARG QB 79 ALA HN 5.34 (#peak 745)
&rst
ixpk= 745, nxpk= 0, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1215,1216,
&end
#
# 77 ARG QB 80 ALA QB 5.01 (#peak 882)
&rst
ixpk= 882, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=1215,1216,
igr2=1259,1260,1261,
&end
#
# 77 ARG QB 81 GLN HN 5.00 (#peak 2582)
&rst
ixpk= 2582, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1215,1216,
&end
#
# 77 ARG QD 78 ALA HN 4.53 (#peak 2773)
&rst
ixpk= 2773, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1221,1222,
&end
#
# 77 ARG QG 78 ALA HN 4.40 (#peak 2604)
&rst
ixpk= 2604, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1218,1219,
&end
#
# 78 ALA HN 78 ALA QB 2.72 (#peak 595)
&rst
ixpk= 595, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2=1239,1240,1241,
&end
#
# 78 ALA HN 79 ALA HN 2.94 (#peak 584)
&rst
ixpk= 584, nxpk= 0, iat=1235,1245, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 78 ALA HN 79 ALA QB 4.67 (#peak 77)
&rst
ixpk= 77, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1249,1250,1251,
&end
#
# 78 ALA HN 79 ALA QB 5.50 (#peak 596 )
&rst
ixpk= 596, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1249,1250,1251,
&end
#
# 78 ALA HN 80 ALA HN 4.03 (#peak 636)
&rst
ixpk= 636, nxpk= 0, iat=1235,1255, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 78 ALA HN 96 ILE QG2 4.78 (#peak 598)
&rst
ixpk= 598, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1506,1507,1508,
&end
#
# 78 ALA HA 79 ALA HA 5.13 (#peak 869)
&rst
ixpk= 869, nxpk= 0, iat=1237,1247, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 78 ALA HA 81 GLN QB 3.86 (#peak 828)
&rst
ixpk= 828, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1269,1270,
&end
#
# 78 ALA HA 82 ILE HN 5.12 (#peak 823)
&rst
ixpk= 823, nxpk= 0, iat=1237,1282, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 78 ALA HA 82 ILE QD1 5.09 (#peak 2111)
&rst
ixpk= 2111, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1295,1296,1297,
&end
#
# 78 ALA HA 94 VAL QQG 3.63 (#peak 1180)
&rst
ixpk= 1180, nxpk= 0, iat=1237,1472, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 78 ALA HA 95 GLU HG3 5.00 (#peak 827 )
&rst
ixpk= 827, nxpk= 0, iat=1237,1493, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 ALA QB 107 LEU QD1 5.28 (#peak 845)
&rst
ixpk= 845, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,
igr1=1239,1240,1241,
igr2=1686,1687,1688,
&end
#
# 78 ALA QB 107 LEU QD2 5.28 (#peak 845)
&rst
ixpk= 845, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,
igr1=1239,1240,1241,
igr2=1690,1691,1692,
&end
#
# 78 ALA QB 107 LEU QQD 4.58 (#peak 845)
&rst
ixpk= 845, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1=1239,1240,1241,
&end
#
# 78 ALA QB 79 ALA HN 2.94 (#peak 749)
&rst
ixpk= 749, nxpk= 0, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1239,1240,1241,
&end
#
# 78 ALA QB 79 ALA HA 4.03 (#peak 838)
&rst
ixpk= 838, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1239,1240,1241,
&end
#
# 78 ALA QB 80 ALA HN 4.62 (#peak 833)
&rst
ixpk= 833, nxpk= 0, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1239,1240,1241,
&end
#
# 78 ALA QB 82 ILE QD1 4.14 (#peak 2114)
&rst
ixpk= 2114, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1239,1240,1241,
igr2=1295,1296,1297,
&end
#
# 78 ALA QB 94 VAL QQG 4.47 (#peak 843)
&rst
ixpk= 843, nxpk= 0, iat= -1,1472, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1239,1240,1241,
&end
#
# 78 ALA QB 95 GLU HN 4.86 (#peak 833)
&rst
ixpk= 833, nxpk= 0, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1239,1240,1241,
&end
#
# 78 ALA QB 96 ILE HA 3.29 (#peak 836)
&rst
ixpk= 836, nxpk= 0, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=1239,1240,1241,
&end
#
# 78 ALA QB 96 ILE HB 4.10 (#peak 1249)
&rst
ixpk= 1249, nxpk= 0, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1239,1240,1241,
&end
#
# 78 ALA QB 96 ILE QD1 4.71 (#peak 1267)
&rst
ixpk= 1267, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1239,1240,1241,
igr2=1513,1514,1515,
&end
#
# 78 ALA QB 96 ILE QG2 3.17 (#peak 2856)
&rst
ixpk= 2856, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1239,1240,1241,
igr2=1506,1507,1508,
&end
#
# 78 ALA QB 97 ALA HN 3.85 (#peak 73)
&rst
ixpk= 73, nxpk= 0, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1239,1240,1241,
&end
#
# 79 ALA HN 79 ALA QB 2.69 (#peak 750)
&rst
ixpk= 750, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2=1249,1250,1251,
&end
#
# 79 ALA HN 80 ALA HN 3.09 (#peak 632)
&rst
ixpk= 632, nxpk= 0, iat=1245,1255, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 79 ALA HN 80 ALA QB 4.34 (#peak 876)
&rst
ixpk= 876, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1259,1260,1261,
&end
#
# 79 ALA HN 82 ILE HN 5.25 (#peak 1674)
&rst
ixpk= 1674, nxpk= 0, iat=1245,1282, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 79 ALA HN 82 ILE HB 5.50 (#peak 745)
&rst
ixpk= 745, nxpk= 0, iat=1245,1286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 ALA HN 96 ILE QG2 3.87 (#peak 759)
&rst
ixpk= 759, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1506,1507,1508,
&end
#
# 79 ALA HA 80 ALA HA 5.50 (#peak 869)
&rst
ixpk= 869, nxpk= 0, iat=1247,1257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 ALA HA 82 ILE HN 4.12 (#peak 694)
&rst
ixpk= 694, nxpk= 0, iat=1247,1282, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 79 ALA HA 82 ILE HA 5.50 (#peak 852)
&rst
ixpk= 852, nxpk= 0, iat=1247,1284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 ALA HA 82 ILE HB 3.92 (#peak 853)
&rst
ixpk= 853, nxpk= 0, iat=1247,1286, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 79 ALA HA 82 ILE QD1 3.72 (#peak 856)
&rst
ixpk= 856, nxpk= 0, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1295,1296,1297,
&end
#
# 79 ALA HA 82 ILE QG2 3.97 (#peak 859)
&rst
ixpk= 859, nxpk= 0, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1288,1289,1290,
&end
#
# 79 ALA HA 83 ALA HN 4.35 (#peak 850)
&rst
ixpk= 850, nxpk= 0, iat=1247,1301, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 79 ALA HA 96 ILE QG2 3.45 (#peak 2844)
&rst
ixpk= 2844, nxpk= 0, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1506,1507,1508,
&end
#
# 79 ALA QB 80 ALA HN 3.14 (#peak 644)
&rst
ixpk= 644, nxpk= 0, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1249,1250,1251,
&end
#
# 79 ALA QB 80 ALA HA 3.97 (#peak 871)
&rst
ixpk= 871, nxpk= 0, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1249,1250,1251,
&end
#
# 79 ALA QB 81 GLN HN 4.95 (#peak 1077)
&rst
ixpk= 1077, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1249,1250,1251,
&end
#
# 79 ALA QB 82 ILE HB 4.21 (#peak 865)
&rst
ixpk= 865, nxpk= 0, iat= -1,1286, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1249,1250,1251,
&end
#
# 79 ALA QB 82 ILE QD1 4.35 (#peak 2116)
&rst
ixpk= 2116, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1249,1250,1251,
igr2=1295,1296,1297,
&end
#
# 79 ALA QB 96 ILE QG2 3.34 (#peak 867)
&rst
ixpk= 867, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1249,1250,1251,
igr2=1506,1507,1508,
&end
#
# 80 ALA HN 80 ALA HA 2.89 (#peak 637)
&rst
ixpk= 637, nxpk= 0, iat=1255,1257, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 80 ALA HN 80 ALA QB 2.51 (#peak 643)
&rst
ixpk= 643, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2=1259,1260,1261,
&end
#
# 80 ALA HN 81 GLN HN 3.08 (#peak 1064)
&rst
ixpk= 1064, nxpk= 0, iat=1255,1265, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 80 ALA HN 82 ILE HN 4.24 (#peak 634)
&rst
ixpk= 634, nxpk= 0, iat=1255,1282, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 80 ALA HN 82 ILE HB 5.50 (#peak 641)
&rst
ixpk= 641, nxpk= 0, iat=1255,1286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ALA HN 83 ALA HN 5.14 (#peak 635)
&rst
ixpk= 635, nxpk= 0, iat=1255,1301, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 80 ALA HN 96 ILE QG2 5.48 (#peak 645)
&rst
ixpk= 645, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=1506,1507,1508,
&end
#
# 80 ALA HA 82 ILE HN 4.38 (#peak 692)
&rst
ixpk= 692, nxpk= 0, iat=1257,1282, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 80 ALA HA 83 ALA HN 3.71 (#peak 934)
&rst
ixpk= 934, nxpk= 0, iat=1257,1301, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 80 ALA HA 83 ALA QB 2.91 (#peak 917)
&rst
ixpk= 917, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1305,1306,1307,
&end
#
# 80 ALA HA 84 GLN HN 4.47 (#peak 1250)
&rst
ixpk= 1250, nxpk= 0, iat=1257,1311, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 80 ALA HA 84 GLN HE21 4.83 (#peak 822)
&rst
ixpk= 822, nxpk= 0, iat=1257,1323, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 80 ALA HA 84 GLN HE22 5.50 (#peak 820 )
&rst
ixpk= 820, nxpk= 0, iat=1257,1324, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ALA QB 81 GLN HN 3.05 (#peak 1076)
&rst
ixpk= 1076, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1259,1260,1261,
&end
#
# 80 ALA QB 81 GLN HA 4.13 (#peak 245)
&rst
ixpk= 245, nxpk= 0, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1259,1260,1261,
&end
#
# 80 ALA QB 82 ILE HN 4.65 (#peak 878)
&rst
ixpk= 878, nxpk= 0, iat= -1,1282, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1259,1260,1261,
&end
#
# 80 ALA QB 82 ILE QD1 6.00 (#peak 883 )
&rst
ixpk= 883, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1259,1260,1261,
igr2=1295,1296,1297,
&end
#
# 80 ALA QB 83 ALA HN 4.83 (#peak 960)
&rst
ixpk= 960, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1259,1260,1261,
&end
#
# 80 ALA QB 84 GLN HE21 4.47 (#peak 877)
&rst
ixpk= 877, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1259,1260,1261,
&end
#
# 80 ALA QB 84 GLN HG2 4.27 (#peak 881)
&rst
ixpk= 881, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1259,1260,1261,
&end
#
# 81 GLN HN 81 GLN HB2 3.71 (#peak 1072)
&rst
ixpk= 1072, nxpk= 0, iat=1265,1269, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 81 GLN HN 81 GLN HB3 3.71 (#peak 1724)
&rst
ixpk= 1724, nxpk= 0, iat=1265,1270, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 81 GLN HN 81 GLN QB 2.95 (#peak 1072)
&rst
ixpk= 1072, nxpk= 0, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2=1269,1270,
&end
#
# 81 GLN HN 82 ILE HN 3.20 (#peak 1067)
&rst
ixpk= 1067, nxpk= 0, iat=1265,1282, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 81 GLN HN 83 ALA HN 4.81 (#peak 1068)
&rst
ixpk= 1068, nxpk= 0, iat=1265,1301, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 81 GLN HN 84 GLN HG3 5.50 (#peak 1725 )
&rst
ixpk= 1725, nxpk= 0, iat=1265,1319, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 GLN HN 94 VAL QG1 4.87 (#peak 1078)
&rst
ixpk= 1078, nxpk= 0, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1475,1476,1477,
&end
#
# 81 GLN HN 94 VAL QG2 4.87 (#peak 1079)
&rst
ixpk= 1079, nxpk= 0, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1479,1480,1481,
&end
#
# 81 GLN HN 94 VAL QQG 4.28 (#peak 1078)
&rst
ixpk= 1078, nxpk= 0, iat=1265,1472, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, &end
#
# 81 GLN HA 82 ILE HA 5.50 (#peak 237)
&rst
ixpk= 237, nxpk= 0, iat=1267,1284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 GLN HA 84 GLN HN 4.06 (#peak 232)
&rst
ixpk= 232, nxpk= 0, iat=1267,1311, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 81 GLN HA 94 VAL QQG 4.35 (#peak 1178)
&rst
ixpk= 1178, nxpk= 0, iat=1267,1472, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, &end
#
# 81 GLN HB2 94 VAL QG1 5.38 (#peak 1194)
&rst
ixpk= 1194, nxpk= 0, iat=1269, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=1475,1476,1477,
&end
#
# 81 GLN HB2 94 VAL QG2 5.38 (#peak 1174)
&rst
ixpk= 1174, nxpk= 0, iat=1269, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=1479,1480,1481,
&end
#
# 81 GLN HB3 94 VAL QG1 5.38 (#peak 1195)
&rst
ixpk= 1195, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=1475,1476,1477,
&end
#
# 81 GLN HB3 94 VAL QG2 5.38 (#peak 1174)
&rst
ixpk= 1174, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=1479,1480,1481,
&end
#
# 81 GLN QB 81 GLN QE2 3.37 (#peak 1406)
&rst
ixpk= 1406, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1269,1270,
igr2=1277,1278,
&end
#
# 81 GLN QB 82 ILE HN 3.68 (#peak 696)
&rst
ixpk= 696, nxpk= 0, iat= -1,1282, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1269,1270,
&end
#
# 81 GLN QB 82 ILE HB 4.82 (#peak 888)
&rst
ixpk= 888, nxpk= 0, iat= -1,1286, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1269,1270,
&end
#
# 81 GLN QB 94 VAL QQG 3.05 (#peak 1174)
&rst
ixpk= 1174, nxpk= 0, iat= -1,1472, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1269,1270,
&end
#
# 82 ILE HN 82 ILE HB 2.94 (#peak 697)
&rst
ixpk= 697, nxpk= 0, iat=1282,1286, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 82 ILE HN 82 ILE QD1 3.82 (#peak 2106)
&rst
ixpk= 2106, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1295,1296,1297,
&end
#
# 82 ILE HN 82 ILE QG1 3.21 (#peak 698)
&rst
ixpk= 698, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1292,1293,
&end
#
# 82 ILE HN 82 ILE QG2 3.74 (#peak 2130)
&rst
ixpk= 2130, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1288,1289,1290,
&end
#
# 82 ILE HN 83 ALA HN 3.09 (#peak 933)
&rst
ixpk= 933, nxpk= 0, iat=1282,1301, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 82 ILE HN 83 ALA QB 4.35 (#peak 700)
&rst
ixpk= 700, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1305,1306,1307,
&end
#
# 82 ILE HN 84 GLN HN 4.31 (#peak 1247)
&rst
ixpk= 1247, nxpk= 0, iat=1282,1311, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 82 ILE HN 86 LEU HG 6.00 (#peak 703 )
&rst
ixpk= 703, nxpk= 0, iat=1282,1345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 ILE HN 94 VAL HB 5.46 (#peak 699)
&rst
ixpk= 699, nxpk= 0, iat=1282,1473, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 82 ILE HN 94 VAL QG1 4.09 (#peak 1190)
&rst
ixpk= 1190, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1475,1476,1477,
&end
#
# 82 ILE HN 94 VAL QG2 4.09 (#peak 1182)
&rst
ixpk= 1182, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1479,1480,1481,
&end
#
# 82 ILE HN 94 VAL QQG 3.49 (#peak 1190)
&rst
ixpk= 1190, nxpk= 0, iat=1282,1472, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 82 ILE HN 96 ILE QG2 5.25 (#peak 704)
&rst
ixpk= 704, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1506,1507,1508,
&end
#
# 82 ILE HA 82 ILE QD1 3.88 (#peak 2105)
&rst
ixpk= 2105, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1295,1296,1297,
&end
#
# 82 ILE HA 82 ILE QG2 3.21 (#peak 896)
&rst
ixpk= 896, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1288,1289,1290,
&end
#
# 82 ILE HA 85 ALA HN 3.80 (#peak 381)
&rst
ixpk= 381, nxpk= 0, iat=1284,1328, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 82 ILE HA 85 ALA HA 5.47 (#peak 936)
&rst
ixpk= 936, nxpk= 0, iat=1284,1330, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 82 ILE HA 85 ALA QB 3.38 (#peak 947)
&rst
ixpk= 947, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1332,1333,1334,
&end
#
# 82 ILE HA 94 VAL QG1 5.00 (#peak 1193)
&rst
ixpk= 1193, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1475,1476,1477,
&end
#
# 82 ILE HA 94 VAL QG2 4.77 (#peak 1176)
&rst
ixpk= 1176, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1479,1480,1481,
&end
#
# 82 ILE HA 94 VAL QQG 3.74 (#peak 1176)
&rst
ixpk= 1176, nxpk= 0, iat=1284,1472, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 82 ILE HB 82 ILE QD1 3.28 (#peak 2115)
&rst
ixpk= 2115, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1295,1296,1297,
&end
#
# 82 ILE HB 83 ALA HN 3.15 (#peak 937)
&rst
ixpk= 937, nxpk= 0, iat=1286,1301, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 82 ILE HB 83 ALA QB 4.30 (#peak 901)
&rst
ixpk= 901, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1305,1306,1307,
&end
#
# 82 ILE HB 86 LEU HG 5.50 (#peak 904 )
&rst
ixpk= 904, nxpk= 0, iat=1286,1345, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ILE HB 94 VAL QG2 5.50 (#peak 1172 )
&rst
ixpk= 1172, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1479,1480,1481,
&end
#
# 82 ILE QD1 112 VAL HN 5.48 (#peak 2619)
&rst
ixpk= 2619, nxpk= 0, iat= -1,1754, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1295,1296,1297,
&end
#
# 82 ILE QD1 83 ALA HN 4.55 (#peak 2107)
&rst
ixpk= 2107, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1295,1296,1297,
&end
#
# 82 ILE QD1 86 LEU HG 5.50 (#peak 2118 )
&rst
ixpk= 2118, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1295,1296,1297,
&end
#
# 82 ILE QD1 94 VAL HB 4.20 (#peak 2113)
&rst
ixpk= 2113, nxpk= 0, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1295,1296,1297,
&end
#
# 82 ILE QD1 95 GLU HN 5.06 (#peak 91)
&rst
ixpk= 91, nxpk= 0, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1295,1296,1297,
&end
#
# 82 ILE QD1 96 ILE HA 5.50 (#peak 2111)
&rst
ixpk= 2111, nxpk= 0, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1295,1296,1297,
&end
#
# 82 ILE QD1 96 ILE HB 4.25 (#peak 1248)
&rst
ixpk= 1248, nxpk= 0, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1295,1296,1297,
&end
#
# 82 ILE QD1 96 ILE QD1 3.52 (#peak 2618)
&rst
ixpk= 2618, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1295,1296,1297,
igr2=1513,1514,1515,
&end
#
# 82 ILE QD1 96 ILE QG2 2.98 (#peak 2119)
&rst
ixpk= 2119, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1295,1296,1297,
igr2=1506,1507,1508,
&end
#
# 82 ILE QD1 98 PHE HD 6.57 (#peak 2109)
&rst
ixpk= 2109, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.86, r4= 9.36,
igr1=1295,1296,1297,
igr2=1537,1545,
&end
#
# 82 ILE QG1 86 LEU HG 5.00 (#peak 2616 )
&rst
ixpk= 2616, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1292,1293,
&end
#
# 82 ILE QG1 94 VAL HB 4.56 (#peak 1161)
&rst
ixpk= 1161, nxpk= 0, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1292,1293,
&end
#
# 82 ILE QG1 94 VAL QG1 5.00 (#peak 1197 )
&rst
ixpk= 1197, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1292,1293,
igr2=1475,1476,1477,
&end
#
# 82 ILE QG1 94 VAL QQG 3.52 (#peak 1173)
&rst
ixpk= 1173, nxpk= 0, iat= -1,1472, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1292,1293,
&end
#
# 82 ILE QG2 112 VAL QQG 4.62 (#peak 2127)
&rst
ixpk= 2127, nxpk= 0, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1=1288,1289,1290,
&end
#
# 82 ILE QG2 82 ILE QG1 3.31 (#peak 2123)
&rst
ixpk= 2123, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1288,1289,1290,
igr2=1292,1293,
&end
#
# 82 ILE QG2 83 ALA HN 3.44 (#peak 941)
&rst
ixpk= 941, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1288,1289,1290,
&end
#
# 82 ILE QG2 83 ALA HA 4.07 (#peak 911)
&rst
ixpk= 911, nxpk= 0, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1288,1289,1290,
&end
#
# 82 ILE QG2 83 ALA QB 3.73 (#peak 923)
&rst
ixpk= 923, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1288,1289,1290,
igr2=1305,1306,1307,
&end
#
# 82 ILE QG2 84 GLN HN 4.64 (#peak 2131)
&rst
ixpk= 2131, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1288,1289,1290,
&end
#
# 82 ILE QG2 85 ALA HN 4.38 (#peak 374)
&rst
ixpk= 374, nxpk= 0, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1288,1289,1290,
&end
#
# 82 ILE QG2 85 ALA QB 4.30 (#peak 2125)
&rst
ixpk= 2125, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1288,1289,1290,
igr2=1332,1333,1334,
&end
#
# 82 ILE QG2 86 LEU HN 4.19 (#peak 1318)
&rst
ixpk= 1318, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1288,1289,1290,
&end
#
# 82 ILE QG2 86 LEU QD1 3.32 (#peak 976)
&rst
ixpk= 976, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1288,1289,1290,
igr2=1347,1348,1349,
&end
#
# 82 ILE QG2 86 LEU QD2 3.84 (#peak 2124)
&rst
ixpk= 2124, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1288,1289,1290,
igr2=1351,1352,1353,
&end
#
# 82 ILE QG2 96 ILE QG2 4.49 (#peak 2127)
&rst
ixpk= 2127, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1288,1289,1290,
igr2=1506,1507,1508,
&end
#
# 83 ALA HN 83 ALA QB 2.62 (#peak 938)
&rst
ixpk= 938, nxpk= 0, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2=1305,1306,1307,
&end
#
# 83 ALA HN 84 GLN HN 3.14 (#peak 931)
&rst
ixpk= 931, nxpk= 0, iat=1301,1311, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 83 ALA HN 85 ALA HN 4.26 (#peak 932)
&rst
ixpk= 932, nxpk= 0, iat=1301,1328, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 83 ALA HN 86 LEU HG 5.00 (#peak 942 )
&rst
ixpk= 942, nxpk= 0, iat=1301,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 ALA HA 86 LEU HN 4.32 (#peak 1313)
&rst
ixpk= 1313, nxpk= 0, iat=1303,1338, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 83 ALA HA 86 LEU HG 3.63 (#peak 960)
&rst
ixpk= 960, nxpk= 0, iat=1303,1345, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 83 ALA HA 86 LEU QD1 4.46 (#peak 912)
&rst
ixpk= 912, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1347,1348,1349,
&end
#
# 83 ALA QB 84 GLN HN 2.92 (#peak 1255)
&rst
ixpk= 1255, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1=1305,1306,1307,
&end
#
# 83 ALA QB 84 GLN HA 3.98 (#peak 927)
&rst
ixpk= 927, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1305,1306,1307,
&end
#
# 83 ALA QB 84 GLN HE21 3.29 (#peak 913)
&rst
ixpk= 913, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=1305,1306,1307,
&end
#
# 83 ALA QB 84 GLN HG2 5.02 (#peak 2634)
&rst
ixpk= 2634, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1305,1306,1307,
&end
#
# 83 ALA QB 84 GLN HG3 5.16 (#peak 2635)
&rst
ixpk= 2635, nxpk= 0, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1305,1306,1307,
&end
#
# 83 ALA QB 85 ALA HN 4.76 (#peak 915)
&rst
ixpk= 915, nxpk= 0, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1305,1306,1307,
&end
#
# 83 ALA QB 86 LEU HG 5.00 (#peak 920 )
&rst
ixpk= 920, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1305,1306,1307,
&end
#
# 83 ALA QB 87 LEU HN 5.40 (#peak 1220)
&rst
ixpk= 1220, nxpk= 0, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1305,1306,1307,
&end
#
# 83 ALA QB 87 LEU QD1 5.00 (#peak 922 )
&rst
ixpk= 922, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1305,1306,1307,
igr2=1366,1367,1368,
&end
#
# 84 GLN HN 84 GLN HB2 2.91 (#peak 1254)
&rst
ixpk= 1254, nxpk= 0, iat=1311,1315, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 84 GLN HN 84 GLN HB3 3.66 (#peak 1726)
&rst
ixpk= 1726, nxpk= 0, iat=1311,1316, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 84 GLN HN 84 GLN HE21 3.74 (#peak 1248)
&rst
ixpk= 1248, nxpk= 0, iat=1311,1323, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 84 GLN HN 84 GLN HG2 3.58 (#peak 1747)
&rst
ixpk= 1747, nxpk= 0, iat=1311,1318, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 84 GLN HN 84 GLN HG3 4.12 (#peak 1746)
&rst
ixpk= 1746, nxpk= 0, iat=1311,1319, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 84 GLN HN 85 ALA HN 3.00 (#peak 388)
&rst
ixpk= 388, nxpk= 0, iat=1311,1328, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 84 GLN HN 86 LEU HN 4.36 (#peak 1249)
&rst
ixpk= 1249, nxpk= 0, iat=1311,1338, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 84 GLN HN 87 LEU QQD 5.19 (#peak 1256)
&rst
ixpk= 1256, nxpk= 0, iat=1311,1363, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, &end
#
# 84 GLN HA 84 GLN HE22 4.75 (#peak 926)
&rst
ixpk= 926, nxpk= 0, iat=1313,1324, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 84 GLN HA 84 GLN HG2 3.53 (#peak 2626)
&rst
ixpk= 2626, nxpk= 0, iat=1313,1318, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 84 GLN HA 84 GLN HG3 3.73 (#peak 2627)
&rst
ixpk= 2627, nxpk= 0, iat=1313,1319, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 84 GLN HA 87 LEU HN 3.94 (#peak 1214)
&rst
ixpk= 1214, nxpk= 0, iat=1313,1357, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 84 GLN HA 87 LEU HG 4.12 (#peak 1025)
&rst
ixpk= 1025, nxpk= 0, iat=1313,1364, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 84 GLN HA 87 LEU QQD 3.36 (#peak 1006)
&rst
ixpk= 1006, nxpk= 0, iat=1313,1363, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 84 GLN HA 88 GLY HN 4.98 (#peak 1554)
&rst
ixpk= 1554, nxpk= 0, iat=1313,1376, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 84 GLN HB2 85 ALA HN 3.52 (#peak 378)
&rst
ixpk= 378, nxpk= 0, iat=1315,1328, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 84 GLN HB3 84 GLN HE21 5.00 (#peak 1607)
&rst
ixpk= 1607, nxpk= 0, iat=1316,1323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 GLN HB3 85 ALA HN 4.15 (#peak 379)
&rst
ixpk= 379, nxpk= 0, iat=1316,1328, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 84 GLN HB3 87 LEU QQD 4.01 (#peak 1022)
&rst
ixpk= 1022, nxpk= 0, iat=1316,1363, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, &end
#
# 84 GLN HB3 89 ALA HN 5.10 (#peak 914)
&rst
ixpk= 914, nxpk= 0, iat=1316,1383, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 84 GLN HE22 87 LEU QQD 4.20 (#peak 1004)
&rst
ixpk= 1004, nxpk= 0, iat=1324,1363, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 84 GLN HG2 84 GLN HE22 4.02 (#peak 2624)
&rst
ixpk= 2624, nxpk= 0, iat=1318,1324, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 84 GLN HG2 85 ALA HN 4.66 (#peak 380)
&rst
ixpk= 380, nxpk= 0, iat=1318,1328, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 84 GLN HG2 87 LEU QQD 4.93 (#peak 2632)
&rst
ixpk= 2632, nxpk= 0, iat=1318,1363, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, &end
#
# 84 GLN HG3 84 GLN HE21 3.51 (#peak 2622)
&rst
ixpk= 2622, nxpk= 0, iat=1319,1323, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 84 GLN HG3 87 LEU QQD 4.58 (#peak 1007)
&rst
ixpk= 1007, nxpk= 0, iat=1319,1363, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, &end
#
# 85 ALA HN 85 ALA QB 2.66 (#peak 377)
&rst
ixpk= 377, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2=1332,1333,1334,
&end
#
# 85 ALA HN 86 LEU HN 3.12 (#peak 384)
&rst
ixpk= 384, nxpk= 0, iat=1328,1338, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 85 ALA HN 86 LEU HG 4.34 (#peak 375)
&rst
ixpk= 375, nxpk= 0, iat=1328,1345, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 85 ALA HN 86 LEU QD2 4.29 (#peak 376)
&rst
ixpk= 376, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1351,1352,1353,
&end
#
# 85 ALA HN 87 LEU HN 4.53 (#peak 385)
&rst
ixpk= 385, nxpk= 0, iat=1328,1357, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 85 ALA HN 88 GLY HN 5.50 (#peak 1550)
&rst
ixpk= 1550, nxpk= 0, iat=1328,1376, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 ALA HA 86 LEU QD2 4.35 (#peak 935)
&rst
ixpk= 935, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1351,1352,1353,
&end
#
# 85 ALA HA 87 LEU HN 4.72 (#peak 1215)
&rst
ixpk= 1215, nxpk= 0, iat=1330,1357, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 85 ALA HA 88 GLY HN 4.32 (#peak 1553)
&rst
ixpk= 1553, nxpk= 0, iat=1330,1376, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 85 ALA HA 89 ALA HN 4.20 (#peak 903)
&rst
ixpk= 903, nxpk= 0, iat=1330,1383, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 85 ALA QB 86 LEU HN 3.28 (#peak 1316)
&rst
ixpk= 1316, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1332,1333,1334,
&end
#
# 85 ALA QB 87 LEU HN 4.93 (#peak 943)
&rst
ixpk= 943, nxpk= 0, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1332,1333,1334,
&end
#
# 85 ALA QB 88 GLY HN 5.26 (#peak 1560)
&rst
ixpk= 1560, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1332,1333,1334,
&end
#
# 85 ALA QB 89 ALA HN 5.48 (#peak 1611)
&rst
ixpk= 1611, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1332,1333,1334,
&end
#
# 85 ALA QB 90 GLU HN 4.85 (#peak 1122)
&rst
ixpk= 1122, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1332,1333,1334,
&end
#
# 85 ALA QB 92 ARG HN 3.79 (#peak 945)
&rst
ixpk= 945, nxpk= 0, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1332,1333,1334,
&end
#
# 85 ALA QB 94 VAL QG2 5.00 (#peak 949 )
&rst
ixpk= 949, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1332,1333,1334,
igr2=1479,1480,1481,
&end
#
# 85 ALA QB 94 VAL QQG 3.82 (#peak 1171)
&rst
ixpk= 1171, nxpk= 0, iat= -1,1472, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1332,1333,1334,
&end
#
# 86 LEU HN 86 LEU HG 3.43 (#peak 1319)
&rst
ixpk= 1319, nxpk= 0, iat=1338,1345, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 86 LEU HN 86 LEU QD1 4.26 (#peak 1320)
&rst
ixpk= 1320, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1347,1348,1349,
&end
#
# 86 LEU HN 86 LEU QD2 2.94 (#peak 1315)
&rst
ixpk= 1315, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1351,1352,1353,
&end
#
# 86 LEU HN 87 LEU HN 3.36 (#peak 1212)
&rst
ixpk= 1212, nxpk= 0, iat=1338,1357, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 86 LEU HN 87 LEU QD1 6.00 (#peak 1317)
&rst
ixpk= 1317, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1366,1367,1368,
&end
#
# 86 LEU HN 87 LEU QD2 6.00 (#peak 1317)
&rst
ixpk= 1317, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1370,1371,1372,
&end
#
# 86 LEU HN 88 GLY HN 4.36 (#peak 1309)
&rst
ixpk= 1309, nxpk= 0, iat=1338,1376, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 86 LEU HA 127 LEU QD1 6.00 (#peak 958 )
&rst
ixpk= 958, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1996,1997,1998,
&end
#
# 86 LEU HA 86 LEU HG 4.17 (#peak 956)
&rst
ixpk= 956, nxpk= 0, iat=1340,1345, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 86 LEU HA 86 LEU QD1 3.92 (#peak 971)
&rst
ixpk= 971, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1347,1348,1349,
&end
#
# 86 LEU HA 86 LEU QD2 3.77 (#peak 954)
&rst
ixpk= 954, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1351,1352,1353,
&end
#
# 86 LEU HA 88 GLY HN 4.11 (#peak 950)
&rst
ixpk= 950, nxpk= 0, iat=1340,1376, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 86 LEU HB2 86 LEU QD1 4.08 (#peak 975)
&rst
ixpk= 975, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1347,1348,1349,
&end
#
# 86 LEU HB3 86 LEU QD1 4.08 (#peak 975)
&rst
ixpk= 975, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1347,1348,1349,
&end
#
# 86 LEU HG 87 LEU HN 4.37 (#peak 1223)
&rst
ixpk= 1223, nxpk= 0, iat=1345,1357, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 86 LEU QD1 125 PHE HB3 5.50 (#peak 973)
&rst
ixpk= 973, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1347,1348,1349,
&end
#
# 86 LEU QD1 125 PHE HD 6.78 (#peak 978)
&rst
ixpk= 978, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1=1347,1348,1349,
igr2=1956,1964,
&end
#
# 86 LEU QD1 87 LEU HN 5.05 (#peak 1727)
&rst
ixpk= 1727, nxpk= 0, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1347,1348,1349,
&end
#
# 86 LEU QD2 112 VAL QQG 4.16 (#peak 1493)
&rst
ixpk= 1493, nxpk= 0, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1351,1352,1353,
&end
#
# 86 LEU QD2 87 LEU HN 4.50 (#peak 1219)
&rst
ixpk= 1219, nxpk= 0, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1351,1352,1353,
&end
#
# 86 LEU QD2 88 GLY HN 5.25 (#peak 1559)
&rst
ixpk= 1559, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1351,1352,1353,
&end
#
# 86 LEU QD2 88 GLY HN 6.00 (#peak 981 )
&rst
ixpk= 981, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1351,1352,1353,
&end
#
# 87 LEU HN 87 LEU HB2 3.96 (#peak 1217)
&rst
ixpk= 1217, nxpk= 0, iat=1357,1361, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 87 LEU HN 87 LEU HB3 3.96 (#peak 1218)
&rst
ixpk= 1218, nxpk= 0, iat=1357,1362, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 87 LEU HN 87 LEU HG 4.22 (#peak 1218)
&rst
ixpk= 1218, nxpk= 0, iat=1357,1364, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 87 LEU HN 87 LEU QB 3.11 (#peak 1217)
&rst
ixpk= 1217, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1361,1362,
&end
#
# 87 LEU HN 87 LEU QD1 4.06 (#peak 1222)
&rst
ixpk= 1222, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1366,1367,1368,
&end
#
# 87 LEU HN 87 LEU QD2 4.06 (#peak 1014)
&rst
ixpk= 1014, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1370,1371,1372,
&end
#
# 87 LEU HN 87 LEU QQD 3.54 (#peak 1014)
&rst
ixpk= 1014, nxpk= 0, iat=1357,1363, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 87 LEU HN 88 GLY HN 3.00 (#peak 1547)
&rst
ixpk= 1547, nxpk= 0, iat=1357,1376, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 87 LEU HA 87 LEU HG 3.89 (#peak 1024)
&rst
ixpk= 1024, nxpk= 0, iat=1359,1364, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 87 LEU HA 87 LEU QD1 4.15 (#peak 1005)
&rst
ixpk= 1005, nxpk= 0, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1366,1367,1368,
&end
#
# 87 LEU HA 87 LEU QD2 4.15 (#peak 995)
&rst
ixpk= 995, nxpk= 0, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1370,1371,1372,
&end
#
# 87 LEU HA 87 LEU QD2 5.00 (#peak 1016 )
&rst
ixpk= 1016, nxpk= 0, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1370,1371,1372,
&end
#
# 87 LEU HA 87 LEU QQD 3.48 (#peak 995)
&rst
ixpk= 995, nxpk= 0, iat=1359,1363, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 87 LEU HB2 88 GLY HN 4.43 (#peak 1557)
&rst
ixpk= 1557, nxpk= 0, iat=1361,1376, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 87 LEU HB3 88 GLY HN 4.43 (#peak 1558)
&rst
ixpk= 1558, nxpk= 0, iat=1362,1376, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 87 LEU HG 88 GLY HN 4.69 (#peak 1558)
&rst
ixpk= 1558, nxpk= 0, iat=1364,1376, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 87 LEU HG 89 ALA HN 4.43 (#peak 916)
&rst
ixpk= 916, nxpk= 0, iat=1364,1383, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 87 LEU QB 87 LEU QQD 2.71 (#peak 1018)
&rst
ixpk= 1018, nxpk= 0, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1361,1362,
&end
#
# 87 LEU QB 89 ALA HN 4.09 (#peak 916)
&rst
ixpk= 916, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1361,1362,
&end
#
# 87 LEU QQD 88 GLY HN 3.98 (#peak 1563)
&rst
ixpk= 1563, nxpk= 0, iat=1363,1376, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, &end
#
# 87 LEU QQD 89 ALA HN 3.29 (#peak 918)
&rst
ixpk= 918, nxpk= 0, iat=1363,1383, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 87 LEU QQD 89 ALA HA 3.40 (#peak 64)
&rst
ixpk= 64, nxpk= 0, iat=1363,1385, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 87 LEU QQD 89 ALA QB 2.91 (#peak 1034)
&rst
ixpk= 1034, nxpk= 0, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1387,1388,1389,
&end
#
# 87 LEU QQD 90 GLU HN 4.59 (#peak 1124)
&rst
ixpk= 1124, nxpk= 0, iat=1363,1393, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, &end
#
# 88 GLY HN 89 ALA HN 4.04 (#peak 1612)
&rst
ixpk= 1612, nxpk= 0, iat=1376,1383, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 88 GLY HN 89 ALA QB 4.73 (#peak 1562)
&rst
ixpk= 1562, nxpk= 0, iat=1376, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1387,1388,1389,
&end
#
# 88 GLY HN 90 GLU HN 4.67 (#peak 1114)
&rst
ixpk= 1114, nxpk= 0, iat=1376,1393, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 88 GLY QA 89 ALA QB 4.67 (#peak 1037)
&rst
ixpk= 1037, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1378,1379,
igr2=1387,1388,1389,
&end
#
# 89 ALA HN 89 ALA QB 2.97 (#peak 1610)
&rst
ixpk= 1610, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1387,1388,1389,
&end
#
# 89 ALA HN 90 GLU HN 3.23 (#peak 1113)
&rst
ixpk= 1113, nxpk= 0, iat=1383,1393, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 89 ALA HN 90 GLU QG 4.90 (#peak 1609)
&rst
ixpk= 1609, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1400,1401,
&end
#
# 89 ALA QB 90 GLU HN 3.45 (#peak 1123)
&rst
ixpk= 1123, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1387,1388,1389,
&end
#
# 89 ALA QB 90 GLU QG 4.45 (#peak 1042)
&rst
ixpk= 1042, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1387,1388,1389,
igr2=1400,1401,
&end
#
# 90 GLU HN 90 GLU HB2 4.00 (#peak 1118)
&rst
ixpk= 1118, nxpk= 0, iat=1393,1397, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 90 GLU HN 90 GLU HB3 4.00 (#peak 1120)
&rst
ixpk= 1120, nxpk= 0, iat=1393,1398, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 90 GLU HN 90 GLU QB 3.47 (#peak 1120)
&rst
ixpk= 1120, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1397,1398,
&end
#
# 90 GLU HN 90 GLU QG 3.61 (#peak 1117)
&rst
ixpk= 1117, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1400,1401,
&end
#
# 90 GLU HN 91 GLU HN 4.55 (#peak 365)
&rst
ixpk= 365, nxpk= 0, iat=1393,1408, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 90 GLU HA 90 GLU QG 3.73 (#peak 1059)
&rst
ixpk= 1059, nxpk= 0, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1400,1401,
&end
#
# 90 GLU HG2 91 GLU HN 5.39 (#peak 1058)
&rst
ixpk= 1058, nxpk= 0, iat=1400,1408, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 90 GLU HG3 91 GLU HN 5.39 (#peak 370)
&rst
ixpk= 370, nxpk= 0, iat=1401,1408, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 90 GLU QB 90 GLU QG 2.25 (#peak 1061)
&rst
ixpk= 1061, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,
igr1=1397,1398,
igr2=1400,1401,
&end
#
# 90 GLU QB 91 GLU HN 2.92 (#peak 371)
&rst
ixpk= 371, nxpk= 0, iat= -1,1408, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1=1397,1398,
&end
#
# 90 GLU QG 91 GLU HN 4.57 (#peak 370)
&rst
ixpk= 370, nxpk= 0, iat= -1,1408, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1400,1401,
&end
#
# 91 GLU HN 91 GLU HG2 5.18 (#peak 369)
&rst
ixpk= 369, nxpk= 0, iat=1408,1415, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 91 GLU HN 91 GLU HG3 5.18 (#peak 370)
&rst
ixpk= 370, nxpk= 0, iat=1408,1416, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 91 GLU HN 91 GLU QB 3.58 (#peak 372)
&rst
ixpk= 372, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1412,1413,
&end
#
# 91 GLU HN 91 GLU QG 4.33 (#peak 369)
&rst
ixpk= 369, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1415,1416,
&end
#
# 91 GLU HN 92 ARG HN 4.40 (#peak 364)
&rst
ixpk= 364, nxpk= 0, iat=1408,1423, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 91 GLU HA 114 PRO HD3 5.50 (#peak 1066 )
&rst
ixpk= 1066, nxpk= 0, iat=1410,1788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 GLU HA 114 PRO QD 5.35 (#peak 2707)
&rst
ixpk= 2707, nxpk= 0, iat=1410, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=1787,1788,
&end
#
# 91 GLU HA 127 LEU QD1 5.50 (#peak 1070 )
&rst
ixpk= 1070, nxpk= 0, iat=1410, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1996,1997,1998,
&end
#
# 91 GLU HA 91 GLU HG2 4.16 (#peak 1073)
&rst
ixpk= 1073, nxpk= 0, iat=1410,1415, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 91 GLU HA 91 GLU HG3 4.16 (#peak 1069)
&rst
ixpk= 1069, nxpk= 0, iat=1410,1416, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 91 GLU HA 91 GLU QG 3.65 (#peak 1073)
&rst
ixpk= 1073, nxpk= 0, iat=1410, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1415,1416,
&end
#
# 91 GLU HA 92 ARG HN 3.23 (#peak 212)
&rst
ixpk= 212, nxpk= 0, iat=1410,1423, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 91 GLU HA 92 ARG QB 4.65 (#peak 1068)
&rst
ixpk= 1068, nxpk= 0, iat=1410, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1427,1428,
&end
#
# 91 GLU HB2 114 PRO HD2 5.50 (#peak 2706 )
&rst
ixpk= 2706, nxpk= 0, iat=1412,1787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 GLU HB2 114 PRO HD3 5.50 (#peak 2705 )
&rst
ixpk= 2705, nxpk= 0, iat=1412,1788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 GLU HG2 127 LEU QD1 5.50 (#peak 1082 )
&rst
ixpk= 1082, nxpk= 0, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1996,1997,1998,
&end
#
# 91 GLU HG3 127 LEU QD1 6.00 (#peak 1083 )
&rst
ixpk= 1083, nxpk= 0, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1996,1997,1998,
&end
#
# 91 GLU QB 92 ARG HN 4.27 (#peak 216)
&rst
ixpk= 216, nxpk= 0, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1412,1413,
&end
#
# 91 GLU QG 92 ARG HN 3.72 (#peak 217)
&rst
ixpk= 217, nxpk= 0, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1415,1416,
&end
#
# 92 ARG HN 114 PRO HG3 4.71 (#peak 220)
&rst
ixpk= 220, nxpk= 0, iat=1423,1791, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 92 ARG HN 114 PRO QD 4.52 (#peak 213)
&rst
ixpk= 213, nxpk= 0, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1787,1788,
&end
#
# 92 ARG HN 122 VAL QQG 6.00 (#peak 224)
&rst
ixpk= 224, nxpk= 0, iat=1423,1899, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 92 ARG HN 127 LEU QD1 6.00 (#peak 222 )
&rst
ixpk= 222, nxpk= 0, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1996,1997,1998,
&end
#
# 92 ARG HN 92 ARG HB2 3.62 (#peak 218)
&rst
ixpk= 218, nxpk= 0, iat=1423,1427, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 92 ARG HN 92 ARG HB3 3.62 (#peak 219)
&rst
ixpk= 219, nxpk= 0, iat=1423,1428, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 92 ARG HN 92 ARG QB 3.13 (#peak 218)
&rst
ixpk= 218, nxpk= 0, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=1427,1428,
&end
#
# 92 ARG HN 94 VAL QQG 5.01 (#peak 223)
&rst
ixpk= 223, nxpk= 0, iat=1423,1472, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, &end
#
# 92 ARG HA 92 ARG HD2 5.00 (#peak 2757)
&rst
ixpk= 2757, nxpk= 0, iat=1425,1433, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 92 ARG HA 92 ARG HD3 4.16 (#peak 2764)
&rst
ixpk= 2764, nxpk= 0, iat=1425,1434, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 92 ARG HA 92 ARG QD 3.56 (#peak 2757)
&rst
ixpk= 2757, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1433,1434,
&end
#
# 92 ARG HA 93 LYS QE 6.00 (#peak 1086 )
&rst
ixpk= 1086, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1460,1461,
&end
#
# 92 ARG HD2 93 LYS HN 4.23 (#peak 603)
&rst
ixpk= 603, nxpk= 0, iat=1433,1447, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 92 ARG HD3 93 LYS HN 4.23 (#peak 604)
&rst
ixpk= 604, nxpk= 0, iat=1434,1447, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 92 ARG HG2 92 ARG HE 3.93 (#peak 1681)
&rst
ixpk= 1681, nxpk= 0, iat=1430,1436, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 92 ARG HG3 92 ARG HE 3.93 (#peak 1681)
&rst
ixpk= 1681, nxpk= 0, iat=1431,1436, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 92 ARG QB 92 ARG QD 3.19 (#peak 2761)
&rst
ixpk= 2761, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=1427,1428,
igr2=1433,1434,
&end
#
# 92 ARG QD 93 LYS HN 3.66 (#peak 603)
&rst
ixpk= 603, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1433,1434,
&end
#
# 92 ARG QG 92 ARG HE 3.39 (#peak 1681)
&rst
ixpk= 1681, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=1430,1431,
&end
#
# 92 ARG QG 93 LYS HN 2.85 (#peak 605)
&rst
ixpk= 605, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr1=1430,1431,
&end
#
# 93 LYS HN 113 VAL HA 4.93 (#peak 602)
&rst
ixpk= 602, nxpk= 0, iat=1447,1772, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 93 LYS HN 93 LYS QB 3.19 (#peak 1729)
&rst
ixpk= 1729, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1451,1452,
&end
#
# 93 LYS HN 93 LYS QD 5.00 (#peak 1729)
&rst
ixpk= 1729, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1457,1458,
&end
#
# 93 LYS HN 93 LYS QG 5.00 (#peak 644)
&rst
ixpk= 644, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1454,1455,
&end
#
# 93 LYS HN 94 VAL HN 4.79 (#peak 599)
&rst
ixpk= 599, nxpk= 0, iat=1447,1469, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 93 LYS HN 94 VAL QQG 4.48 (#peak 609)
&rst
ixpk= 609, nxpk= 0, iat=1447,1472, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, &end
#
# 93 LYS HA 113 VAL HA 3.68 (#peak 1109)
&rst
ixpk= 1109, nxpk= 0, iat=1449,1772, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 93 LYS HA 127 LEU QQD 5.00 (#peak 1113)
&rst
ixpk= 1113, nxpk= 0, iat=1449,1993, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 93 LYS HA 93 LYS QD 4.14 (#peak 1129)
&rst
ixpk= 1129, nxpk= 0, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1457,1458,
&end
#
# 93 LYS HA 93 LYS QE 5.07 (#peak 1144)
&rst
ixpk= 1144, nxpk= 0, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1460,1461,
&end
#
# 93 LYS HA 93 LYS QG 3.72 (#peak 1111)
&rst
ixpk= 1111, nxpk= 0, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1454,1455,
&end
#
# 93 LYS HA 94 VAL HN 2.86 (#peak 257)
&rst
ixpk= 257, nxpk= 0, iat=1449,1469, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 93 LYS HA 94 VAL HB 5.50 (#peak 1165)
&rst
ixpk= 1165, nxpk= 0, iat=1449,1473, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LYS HA 94 VAL QQG 4.15 (#peak 1181)
&rst
ixpk= 1181, nxpk= 0, iat=1449,1472, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, &end
#
# 93 LYS HG2 113 VAL HA 5.50 (#peak 1119)
&rst
ixpk= 1119, nxpk= 0, iat=1454,1772, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LYS HG2 95 GLU HA 6.00 (#peak 1209 )
&rst
ixpk= 1209, nxpk= 0, iat=1454,1487, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 93 LYS HG3 113 VAL HA 5.50 (#peak 1529)
&rst
ixpk= 1529, nxpk= 0, iat=1455,1772, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LYS QB 112 VAL HN 4.21 (#peak 43)
&rst
ixpk= 43, nxpk= 0, iat= -1,1754, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1451,1452,
&end
#
# 93 LYS QB 113 VAL HA 3.87 (#peak 1528)
&rst
ixpk= 1528, nxpk= 0, iat= -1,1772, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1451,1452,
&end
#
# 93 LYS QB 93 LYS QE 2.98 (#peak 1146)
&rst
ixpk= 1146, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1451,1452,
igr2=1460,1461,
&end
#
# 93 LYS QB 94 VAL HN 5.00 (#peak 253)
&rst
ixpk= 253, nxpk= 0, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1451,1452,
&end
#
# 93 LYS QD 95 GLU HA 6.00 (#peak 1132 )
&rst
ixpk= 1132, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1457,1458,
&end
#
# 93 LYS QD 95 GLU HA 6.00 (#peak 1132 )
&rst
ixpk= 1132, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1457,1458,
&end
#
# 93 LYS QE 112 VAL QG2 5.50 (#peak 1151 )
&rst
ixpk= 1151, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1460,1461,
igr2=1764,1765,1766,
&end
#
# 93 LYS QE 113 VAL HA 5.50 (#peak 1143)
&rst
ixpk= 1143, nxpk= 0, iat= -1,1772, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1460,1461,
&end
#
# 93 LYS QG 113 VAL HA 4.68 (#peak 1529)
&rst
ixpk= 1529, nxpk= 0, iat= -1,1772, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1454,1455,
&end
#
# 93 LYS QG 93 LYS QE 2.98 (#peak 1148)
&rst
ixpk= 1148, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1454,1455,
igr2=1460,1461,
&end
#
# 93 LYS QG 94 VAL HN 4.11 (#peak 251)
&rst
ixpk= 251, nxpk= 0, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1454,1455,
&end
#
# 94 VAL HN 112 VAL HN 4.02 (#peak 261)
&rst
ixpk= 261, nxpk= 0, iat=1469,1754, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 94 VAL HN 112 VAL HB 3.75 (#peak 254)
&rst
ixpk= 254, nxpk= 0, iat=1469,1758, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 94 VAL HN 112 VAL QG1 4.35 (#peak 246)
&rst
ixpk= 246, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1760,1761,1762,
&end
#
# 94 VAL HN 112 VAL QG2 4.35 (#peak 249)
&rst
ixpk= 249, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1764,1765,1766,
&end
#
# 94 VAL HN 112 VAL QQG 3.43 (#peak 249)
&rst
ixpk= 249, nxpk= 0, iat=1469,1757, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 94 VAL HN 113 VAL HA 5.50 (#peak 256)
&rst
ixpk= 256, nxpk= 0, iat=1469,1772, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 VAL HN 94 VAL HB 4.11 (#peak 1167)
&rst
ixpk= 1167, nxpk= 0, iat=1469,1473, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 94 VAL HN 94 VAL QG1 4.06 (#peak 248)
&rst
ixpk= 248, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1475,1476,1477,
&end
#
# 94 VAL HN 94 VAL QG2 4.06 (#peak 250)
&rst
ixpk= 250, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1479,1480,1481,
&end
#
# 94 VAL HN 94 VAL QQG 3.16 (#peak 250)
&rst
ixpk= 250, nxpk= 0, iat=1469,1472, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 94 VAL HN 95 GLU HN 4.52 (#peak 258)
&rst
ixpk= 258, nxpk= 0, iat=1469,1485, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 94 VAL HN 96 ILE QD1 5.50 (#peak 247)
&rst
ixpk= 247, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1513,1514,1515,
&end
#
# 94 VAL HA 94 VAL QG1 3.51 (#peak 1158)
&rst
ixpk= 1158, nxpk= 0, iat=1471, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1475,1476,1477,
&end
#
# 94 VAL HA 94 VAL QG2 3.51 (#peak 1179)
&rst
ixpk= 1179, nxpk= 0, iat=1471, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1479,1480,1481,
&end
#
# 94 VAL HA 94 VAL QQG 2.96 (#peak 1179)
&rst
ixpk= 1179, nxpk= 0, iat=1471,1472, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 94 VAL HA 95 GLU HN 2.72 (#peak 84)
&rst
ixpk= 84, nxpk= 0, iat=1471,1485, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 94 VAL HA 95 GLU HA 4.89 (#peak 1211)
&rst
ixpk= 1211, nxpk= 0, iat=1471,1487, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 94 VAL HA 95 GLU QB 4.25 (#peak 1214)
&rst
ixpk= 1214, nxpk= 0, iat=1471, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1489,1490,
&end
#
# 94 VAL HB 112 VAL HN 6.00 (#peak 1168 )
&rst
ixpk= 1168, nxpk= 0, iat=1473,1754, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 94 VAL HB 112 VAL QG1 5.50 (#peak 1164)
&rst
ixpk= 1164, nxpk= 0, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1760,1761,1762,
&end
#
# 94 VAL HB 112 VAL QG2 5.50 (#peak 1020)
&rst
ixpk= 1020, nxpk= 0, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1764,1765,1766,
&end
#
# 94 VAL HB 112 VAL QQG 4.29 (#peak 1020)
&rst
ixpk= 1020, nxpk= 0, iat=1473,1757, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, &end
#
# 94 VAL HB 95 GLU HN 4.01 (#peak 88)
&rst
ixpk= 88, nxpk= 0, iat=1473,1485, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 94 VAL HB 95 GLU HA 4.81 (#peak 1208)
&rst
ixpk= 1208, nxpk= 0, iat=1473,1487, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 94 VAL HB 96 ILE QG2 5.50 (#peak 1164)
&rst
ixpk= 1164, nxpk= 0, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1506,1507,1508,
&end
#
# 94 VAL QG1 95 GLU HN 4.12 (#peak 90)
&rst
ixpk= 90, nxpk= 0, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1475,1476,1477,
&end
#
# 94 VAL QG1 96 ILE HN 5.50 (#peak 146 )
&rst
ixpk= 146, nxpk= 0, iat= -1,1500, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1475,1476,1477,
&end
#
# 94 VAL QG2 95 GLU HN 4.12 (#peak 1184)
&rst
ixpk= 1184, nxpk= 0, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1479,1480,1481,
&end
#
# 94 VAL QQG 95 GLU HN 2.96 (#peak 90)
&rst
ixpk= 90, nxpk= 0, iat=1472,1485, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 94 VAL QQG 95 GLU HA 4.17 (#peak 1192)
&rst
ixpk= 1192, nxpk= 0, iat=1472,1487, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, &end
#
# 95 GLU HN 107 LEU QD2 6.00 (#peak 1439 )
&rst
ixpk= 1439, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1690,1691,1692,
&end
#
# 95 GLU HN 112 VAL QQG 5.36 (#peak 91)
&rst
ixpk= 91, nxpk= 0, iat=1485,1757, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 95 GLU HN 95 GLU HG2 4.02 (#peak 85)
&rst
ixpk= 85, nxpk= 0, iat=1485,1492, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 95 GLU HN 95 GLU HG3 4.02 (#peak 89)
&rst
ixpk= 89, nxpk= 0, iat=1485,1493, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 95 GLU HN 95 GLU QB 3.02 (#peak 86)
&rst
ixpk= 86, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2=1489,1490,
&end
#
# 95 GLU HN 95 GLU QG 3.35 (#peak 89)
&rst
ixpk= 89, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1492,1493,
&end
#
# 95 GLU HN 96 ILE HN 4.77 (#peak 135)
&rst
ixpk= 135, nxpk= 0, iat=1485,1500, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 95 GLU HN 96 ILE HA 5.31 (#peak 1236)
&rst
ixpk= 1236, nxpk= 0, iat=1485,1502, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 95 GLU HN 96 ILE QG2 5.50 (#peak 2853)
&rst
ixpk= 2853, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1506,1507,1508,
&end
#
# 95 GLU HA 111 ASP HA 6.00 (#peak 1204 )
&rst
ixpk= 1204, nxpk= 0, iat=1487,1744, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 95 GLU HA 112 VAL HN 5.00 (#peak 1201)
&rst
ixpk= 1201, nxpk= 0, iat=1487,1754, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 GLU HA 112 VAL QQG 3.74 (#peak 1210)
&rst
ixpk= 1210, nxpk= 0, iat=1487,1757, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 95 GLU HA 95 GLU HG2 4.24 (#peak 1223)
&rst
ixpk= 1223, nxpk= 0, iat=1487,1492, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 95 GLU HA 95 GLU HG3 4.24 (#peak 1224)
&rst
ixpk= 1224, nxpk= 0, iat=1487,1493, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 95 GLU HA 95 GLU QG 3.71 (#peak 1223)
&rst
ixpk= 1223, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1492,1493,
&end
#
# 95 GLU HA 96 ILE HN 3.05 (#peak 132)
&rst
ixpk= 132, nxpk= 0, iat=1487,1500, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 95 GLU HA 96 ILE HA 5.28 (#peak 1211)
&rst
ixpk= 1211, nxpk= 0, iat=1487,1502, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 95 GLU HA 96 ILE QD1 4.09 (#peak 1261)
&rst
ixpk= 1261, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1513,1514,1515,
&end
#
# 95 GLU HB2 107 LEU QD1 5.41 (#peak 1433)
&rst
ixpk= 1433, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1686,1687,1688,
&end
#
# 95 GLU HB2 107 LEU QD2 5.41 (#peak 1446)
&rst
ixpk= 1446, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1690,1691,1692,
&end
#
# 95 GLU HB3 107 LEU QD1 5.41 (#peak 1433)
&rst
ixpk= 1433, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1686,1687,1688,
&end
#
# 95 GLU HB3 107 LEU QD2 5.41 (#peak 1433)
&rst
ixpk= 1433, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1690,1691,1692,
&end
#
# 95 GLU HG2 107 LEU QD1 5.85 (#peak 1231)
&rst
ixpk= 1231, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2=1686,1687,1688,
&end
#
# 95 GLU HG2 107 LEU QD2 5.85 (#peak 1443)
&rst
ixpk= 1443, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2=1690,1691,1692,
&end
#
# 95 GLU HG3 107 LEU QD1 5.85 (#peak 1443)
&rst
ixpk= 1443, nxpk= 0, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2=1686,1687,1688,
&end
#
# 95 GLU HG3 107 LEU QD2 5.85 (#peak 1443)
&rst
ixpk= 1443, nxpk= 0, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2=1690,1691,1692,
&end
#
# 95 GLU QB 107 LEU QQD 3.12 (#peak 1433)
&rst
ixpk= 1433, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1489,1490,
&end
#
# 95 GLU QB 110 VAL HN 4.53 (#peak 230)
&rst
ixpk= 230, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1489,1490,
&end
#
# 95 GLU QB 96 ILE HN 3.38 (#peak 140)
&rst
ixpk= 140, nxpk= 0, iat= -1,1500, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1=1489,1490,
&end
#
# 95 GLU QB 96 ILE QD1 4.31 (#peak 1266)
&rst
ixpk= 1266, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1489,1490,
igr2=1513,1514,1515,
&end
#
# 95 GLU QG 107 LEU HG 4.80 (#peak 1420)
&rst
ixpk= 1420, nxpk= 0, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1492,1493,
&end
#
# 95 GLU QG 107 LEU QQD 3.53 (#peak 1443)
&rst
ixpk= 1443, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1492,1493,
&end
#
# 95 GLU QG 96 ILE HN 3.74 (#peak 139)
&rst
ixpk= 139, nxpk= 0, iat= -1,1500, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1492,1493,
&end
#
# 96 ILE HN 107 LEU HG 5.50 (#peak 142 )
&rst
ixpk= 142, nxpk= 0, iat=1500,1684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 ILE HN 107 LEU QD1 4.47 (#peak 145)
&rst
ixpk= 145, nxpk= 0, iat=1500, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1686,1687,1688,
&end
#
# 96 ILE HN 107 LEU QD2 5.00 (#peak 1436)
&rst
ixpk= 1436, nxpk= 0, iat=1500, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1690,1691,1692,
&end
#
# 96 ILE HN 107 LEU QQD 3.45 (#peak 145)
&rst
ixpk= 145, nxpk= 0, iat=1500,1683, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 96 ILE HN 108 CYS HB2 6.00 (#peak 2830 )
&rst
ixpk= 2830, nxpk= 0, iat=1500,1700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 ILE HN 110 VAL HN 4.41 (#peak 238)
&rst
ixpk= 238, nxpk= 0, iat=1500,1726, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 96 ILE HN 112 VAL QG2 5.50 (#peak 144 )
&rst
ixpk= 144, nxpk= 0, iat=1500, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1764,1765,1766,
&end
#
# 96 ILE HN 112 VAL QQG 4.75 (#peak 1506)
&rst
ixpk= 1506, nxpk= 0, iat=1500,1757, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, &end
#
# 96 ILE HN 96 ILE HB 4.06 (#peak 143)
&rst
ixpk= 143, nxpk= 0, iat=1500,1504, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 96 ILE HN 96 ILE QD1 2.95 (#peak 149)
&rst
ixpk= 149, nxpk= 0, iat=1500, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1513,1514,1515,
&end
#
# 96 ILE HN 96 ILE QG2 4.20 (#peak 148)
&rst
ixpk= 148, nxpk= 0, iat=1500, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1506,1507,1508,
&end
#
# 96 ILE HN 97 ALA HN 4.55 (#peak 80)
&rst
ixpk= 80, nxpk= 0, iat=1500,1519, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 96 ILE HN 98 PHE HD 6.72 (#peak 133)
&rst
ixpk= 133, nxpk= 0, iat=1500, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr2=1537,1545,
&end
#
# 96 ILE HA 107 LEU QD1 4.64 (#peak 1242)
&rst
ixpk= 1242, nxpk= 0, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1686,1687,1688,
&end
#
# 96 ILE HA 107 LEU QD2 4.64 (#peak 1442)
&rst
ixpk= 1442, nxpk= 0, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1690,1691,1692,
&end
#
# 96 ILE HA 96 ILE QD1 3.76 (#peak 1262)
&rst
ixpk= 1262, nxpk= 0, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1513,1514,1515,
&end
#
# 96 ILE HA 96 ILE QG2 3.47 (#peak 2845)
&rst
ixpk= 2845, nxpk= 0, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1506,1507,1508,
&end
#
# 96 ILE HA 97 ALA HN 3.21 (#peak 75)
&rst
ixpk= 75, nxpk= 0, iat=1502,1519, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 96 ILE HA 97 ALA QB 4.11 (#peak 1239)
&rst
ixpk= 1239, nxpk= 0, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1523,1524,1525,
&end
#
# 96 ILE HB 96 ILE QD1 3.36 (#peak 1269)
&rst
ixpk= 1269, nxpk= 0, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1513,1514,1515,
&end
#
# 96 ILE HB 97 ALA HN 3.91 (#peak 71)
&rst
ixpk= 71, nxpk= 0, iat=1504,1519, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 96 ILE QD1 108 CYS HB2 6.00 (#peak 1265 )
&rst
ixpk= 1265, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1513,1514,1515,
&end
#
# 96 ILE QD1 110 VAL HN 4.48 (#peak 225)
&rst
ixpk= 225, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1513,1514,1515,
&end
#
# 96 ILE QD1 111 ASP HN 5.39 (#peak 94)
&rst
ixpk= 94, nxpk= 0, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1513,1514,1515,
&end
#
# 96 ILE QD1 112 VAL HN 4.39 (#peak 1256)
&rst
ixpk= 1256, nxpk= 0, iat= -1,1754, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1513,1514,1515,
&end
#
# 96 ILE QD1 112 VAL HA 5.50 (#peak 1263)
&rst
ixpk= 1263, nxpk= 0, iat= -1,1756, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1513,1514,1515,
&end
#
# 96 ILE QD1 112 VAL QQG 2.86 (#peak 1270)
&rst
ixpk= 1270, nxpk= 0, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1513,1514,1515,
&end
#
# 96 ILE QD1 97 ALA HN 4.66 (#peak 1258)
&rst
ixpk= 1258, nxpk= 0, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1513,1514,1515,
&end
#
# 96 ILE QD1 98 PHE HN 5.49 (#peak 307)
&rst
ixpk= 307, nxpk= 0, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1513,1514,1515,
&end
#
# 96 ILE QD1 98 PHE HD 5.71 (#peak 1260)
&rst
ixpk= 1260, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1=1513,1514,1515,
igr2=1537,1545,
&end
#
# 96 ILE QG2 129 PHE HD 7.50 (#peak 2850)
&rst
ixpk= 2850, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.11, r4=10.61,
igr1=1506,1507,1508,
igr2=2028,2036,
&end
#
# 96 ILE QG2 96 ILE QD1 3.38 (#peak 1272)
&rst
ixpk= 1272, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1506,1507,1508,
igr2=1513,1514,1515,
&end
#
# 96 ILE QG2 97 ALA HN 3.69 (#peak 67)
&rst
ixpk= 67, nxpk= 0, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1506,1507,1508,
&end
#
# 96 ILE QG2 98 PHE HD 5.97 (#peak 2849)
&rst
ixpk= 2849, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr1=1506,1507,1508,
igr2=1537,1545,
&end
#
# 97 ALA HN 107 LEU QQD 4.28 (#peak 69)
&rst
ixpk= 69, nxpk= 0, iat=1519,1683, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, &end
#
# 97 ALA HN 97 ALA QB 3.19 (#peak 70)
&rst
ixpk= 70, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1523,1524,1525,
&end
#
# 97 ALA HN 98 PHE HN 4.67 (#peak 294)
&rst
ixpk= 294, nxpk= 0, iat=1519,1529, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 97 ALA HN 98 PHE HD 7.26 (#peak 1628)
&rst
ixpk= 1628, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,
igr2=1537,1545,
&end
#
# 97 ALA HA 107 LEU QD1 4.49 (#peak 1275)
&rst
ixpk= 1275, nxpk= 0, iat=1521, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1686,1687,1688,
&end
#
# 97 ALA HA 107 LEU QD2 4.49 (#peak 1440)
&rst
ixpk= 1440, nxpk= 0, iat=1521, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1690,1691,1692,
&end
#
# 97 ALA HA 107 LEU QQD 3.78 (#peak 1275)
&rst
ixpk= 1275, nxpk= 0, iat=1521,1683, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 97 ALA QB 107 LEU HN 4.00 (#peak 332)
&rst
ixpk= 332, nxpk= 0, iat= -1,1677, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1523,1524,1525,
&end
#
# 97 ALA QB 107 LEU HA 2.99 (#peak 1288)
&rst
ixpk= 1288, nxpk= 0, iat= -1,1679, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1523,1524,1525,
&end
#
# 97 ALA QB 107 LEU QB 3.45 (#peak 1296)
&rst
ixpk= 1296, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1523,1524,1525,
igr2=1681,1682,
&end
#
# 97 ALA QB 98 PHE HN 3.48 (#peak 305)
&rst
ixpk= 305, nxpk= 0, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1523,1524,1525,
&end
#
# 98 PHE HN 106 PHE HN 5.00 (#peak 105 )
&rst
ixpk= 105, nxpk= 0, iat=1529,1657, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 PHE HN 107 LEU HA 3.93 (#peak 301)
&rst
ixpk= 301, nxpk= 0, iat=1529,1679, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 98 PHE HN 107 LEU QQD 5.00 (#peak 306)
&rst
ixpk= 306, nxpk= 0, iat=1529,1683, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 98 PHE HN 98 PHE HB2 3.54 (#peak 304)
&rst
ixpk= 304, nxpk= 0, iat=1529,1533, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 98 PHE HN 98 PHE HB3 3.91 (#peak 303)
&rst
ixpk= 303, nxpk= 0, iat=1529,1534, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 98 PHE HN 98 PHE HD 5.76 (#peak 297)
&rst
ixpk= 297, nxpk= 0, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1537,1545,
&end
#
# 98 PHE HA 98 PHE HD 5.44 (#peak 1301)
&rst
ixpk= 1301, nxpk= 0, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1537,1545,
&end
#
# 98 PHE HB2 99 TYR HN 4.16 (#peak 1160)
&rst
ixpk= 1160, nxpk= 0, iat=1533,1549, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 98 PHE HB3 106 PHE HN 6.00 (#peak 114 )
&rst
ixpk= 114, nxpk= 0, iat=1534,1657, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 98 PHE HB3 99 TYR HN 3.79 (#peak 1157)
&rst
ixpk= 1157, nxpk= 0, iat=1534,1549, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 98 PHE HD 108 CYS HB2 6.76 (#peak 2832)
&rst
ixpk= 2832, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
igr1=1537,1545,
&end
#
# 98 PHE HD 108 CYS HB3 7.50 (#peak 2833)
&rst
ixpk= 2833, nxpk= 0, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1=1537,1545,
&end
#
# 98 PHE HD 108 CYS QB 6.00 (#peak 2832)
&rst
ixpk= 2832, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1537,1545,
igr2=1700,1701,
&end
#
# 98 PHE HD 110 VAL HN 7.01 (#peak 235)
&rst
ixpk= 235, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1=1537,1545,
&end
#
# 98 PHE HD 111 ASP HN 7.50 (#peak 102)
&rst
ixpk= 102, nxpk= 0, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1=1537,1545,
&end
#
# 98 PHE HD 112 VAL QG2 7.50 (#peak 1511 )
&rst
ixpk= 1511, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.11, r4=10.61,
igr1=1537,1545,
igr2=1764,1765,1766,
&end
#
# 98 PHE HD 131 VAL QG1 6.58 (#peak 1935)
&rst
ixpk= 1935, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
igr1=1537,1545,
igr2=2061,2062,2063,
&end
#
# 98 PHE HD 131 VAL QG2 6.58 (#peak 1951)
&rst
ixpk= 1951, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
igr1=1537,1545,
igr2=2065,2066,2067,
&end
#
# 98 PHE HD 131 VAL QQG 5.55 (#peak 1935)
&rst
ixpk= 1935, nxpk= 0, iat= -1,2058, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1=1537,1545,
&end
#
# 99 TYR HN 99 TYR HB3 3.99 (#peak 1159)
&rst
ixpk= 1159, nxpk= 0, iat=1549,1554, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 99 TYR HN 99 TYR HD 5.61 (#peak 1155)
&rst
ixpk= 1155, nxpk= 0, iat=1549, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1557,1566,
&end
#
# 99 TYR HA 105 CYS HA 4.11 (#peak 1312)
&rst
ixpk= 1312, nxpk= 0, iat=1551,1648, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 99 TYR HA 106 PHE HN 4.41 (#peak 1314)
&rst
ixpk= 1314, nxpk= 0, iat=1551,1657, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 99 TYR HA 99 TYR HD 6.08 (#peak 1311)
&rst
ixpk= 1311, nxpk= 0, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr2=1557,1566,
&end
#
# 99 TYR HB2 100 ARG HN 4.54 (#peak 811)
&rst
ixpk= 811, nxpk= 0, iat=1553,1570, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 99 TYR HB3 100 ARG HN 4.54 (#peak 812)
&rst
ixpk= 812, nxpk= 0, iat=1554,1570, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 99 TYR HD 100 ARG HN 6.09 (#peak 805)
&rst
ixpk= 805, nxpk= 0, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1=1557,1566,
&end
#
# 99 TYR HD 101 LYS HN 7.12 (#peak 319)
&rst
ixpk= 319, nxpk= 0, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1=1557,1566,
&end
#
# 100 ARG HN 100 ARG HE 5.50 (#peak 807)
&rst
ixpk= 807, nxpk= 0, iat=1570,1583, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 LYS HN 101 LYS HB2 3.80 (#peak 312)
&rst
ixpk= 312, nxpk= 0, iat=1594,1598, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 101 LYS HN 101 LYS HB3 3.80 (#peak 309)
&rst
ixpk= 309, nxpk= 0, iat=1594,1599, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 101 LYS HN 101 LYS QB 3.28 (#peak 312)
&rst
ixpk= 312, nxpk= 0, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1598,1599,
&end
#
# 101 LYS HN 101 LYS QD 4.04 (#peak 312)
&rst
ixpk= 312, nxpk= 0, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1604,1605,
&end
#
# 101 LYS HN 102 ASP HN 3.85 (#peak 1351)
&rst
ixpk= 1351, nxpk= 0, iat=1594,1616, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 101 LYS HN 103 GLY HN 4.73 (#peak 414)
&rst
ixpk= 414, nxpk= 0, iat=1594,1628, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 101 LYS HN 104 SER HN 5.50 (#peak 1108)
&rst
ixpk= 1108, nxpk= 0, iat=1594,1635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 LYS HA 101 LYS HD2 4.61 (#peak 1336)
&rst
ixpk= 1336, nxpk= 0, iat=1596,1604, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 101 LYS HA 101 LYS HD3 4.61 (#peak 1325)
&rst
ixpk= 1325, nxpk= 0, iat=1596,1605, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 101 LYS HA 101 LYS HE2 5.50 (#peak 1322 )
&rst
ixpk= 1322, nxpk= 0, iat=1596,1607, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 LYS HA 101 LYS QD 3.81 (#peak 1325)
&rst
ixpk= 1325, nxpk= 0, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1604,1605,
&end
#
# 101 LYS HD2 102 ASP HA 4.83 (#peak 1337)
&rst
ixpk= 1337, nxpk= 0, iat=1604,1618, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 101 LYS HD3 102 ASP HA 4.83 (#peak 1335)
&rst
ixpk= 1335, nxpk= 0, iat=1605,1618, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 101 LYS QB 101 LYS QD 3.31 (#peak 1340)
&rst
ixpk= 1340, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1598,1599,
igr2=1604,1605,
&end
#
# 101 LYS QB 101 LYS QE 3.92 (#peak 1358)
&rst
ixpk= 1358, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1598,1599,
igr2=1607,1608,
&end
#
# 101 LYS QB 102 ASP HN 4.24 (#peak 1362)
&rst
ixpk= 1362, nxpk= 0, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1598,1599,
&end
#
# 101 LYS QB 103 GLY HN 5.34 (#peak 421)
&rst
ixpk= 421, nxpk= 0, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1598,1599,
&end
#
# 101 LYS QD 102 ASP HN 3.35 (#peak 1359)
&rst
ixpk= 1359, nxpk= 0, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1=1604,1605,
&end
#
# 101 LYS QD 102 ASP HA 4.13 (#peak 1335)
&rst
ixpk= 1335, nxpk= 0, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1604,1605,
&end
#
# 101 LYS QD 103 GLY HN 5.34 (#peak 421)
&rst
ixpk= 421, nxpk= 0, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1604,1605,
&end
#
# 101 LYS QE 102 ASP HA 4.53 (#peak 1360)
&rst
ixpk= 1360, nxpk= 0, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1607,1608,
&end
#
# 102 ASP HN 102 ASP HB2 3.66 (#peak 1355)
&rst
ixpk= 1355, nxpk= 0, iat=1616,1620, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 102 ASP HN 102 ASP HB3 3.66 (#peak 1356)
&rst
ixpk= 1356, nxpk= 0, iat=1616,1621, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 102 ASP HN 102 ASP QB 3.17 (#peak 1356)
&rst
ixpk= 1356, nxpk= 0, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2=1620,1621,
&end
#
# 102 ASP HN 103 GLY HN 3.73 (#peak 1350)
&rst
ixpk= 1350, nxpk= 0, iat=1616,1628, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 102 ASP HN 104 SER HN 4.54 (#peak 1109)
&rst
ixpk= 1109, nxpk= 0, iat=1616,1635, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 103 GLY HN 104 SER HN 3.83 (#peak 1107)
&rst
ixpk= 1107, nxpk= 0, iat=1628,1635, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 103 GLY QA 104 SER HA 4.52 (#peak 1380)
&rst
ixpk= 1380, nxpk= 0, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1630,1631,
&end
#
# 104 SER HA 105 CYS HN 3.29 (#peak 610)
&rst
ixpk= 610, nxpk= 0, iat=1637,1646, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 105 CYS HN 105 CYS QB 3.70 (#peak 613)
&rst
ixpk= 613, nxpk= 0, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1650,1651,
&end
#
# 105 CYS HN 106 PHE HN 4.98 (#peak 1661)
&rst
ixpk= 1661, nxpk= 0, iat=1646,1657, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 105 CYS HN 106 PHE HD 6.54 (#peak 615)
&rst
ixpk= 615, nxpk= 0, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr2=1665,1673,
&end
#
# 105 CYS HB2 106 PHE HN 5.50 (#peak 2514)
&rst
ixpk= 2514, nxpk= 0, iat=1650,1657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 CYS HB3 106 PHE HN 5.50 (#peak 2514)
&rst
ixpk= 2514, nxpk= 0, iat=1651,1657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 PHE HN 106 PHE HB3 4.06 (#peak 110)
&rst
ixpk= 110, nxpk= 0, iat=1657,1662, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 106 PHE HN 106 PHE HD 5.39 (#peak 107)
&rst
ixpk= 107, nxpk= 0, iat=1657, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1665,1673,
&end
#
# 106 PHE HN 107 LEU HN 4.66 (#peak 324)
&rst
ixpk= 324, nxpk= 0, iat=1657,1677, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 106 PHE HA 106 PHE HD 6.41 (#peak 1387)
&rst
ixpk= 1387, nxpk= 0, iat=1659, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=1665,1673,
&end
#
# 106 PHE HA 107 LEU HN 3.33 (#peak 325)
&rst
ixpk= 325, nxpk= 0, iat=1659,1677, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 106 PHE HA 107 LEU QB 4.47 (#peak 1390)
&rst
ixpk= 1390, nxpk= 0, iat=1659, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1681,1682,
&end
#
# 106 PHE HB2 107 LEU HN 4.00 (#peak 327)
&rst
ixpk= 327, nxpk= 0, iat=1661,1677, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 106 PHE HB2 107 LEU QB 5.28 (#peak 1397)
&rst
ixpk= 1397, nxpk= 0, iat=1661, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1681,1682,
&end
#
# 106 PHE QB 107 LEU HB2 6.00 (#peak 1396 )
&rst
ixpk= 1396, nxpk= 0, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1661,1662,
&end
#
# 106 PHE HD 107 LEU HN 6.02 (#peak 322)
&rst
ixpk= 322, nxpk= 0, iat= -1,1677, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=1665,1673,
&end
#
# 106 PHE HD 108 CYS HB2 7.00 (#peak 2835)
&rst
ixpk= 2835, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1665,1673,
&end
#
# 106 PHE HD 108 CYS HB3 6.62 (#peak 2834)
&rst
ixpk= 2834, nxpk= 0, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1=1665,1673,
&end
#
# 106 PHE HD 131 VAL HB 6.43 (#peak 1923)
&rst
ixpk= 1923, nxpk= 0, iat= -1,2059, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1=1665,1673,
&end
#
# 106 PHE HD 131 VAL QG1 7.50 (#peak 1936 )
&rst
ixpk= 1936, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.11, r4=10.61,
igr1=1665,1673,
igr2=2061,2062,2063,
&end
#
# 106 PHE HD 131 VAL QQG 6.29 (#peak 1950)
&rst
ixpk= 1950, nxpk= 0, iat= -1,2058, r1= 1.30, r2= 1.80, r3= 9.26, r4= 9.76,
igr1=1665,1673,
&end
#
# 106 PHE HD 132 VAL HN 7.50 (#peak 55)
&rst
ixpk= 55, nxpk= 0, iat= -1,2071, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1=1665,1673,
&end
#
# 107 LEU HN 107 LEU HB2 3.23 (#peak 329)
&rst
ixpk= 329, nxpk= 0, iat=1677,1681, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 107 LEU HN 107 LEU HB3 3.23 (#peak 330)
&rst
ixpk= 330, nxpk= 0, iat=1677,1682, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 107 LEU HN 107 LEU HG 4.68 (#peak 1415)
&rst
ixpk= 1415, nxpk= 0, iat=1677,1684, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 107 LEU HN 107 LEU QB 2.77 (#peak 330)
&rst
ixpk= 330, nxpk= 0, iat=1677, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2=1681,1682,
&end
#
# 107 LEU HN 107 LEU QD1 4.57 (#peak 333)
&rst
ixpk= 333, nxpk= 0, iat=1677, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1686,1687,1688,
&end
#
# 107 LEU HN 107 LEU QD2 4.57 (#peak 1438)
&rst
ixpk= 1438, nxpk= 0, iat=1677, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1690,1691,1692,
&end
#
# 107 LEU HN 107 LEU QQD 4.01 (#peak 333)
&rst
ixpk= 333, nxpk= 0, iat=1677,1683, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, &end
#
# 107 LEU HA 107 LEU HG 4.14 (#peak 1419)
&rst
ixpk= 1419, nxpk= 0, iat=1679,1684, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 107 LEU HA 107 LEU QD1 4.09 (#peak 1402)
&rst
ixpk= 1402, nxpk= 0, iat=1679, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1686,1687,1688,
&end
#
# 107 LEU HA 107 LEU QD2 4.09 (#peak 1441)
&rst
ixpk= 1441, nxpk= 0, iat=1679, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1690,1691,1692,
&end
#
# 107 LEU HA 107 LEU QQD 3.26 (#peak 1402)
&rst
ixpk= 1402, nxpk= 0, iat=1679,1683, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 107 LEU HA 131 VAL QG2 5.50 (#peak 2363 )
&rst
ixpk= 2363, nxpk= 0, iat=1679, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2065,2066,2067,
&end
#
# 107 LEU HB2 107 LEU QD1 3.71 (#peak 1434)
&rst
ixpk= 1434, nxpk= 0, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1686,1687,1688,
&end
#
# 107 LEU HB2 107 LEU QD2 3.71 (#peak 1445)
&rst
ixpk= 1445, nxpk= 0, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1690,1691,1692,
&end
#
# 107 LEU HB3 107 LEU QD1 3.71 (#peak 1413)
&rst
ixpk= 1413, nxpk= 0, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1686,1687,1688,
&end
#
# 107 LEU HB3 107 LEU QD2 3.71 (#peak 1447)
&rst
ixpk= 1447, nxpk= 0, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1690,1691,1692,
&end
#
# 107 LEU QB 107 LEU QQD 2.78 (#peak 1434)
&rst
ixpk= 1434, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1681,1682,
&end
#
# 107 LEU QD1 132 VAL HN 6.00 (#peak 65 )
&rst
ixpk= 65, nxpk= 0, iat= -1,2071, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1686,1687,1688,
&end
#
# 107 LEU QQD 110 VAL HN 4.00 (#peak 226)
&rst
ixpk= 226, nxpk= 0, iat=1683,1726, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 108 CYS HB2 110 VAL HN 5.00 (#peak 231 )
&rst
ixpk= 231, nxpk= 0, iat=1700,1726, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 CYS HB2 110 VAL HN 5.17 (#peak 2828)
&rst
ixpk= 2828, nxpk= 0, iat=1700,1726, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 108 CYS HB2 110 VAL HA 5.50 (#peak 1453 )
&rst
ixpk= 1453, nxpk= 0, iat=1700,1728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 CYS HB2 132 VAL QQG 6.00 (#peak 2841 )
&rst
ixpk= 2841, nxpk= 0, iat=1700,2074, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 108 CYS HB3 110 VAL HN 5.00 (#peak 231 )
&rst
ixpk= 231, nxpk= 0, iat=1701,1726, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 CYS HB3 110 VAL HN 5.17 (#peak 2829)
&rst
ixpk= 2829, nxpk= 0, iat=1701,1726, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 108 CYS QB 110 VAL HN 4.31 (#peak 2829)
&rst
ixpk= 2829, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1700,1701,
&end
#
# 108 CYS QB 110 VAL HA 4.90 (#peak 2836)
&rst
ixpk= 2836, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1700,1701,
&end
#
# 108 CYS QB 132 VAL QQG 5.28 (#peak 2842)
&rst
ixpk= 2842, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
igr1=1700,1701,
&end
#
# 109 LEU HA 110 VAL HN 3.23 (#peak 233)
&rst
ixpk= 233, nxpk= 0, iat=1709,1726, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 109 LEU HB2 132 VAL QG1 5.93 (#peak 1966)
&rst
ixpk= 1966, nxpk= 0, iat=1711, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2=2077,2078,2079,
&end
#
# 109 LEU HB2 132 VAL QG2 5.50 (#peak 1965 )
&rst
ixpk= 1965, nxpk= 0, iat=1711, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2081,2082,2083,
&end
#
# 109 LEU HB2 132 VAL QG2 5.93 (#peak 1966)
&rst
ixpk= 1966, nxpk= 0, iat=1711, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2=2081,2082,2083,
&end
#
# 109 LEU HB3 110 VAL HN 5.00 (#peak 228 )
&rst
ixpk= 228, nxpk= 0, iat=1712,1726, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 109 LEU HB3 132 VAL QG1 5.93 (#peak 1966)
&rst
ixpk= 1966, nxpk= 0, iat=1712, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2=2077,2078,2079,
&end
#
# 109 LEU HB3 132 VAL QG2 5.93 (#peak 1966)
&rst
ixpk= 1966, nxpk= 0, iat=1712, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2=2081,2082,2083,
&end
#
# 109 LEU QB 110 VAL HA 5.34 (#peak 1456)
&rst
ixpk= 1456, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1711,1712,
&end
#
# 109 LEU QB 132 VAL HN 5.00 (#peak 62)
&rst
ixpk= 62, nxpk= 0, iat= -1,2071, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1711,1712,
&end
#
# 109 LEU QB 132 VAL QQG 3.52 (#peak 1966)
&rst
ixpk= 1966, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1711,1712,
&end
#
# 109 LEU QB 133 MET HN 5.34 (#peak 460)
&rst
ixpk= 460, nxpk= 0, iat= -1,2087, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1711,1712,
&end
#
# 110 VAL HN 111 ASP HN 4.76 (#peak 1771)
&rst
ixpk= 1771, nxpk= 0, iat=1726,1742, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 110 VAL HN 132 VAL QG1 5.50 (#peak 227 )
&rst
ixpk= 227, nxpk= 0, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2077,2078,2079,
&end
#
# 110 VAL HA 111 ASP HN 2.94 (#peak 101)
&rst
ixpk= 101, nxpk= 0, iat=1728,1742, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 110 VAL HA 111 ASP HB2 4.67 (#peak 1455)
&rst
ixpk= 1455, nxpk= 0, iat=1728,1746, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 110 VAL HA 111 ASP HB3 5.50 (#peak 1456)
&rst
ixpk= 1456, nxpk= 0, iat=1728,1747, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 VAL HA 130 GLU HN 4.54 (#peak 436)
&rst
ixpk= 436, nxpk= 0, iat=1728,2040, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 110 VAL HA 131 VAL HA 3.87 (#peak 1448)
&rst
ixpk= 1448, nxpk= 0, iat=1728,2057, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 110 VAL HA 131 VAL HB 6.00 (#peak 1924)
&rst
ixpk= 1924, nxpk= 0, iat=1728,2059, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 110 VAL HA 132 VAL HN 4.00 (#peak 54)
&rst
ixpk= 54, nxpk= 0, iat=1728,2071, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 VAL HA 132 VAL QQG 3.58 (#peak 1457)
&rst
ixpk= 1457, nxpk= 0, iat=1728,2074, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 111 ASP HN 111 ASP HB2 3.45 (#peak 96)
&rst
ixpk= 96, nxpk= 0, iat=1742,1746, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 111 ASP HN 111 ASP HB3 3.42 (#peak 95)
&rst
ixpk= 95, nxpk= 0, iat=1742,1747, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 111 ASP HN 112 VAL HN 3.82 (#peak 51)
&rst
ixpk= 51, nxpk= 0, iat=1742,1754, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 111 ASP HN 112 VAL QG1 6.00 (#peak 1504 )
&rst
ixpk= 1504, nxpk= 0, iat=1742, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1760,1761,1762,
&end
#
# 111 ASP HN 112 VAL QG2 6.00 (#peak 93 )
&rst
ixpk= 93, nxpk= 0, iat=1742, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1764,1765,1766,
&end
#
# 111 ASP HN 112 VAL QQG 4.74 (#peak 115)
&rst
ixpk= 115, nxpk= 0, iat=1742,1757, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, &end
#
# 111 ASP HN 113 VAL HN 6.00 (#peak 161 )
&rst
ixpk= 161, nxpk= 0, iat=1742,1770, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 111 ASP HN 129 PHE HB3 5.50 (#peak 98 )
&rst
ixpk= 98, nxpk= 0, iat=1742,2025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 ASP HN 130 GLU HN 3.47 (#peak 103)
&rst
ixpk= 103, nxpk= 0, iat=1742,2040, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 111 ASP HN 130 GLU HB2 5.50 (#peak 1906)
&rst
ixpk= 1906, nxpk= 0, iat=1742,2044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 ASP HN 130 GLU HB3 5.50 (#peak 1906)
&rst
ixpk= 1906, nxpk= 0, iat=1742,2045, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 ASP HN 130 GLU HG2 4.35 (#peak 111)
&rst
ixpk= 111, nxpk= 0, iat=1742,2047, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 111 ASP HN 130 GLU QB 5.50 (#peak 98 )
&rst
ixpk= 98, nxpk= 0, iat=1742, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2044,2045,
&end
#
# 111 ASP HN 131 VAL HA 6.00 (#peak 100)
&rst
ixpk= 100, nxpk= 0, iat=1742,2057, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 111 ASP HN 132 VAL HN 6.00 (#peak 58 )
&rst
ixpk= 58, nxpk= 0, iat=1742,2071, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 111 ASP HN 132 VAL QQG 4.36 (#peak 1971)
&rst
ixpk= 1971, nxpk= 0, iat=1742,2074, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, &end
#
# 111 ASP HA 112 VAL HB 5.50 (#peak 1487)
&rst
ixpk= 1487, nxpk= 0, iat=1744,1758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 ASP HA 112 VAL QQG 4.26 (#peak 1513)
&rst
ixpk= 1513, nxpk= 0, iat=1744,1757, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, &end
#
# 111 ASP HB2 112 VAL HN 4.92 (#peak 42)
&rst
ixpk= 42, nxpk= 0, iat=1746,1754, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 111 ASP HB2 130 GLU HN 5.30 (#peak 2987)
&rst
ixpk= 2987, nxpk= 0, iat=1746,2040, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 111 ASP HB2 130 GLU HG2 3.81 (#peak 1918)
&rst
ixpk= 1918, nxpk= 0, iat=1746,2047, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 111 ASP HB2 130 GLU HG3 4.12 (#peak 1917)
&rst
ixpk= 1917, nxpk= 0, iat=1746,2048, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 111 ASP HB2 130 GLU QB 5.50 (#peak 1470 )
&rst
ixpk= 1470, nxpk= 0, iat=1746, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2044,2045,
&end
#
# 111 ASP HB2 132 VAL QQG 4.23 (#peak 1476)
&rst
ixpk= 1476, nxpk= 0, iat=1746,2074, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, &end
#
# 111 ASP HB3 112 VAL HN 4.50 (#peak 41)
&rst
ixpk= 41, nxpk= 0, iat=1747,1754, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 ASP HB3 113 VAL HN 5.27 (#peak 153)
&rst
ixpk= 153, nxpk= 0, iat=1747,1770, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 111 ASP HB3 130 GLU HN 4.79 (#peak 450)
&rst
ixpk= 450, nxpk= 0, iat=1747,2040, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 111 ASP HB3 130 GLU HG2 4.34 (#peak 1916)
&rst
ixpk= 1916, nxpk= 0, iat=1747,2047, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 111 ASP HB3 130 GLU HG3 4.33 (#peak 1915)
&rst
ixpk= 1915, nxpk= 0, iat=1747,2048, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 111 ASP HB3 130 GLU QB 5.50 (#peak 1471 )
&rst
ixpk= 1471, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2044,2045,
&end
#
# 111 ASP HB3 132 VAL QG1 5.50 (#peak 1472 )
&rst
ixpk= 1472, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2077,2078,2079,
&end
#
# 112 VAL HN 112 VAL HB 3.18 (#peak 44)
&rst
ixpk= 44, nxpk= 0, iat=1754,1758, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 112 VAL HN 112 VAL QG1 3.83 (#peak 38)
&rst
ixpk= 38, nxpk= 0, iat=1754, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1760,1761,1762,
&end
#
# 112 VAL HN 112 VAL QG2 3.83 (#peak 40)
&rst
ixpk= 40, nxpk= 0, iat=1754, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1764,1765,1766,
&end
#
# 112 VAL HN 112 VAL QQG 2.94 (#peak 40)
&rst
ixpk= 40, nxpk= 0, iat=1754,1757, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 112 VAL HN 113 VAL HN 4.54 (#peak 162)
&rst
ixpk= 162, nxpk= 0, iat=1754,1770, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 112 VAL HN 130 GLU HN 6.00 (#peak 451 )
&rst
ixpk= 451, nxpk= 0, iat=1754,2040, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 112 VAL HA 112 VAL QG1 3.37 (#peak 1490)
&rst
ixpk= 1490, nxpk= 0, iat=1756, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1760,1761,1762,
&end
#
# 112 VAL HA 112 VAL QG2 3.37 (#peak 1481)
&rst
ixpk= 1481, nxpk= 0, iat=1756, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1764,1765,1766,
&end
#
# 112 VAL HA 112 VAL QQG 2.95 (#peak 1481)
&rst
ixpk= 1481, nxpk= 0, iat=1756,1757, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 112 VAL HA 113 VAL HN 3.02 (#peak 158)
&rst
ixpk= 158, nxpk= 0, iat=1756,1770, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 112 VAL HA 128 ASN HN 4.73 (#peak 678)
&rst
ixpk= 678, nxpk= 0, iat=1756,2006, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 112 VAL HA 130 GLU HN 5.50 (#peak 437)
&rst
ixpk= 437, nxpk= 0, iat=1756,2040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 VAL HB 113 VAL HN 4.61 (#peak 155)
&rst
ixpk= 155, nxpk= 0, iat=1758,1770, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 112 VAL HB 127 LEU QQD 5.16 (#peak 1858)
&rst
ixpk= 1858, nxpk= 0, iat=1758,1993, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86, &end
#
# 112 VAL QG1 113 VAL HN 4.55 (#peak 151)
&rst
ixpk= 151, nxpk= 0, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1760,1761,1762,
&end
#
# 112 VAL QG1 129 PHE HA 4.73 (#peak 1496)
&rst
ixpk= 1496, nxpk= 0, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1760,1761,1762,
&end
#
# 112 VAL QG2 113 VAL HN 4.55 (#peak 1508)
&rst
ixpk= 1508, nxpk= 0, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1764,1765,1766,
&end
#
# 112 VAL QG2 129 PHE HA 4.73 (#peak 1512)
&rst
ixpk= 1512, nxpk= 0, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1764,1765,1766,
&end
#
# 112 VAL QG2 130 GLU HG3 5.50 (#peak 1914 )
&rst
ixpk= 1914, nxpk= 0, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1764,1765,1766,
&end
#
# 112 VAL QQG 113 VAL HN 3.42 (#peak 151)
&rst
ixpk= 151, nxpk= 0, iat=1757,1770, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 112 VAL QQG 113 VAL HA 4.46 (#peak 1497)
&rst
ixpk= 1497, nxpk= 0, iat=1757,1772, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, &end
#
# 112 VAL QQG 127 LEU HA 4.32 (#peak 1498)
&rst
ixpk= 1498, nxpk= 0, iat=1757,1989, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, &end
#
# 112 VAL QQG 127 LEU HG 4.20 (#peak 1492)
&rst
ixpk= 1492, nxpk= 0, iat=1757,1994, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 112 VAL QQG 127 LEU QQD 3.04 (#peak 1859)
&rst
ixpk= 1859, nxpk= 0, iat=1757,1993, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94, &end
#
# 112 VAL QQG 128 ASN HN 4.32 (#peak 1500)
&rst
ixpk= 1500, nxpk= 0, iat=1757,2006, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, &end
#
# 112 VAL QQG 129 PHE HD 5.96 (#peak 1509)
&rst
ixpk= 1509, nxpk= 0, iat=1757, -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
igr2=2028,2036,
&end
#
# 113 VAL HN 127 LEU QQD 3.71 (#peak 117)
&rst
ixpk= 117, nxpk= 0, iat=1770,1993, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 113 VAL HN 128 ASN HN 3.61 (#peak 160)
&rst
ixpk= 160, nxpk= 0, iat=1770,2006, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 113 VAL HN 128 ASN HB2 4.21 (#peak 157)
&rst
ixpk= 157, nxpk= 0, iat=1770,2010, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 113 VAL HN 129 PHE HA 6.00 (#peak 1885)
&rst
ixpk= 1885, nxpk= 0, iat=1770,2022, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 113 VAL HN 130 GLU HN 6.00 (#peak 441)
&rst
ixpk= 441, nxpk= 0, iat=1770,2040, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 113 VAL HA 127 LEU QD2 6.00 (#peak 1872 )
&rst
ixpk= 1872, nxpk= 0, iat=1772, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2000,2001,2002,
&end
#
# 113 VAL HA 127 LEU QQD 4.09 (#peak 1530)
&rst
ixpk= 1530, nxpk= 0, iat=1772,1993, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, &end
#
# 114 PRO HA 115 VAL HN 3.07 (#peak 288)
&rst
ixpk= 288, nxpk= 0, iat=1796,1800, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 114 PRO HA 122 VAL QQG 4.66 (#peak 1543)
&rst
ixpk= 1543, nxpk= 0, iat=1796,1899, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36, &end
#
# 114 PRO HA 125 PHE HA 4.42 (#peak 1536)
&rst
ixpk= 1536, nxpk= 0, iat=1796,1950, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 114 PRO HA 125 PHE HD 6.27 (#peak 1535)
&rst
ixpk= 1535, nxpk= 0, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2=1956,1964,
&end
#
# 114 PRO HA 126 ILE HN 4.43 (#peak 1532)
&rst
ixpk= 1532, nxpk= 0, iat=1796,1968, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 114 PRO HA 127 LEU HA 4.45 (#peak 1537)
&rst
ixpk= 1537, nxpk= 0, iat=1796,1989, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 114 PRO HA 127 LEU HG 4.50 (#peak 1539)
&rst
ixpk= 1539, nxpk= 0, iat=1796,1994, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 114 PRO HA 127 LEU QD1 4.30 (#peak 1541)
&rst
ixpk= 1541, nxpk= 0, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1996,1997,1998,
&end
#
# 114 PRO HA 127 LEU QD2 4.30 (#peak 1874)
&rst
ixpk= 1874, nxpk= 0, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2000,2001,2002,
&end
#
# 114 PRO HA 127 LEU QQD 3.35 (#peak 1541)
&rst
ixpk= 1541, nxpk= 0, iat=1796,1993, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 114 PRO HA 128 ASN HN 5.50 (#peak 679)
&rst
ixpk= 679, nxpk= 0, iat=1796,2006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 PRO HD2 127 LEU QD1 6.63 (#peak 2711)
&rst
ixpk= 2711, nxpk= 0, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
igr2=1996,1997,1998,
&end
#
# 114 PRO HD2 127 LEU QD2 6.63 (#peak 2710)
&rst
ixpk= 2710, nxpk= 0, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
igr2=2000,2001,2002,
&end
#
# 114 PRO HD3 122 VAL QG1 6.00 (#peak 2702 )
&rst
ixpk= 2702, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1902,1903,1904,
&end
#
# 114 PRO HD3 127 LEU QD1 6.63 (#peak 2711)
&rst
ixpk= 2711, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
igr2=1996,1997,1998,
&end
#
# 114 PRO HD3 127 LEU QD2 6.63 (#peak 2711)
&rst
ixpk= 2711, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
igr2=2000,2001,2002,
&end
#
# 114 PRO HG2 115 VAL HN 4.05 (#peak 284)
&rst
ixpk= 284, nxpk= 0, iat=1790,1800, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 114 PRO HG2 122 VAL QQG 4.03 (#peak 1692)
&rst
ixpk= 1692, nxpk= 0, iat=1790,1899, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, &end
#
# 114 PRO HG2 125 PHE HD 7.50 (#peak 2592)
&rst
ixpk= 2592, nxpk= 0, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2=1956,1964,
&end
#
# 114 PRO HG3 115 VAL HN 4.97 (#peak 285)
&rst
ixpk= 285, nxpk= 0, iat=1791,1800, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 114 PRO HG3 127 LEU QQD 5.40 (#peak 1858)
&rst
ixpk= 1858, nxpk= 0, iat=1791,1993, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10, &end
#
# 114 PRO QB 115 VAL HN 3.76 (#peak 286)
&rst
ixpk= 286, nxpk= 0, iat= -1,1800, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1793,1794,
&end
#
# 114 PRO QB 122 VAL QQG 3.61 (#peak 1690)
&rst
ixpk= 1690, nxpk= 0, iat= -1,1899, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=1793,1794,
&end
#
# 114 PRO QB 127 LEU HG 3.92 (#peak 1548)
&rst
ixpk= 1548, nxpk= 0, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1793,1794,
&end
#
# 114 PRO QD 127 LEU QQD 4.21 (#peak 2711)
&rst
ixpk= 2711, nxpk= 0, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1787,1788,
&end
#
# 115 VAL HN 115 VAL HB 3.99 (#peak 283)
&rst
ixpk= 283, nxpk= 0, iat=1800,1804, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 115 VAL HN 115 VAL QG1 4.10 (#peak 278)
&rst
ixpk= 278, nxpk= 0, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1806,1807,1808,
&end
#
# 115 VAL HN 115 VAL QG2 4.10 (#peak 278)
&rst
ixpk= 278, nxpk= 0, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1810,1811,1812,
&end
#
# 115 VAL HN 115 VAL QQG 3.39 (#peak 278)
&rst
ixpk= 278, nxpk= 0, iat=1800,1803, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 115 VAL HN 116 LYS HN 4.63 (#peak 292)
&rst
ixpk= 292, nxpk= 0, iat=1800,1816, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 115 VAL HN 122 VAL HA 5.44 (#peak 1661)
&rst
ixpk= 1661, nxpk= 0, iat=1800,1898, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 115 VAL HN 122 VAL HB 5.50 (#peak 285)
&rst
ixpk= 285, nxpk= 0, iat=1800,1900, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 VAL HN 122 VAL QG1 5.50 (#peak 279 )
&rst
ixpk= 279, nxpk= 0, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1902,1903,1904,
&end
#
# 115 VAL HN 122 VAL QQG 3.48 (#peak 277)
&rst
ixpk= 277, nxpk= 0, iat=1800,1899, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 115 VAL HN 123 ILE QD1 5.18 (#peak 280)
&rst
ixpk= 280, nxpk= 0, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1925,1926,1927,
&end
#
# 115 VAL HN 124 MET HN 5.50 (#peak 291 )
&rst
ixpk= 291, nxpk= 0, iat=1800,1931, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 VAL HN 125 PHE HA 4.01 (#peak 289)
&rst
ixpk= 289, nxpk= 0, iat=1800,1950, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 115 VAL HN 125 PHE HD 6.24 (#peak 290)
&rst
ixpk= 290, nxpk= 0, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2=1956,1964,
&end
#
# 115 VAL HN 126 ILE HN 4.33 (#peak 558)
&rst
ixpk= 558, nxpk= 0, iat=1800,1968, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 115 VAL HA 116 LYS HN 2.69 (#peak 188)
&rst
ixpk= 188, nxpk= 0, iat=1802,1816, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 115 VAL HA 116 LYS QB 5.34 (#peak 1549)
&rst
ixpk= 1549, nxpk= 0, iat=1802, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1820,1821,
&end
#
# 115 VAL HA 126 ILE QD1 5.50 (#peak 1834)
&rst
ixpk= 1834, nxpk= 0, iat=1802, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1981,1982,1983,
&end
#
# 115 VAL HB 116 LYS HN 4.40 (#peak 187)
&rst
ixpk= 187, nxpk= 0, iat=1804,1816, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 115 VAL HB 124 MET HN 5.12 (#peak 748)
&rst
ixpk= 748, nxpk= 0, iat=1804,1931, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 115 VAL HB 124 MET HN 5.50 (#peak 747 )
&rst
ixpk= 747, nxpk= 0, iat=1804,1931, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 VAL QG1 116 LYS HN 4.30 (#peak 1556)
&rst
ixpk= 1556, nxpk= 0, iat= -1,1816, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1806,1807,1808,
&end
#
# 115 VAL QG1 126 ILE HN 4.37 (#peak 1557)
&rst
ixpk= 1557, nxpk= 0, iat= -1,1968, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1806,1807,1808,
&end
#
# 115 VAL QG1 126 ILE QD1 3.38 (#peak 1840)
&rst
ixpk= 1840, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1806,1807,1808,
igr2=1981,1982,1983,
&end
#
# 115 VAL QG2 116 LYS HN 4.30 (#peak 1556)
&rst
ixpk= 1556, nxpk= 0, iat= -1,1816, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1810,1811,1812,
&end
#
# 115 VAL QG2 126 ILE HN 4.37 (#peak 1557)
&rst
ixpk= 1557, nxpk= 0, iat= -1,1968, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1810,1811,1812,
&end
#
# 115 VAL QG2 126 ILE QD1 3.38 (#peak 1840)
&rst
ixpk= 1840, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1810,1811,1812,
igr2=1981,1982,1983,
&end
#
# 115 VAL QQG 116 LYS HN 3.59 (#peak 1556)
&rst
ixpk= 1556, nxpk= 0, iat=1803,1816, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 115 VAL QQG 123 ILE HG12 4.13 (#peak 1712)
&rst
ixpk= 1712, nxpk= 0, iat=1803,1922, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, &end
#
# 115 VAL QQG 124 MET HN 3.95 (#peak 756)
&rst
ixpk= 756, nxpk= 0, iat=1803,1931, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 115 VAL QQG 124 MET QB 3.18 (#peak 1564)
&rst
ixpk= 1564, nxpk= 0, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1935,1936,
&end
#
# 115 VAL QQG 124 MET QG 4.22 (#peak 2685)
&rst
ixpk= 2685, nxpk= 0, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2=1938,1939,
&end
#
# 115 VAL QQG 125 PHE HN 4.08 (#peak 1298)
&rst
ixpk= 1298, nxpk= 0, iat=1803,1948, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, &end
#
# 115 VAL QQG 125 PHE HA 3.46 (#peak 1562)
&rst
ixpk= 1562, nxpk= 0, iat=1803,1950, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 115 VAL QQG 126 ILE HN 3.61 (#peak 1557)
&rst
ixpk= 1557, nxpk= 0, iat=1803,1968, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 115 VAL QQG 126 ILE HB 3.81 (#peak 1802)
&rst
ixpk= 1802, nxpk= 0, iat=1803,1972, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 115 VAL QQG 126 ILE QD1 2.83 (#peak 1840)
&rst
ixpk= 1840, nxpk= 0, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1981,1982,1983,
&end
#
# 115 VAL QQG 126 ILE QG2 3.29 (#peak 1813)
&rst
ixpk= 1813, nxpk= 0, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1974,1975,1976,
&end
#
# 115 VAL QQG 128 ASN QD2 5.00 (#peak 1559)
&rst
ixpk= 1559, nxpk= 0, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=2015,2016,
&end
#
# 116 LYS HN 116 LYS HG2 4.50 (#peak 1575)
&rst
ixpk= 1575, nxpk= 0, iat=1816,1823, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 LYS HN 116 LYS HG3 4.50 (#peak 1576)
&rst
ixpk= 1576, nxpk= 0, iat=1816,1824, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 LYS HN 116 LYS QB 3.67 (#peak 186)
&rst
ixpk= 186, nxpk= 0, iat=1816, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1820,1821,
&end
#
# 116 LYS HN 116 LYS QG 3.90 (#peak 1575)
&rst
ixpk= 1575, nxpk= 0, iat=1816, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1823,1824,
&end
#
# 116 LYS HN 117 ASN HN 4.44 (#peak 1091)
&rst
ixpk= 1091, nxpk= 0, iat=1816,1838, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 116 LYS HN 122 VAL HA 4.62 (#peak 1664)
&rst
ixpk= 1664, nxpk= 0, iat=1816,1898, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 116 LYS HN 122 VAL QQG 5.15 (#peak 181)
&rst
ixpk= 181, nxpk= 0, iat=1816,1899, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85, &end
#
# 116 LYS HN 123 ILE QG2 5.50 (#peak 1279 )
&rst
ixpk= 1279, nxpk= 0, iat=1816, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1918,1919,1920,
&end
#
# 116 LYS HN 124 MET HN 5.50 (#peak 192)
&rst
ixpk= 192, nxpk= 0, iat=1816,1931, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LYS HN 124 MET HN 5.50 (#peak 736 )
&rst
ixpk= 736, nxpk= 0, iat=1816,1931, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LYS HA 117 ASN HN 2.98 (#peak 1097)
&rst
ixpk= 1097, nxpk= 0, iat=1818,1838, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 116 LYS HA 122 VAL HA 3.73 (#peak 1212)
&rst
ixpk= 1212, nxpk= 0, iat=1818,1898, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 116 LYS HA 122 VAL QG1 5.00 (#peak 1682)
&rst
ixpk= 1682, nxpk= 0, iat=1818, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1902,1903,1904,
&end
#
# 116 LYS HA 122 VAL QG2 5.00 (#peak 1681)
&rst
ixpk= 1681, nxpk= 0, iat=1818, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1906,1907,1908,
&end
#
# 116 LYS HA 122 VAL QQG 4.04 (#peak 1681)
&rst
ixpk= 1681, nxpk= 0, iat=1818,1899, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, &end
#
# 116 LYS HA 123 ILE QD1 4.64 (#peak 1727)
&rst
ixpk= 1727, nxpk= 0, iat=1818, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1925,1926,1927,
&end
#
# 116 LYS HA 123 ILE QG2 4.24 (#peak 1286)
&rst
ixpk= 1286, nxpk= 0, iat=1818, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1918,1919,1920,
&end
#
# 116 LYS HB2 121 ALA HA 5.50 (#peak 1643)
&rst
ixpk= 1643, nxpk= 0, iat=1820,1888, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LYS HB2 122 VAL HA 5.42 (#peak 1667)
&rst
ixpk= 1667, nxpk= 0, iat=1820,1898, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 116 LYS HB3 121 ALA HA 5.50 (#peak 1643)
&rst
ixpk= 1643, nxpk= 0, iat=1821,1888, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LYS HB3 122 VAL HA 5.42 (#peak 1667)
&rst
ixpk= 1667, nxpk= 0, iat=1821,1898, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 116 LYS HG2 117 ASN HN 4.39 (#peak 1102)
&rst
ixpk= 1102, nxpk= 0, iat=1823,1838, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 116 LYS HG3 117 ASN HN 4.39 (#peak 1104)
&rst
ixpk= 1104, nxpk= 0, iat=1824,1838, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 116 LYS QB 117 ASN HN 3.48 (#peak 1101)
&rst
ixpk= 1101, nxpk= 0, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1820,1821,
&end
#
# 116 LYS QB 119 ASP HN 5.50 (#peak 1209 )
&rst
ixpk= 1209, nxpk= 0, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1820,1821,
&end
#
# 116 LYS QB 120 GLY HN 3.55 (#peak 1618)
&rst
ixpk= 1618, nxpk= 0, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1820,1821,
&end
#
# 116 LYS QB 120 GLY QA 3.85 (#peak 1639)
&rst
ixpk= 1639, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1820,1821,
igr2=1881,1882,
&end
#
# 116 LYS QB 121 ALA HN 4.81 (#peak 356)
&rst
ixpk= 356, nxpk= 0, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1820,1821,
&end
#
# 116 LYS QB 122 VAL HA 4.56 (#peak 1667)
&rst
ixpk= 1667, nxpk= 0, iat= -1,1898, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1820,1821,
&end
#
# 116 LYS QG 117 ASN HN 3.86 (#peak 1104)
&rst
ixpk= 1104, nxpk= 0, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1823,1824,
&end
#
# 116 LYS QG 121 ALA HN 4.82 (#peak 358)
&rst
ixpk= 358, nxpk= 0, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1823,1824,
&end
#
# 116 LYS QG 122 VAL HN 5.00 (#peak 570)
&rst
ixpk= 570, nxpk= 0, iat= -1,1896, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1823,1824,
&end
#
# 116 LYS QG 122 VAL HA 4.69 (#peak 1713)
&rst
ixpk= 1713, nxpk= 0, iat= -1,1898, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1823,1824,
&end
#
# 117 ASN HN 117 ASN HB3 3.88 (#peak 1100)
&rst
ixpk= 1100, nxpk= 0, iat=1838,1843, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 117 ASN HN 117 ASN QD2 4.62 (#peak 1095)
&rst
ixpk= 1095, nxpk= 0, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1847,1848,
&end
#
# 117 ASN HN 118 GLU HN 4.71 (#peak 950)
&rst
ixpk= 950, nxpk= 0, iat=1838,1852, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 117 ASN HN 119 ASP HN 4.69 (#peak 1197)
&rst
ixpk= 1197, nxpk= 0, iat=1838,1867, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 117 ASN HN 120 GLY HN 4.64 (#peak 1619)
&rst
ixpk= 1619, nxpk= 0, iat=1838,1879, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 117 ASN HN 121 ALA HN 3.65 (#peak 349)
&rst
ixpk= 349, nxpk= 0, iat=1838,1886, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 117 ASN HN 121 ALA QB 4.20 (#peak 1650)
&rst
ixpk= 1650, nxpk= 0, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1890,1891,1892,
&end
#
# 117 ASN HN 122 VAL HA 4.03 (#peak 1098)
&rst
ixpk= 1098, nxpk= 0, iat=1838,1898, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 117 ASN HN 123 ILE QD1 4.22 (#peak 1106)
&rst
ixpk= 1106, nxpk= 0, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1925,1926,1927,
&end
#
# 117 ASN HN 123 ILE QG2 3.47 (#peak 1105)
&rst
ixpk= 1105, nxpk= 0, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1918,1919,1920,
&end
#
# 117 ASN HA 118 GLU HA 4.49 (#peak 236)
&rst
ixpk= 236, nxpk= 0, iat=1840,1854, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 117 ASN HA 118 GLU QB 4.88 (#peak 1594)
&rst
ixpk= 1594, nxpk= 0, iat=1840, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1856,1857,
&end
#
# 117 ASN HA 123 ILE QD1 4.11 (#peak 1726)
&rst
ixpk= 1726, nxpk= 0, iat=1840, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1925,1926,1927,
&end
#
# 117 ASN HB2 118 GLU HN 3.23 (#peak 946)
&rst
ixpk= 946, nxpk= 0, iat=1842,1852, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 117 ASN HB2 118 GLU HA 5.50 (#peak 237)
&rst
ixpk= 237, nxpk= 0, iat=1842,1854, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 ASN HB2 119 ASP HN 4.59 (#peak 1201)
&rst
ixpk= 1201, nxpk= 0, iat=1842,1867, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 117 ASN HB2 123 ILE QD1 4.31 (#peak 1723)
&rst
ixpk= 1723, nxpk= 0, iat=1842, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1925,1926,1927,
&end
#
# 117 ASN HB2 123 ILE QG2 4.10 (#peak 1291)
&rst
ixpk= 1291, nxpk= 0, iat=1842, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1918,1919,1920,
&end
#
# 117 ASN HB3 117 ASN HD21 3.86 (#peak 1422)
&rst
ixpk= 1422, nxpk= 0, iat=1843,1847, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 117 ASN HB3 117 ASN HD22 3.86 (#peak 1442)
&rst
ixpk= 1442, nxpk= 0, iat=1843,1848, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 117 ASN HB3 117 ASN QD2 3.39 (#peak 1442)
&rst
ixpk= 1442, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1847,1848,
&end
#
# 117 ASN HB3 118 GLU HN 4.20 (#peak 1603)
&rst
ixpk= 1603, nxpk= 0, iat=1843,1852, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 117 ASN HB3 123 ILE QD1 3.55 (#peak 1722)
&rst
ixpk= 1722, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1925,1926,1927,
&end
#
# 117 ASN HB3 123 ILE QG2 3.67 (#peak 1293)
&rst
ixpk= 1293, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1918,1919,1920,
&end
#
# 117 ASN HD21 121 ALA HN 4.32 (#peak 351)
&rst
ixpk= 351, nxpk= 0, iat=1847,1886, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 117 ASN HD21 121 ALA QB 3.52 (#peak 1426)
&rst
ixpk= 1426, nxpk= 0, iat=1847, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1890,1891,1892,
&end
#
# 117 ASN HD21 123 ILE QG2 3.73 (#peak 1283)
&rst
ixpk= 1283, nxpk= 0, iat=1847, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1918,1919,1920,
&end
#
# 117 ASN HD22 121 ALA HN 4.32 (#peak 348)
&rst
ixpk= 348, nxpk= 0, iat=1848,1886, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 117 ASN HD22 121 ALA QB 3.52 (#peak 1654)
&rst
ixpk= 1654, nxpk= 0, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1890,1891,1892,
&end
#
# 117 ASN HD22 123 ILE QG2 3.73 (#peak 1755)
&rst
ixpk= 1755, nxpk= 0, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1918,1919,1920,
&end
#
# 117 ASN QD2 118 GLU HN 5.05 (#peak 949)
&rst
ixpk= 949, nxpk= 0, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1847,1848,
&end
#
# 117 ASN QD2 119 ASP HN 4.13 (#peak 1194)
&rst
ixpk= 1194, nxpk= 0, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1847,1848,
&end
#
# 117 ASN QD2 121 ALA HN 3.78 (#peak 348)
&rst
ixpk= 348, nxpk= 0, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1847,1848,
&end
#
# 117 ASN QD2 121 ALA QB 3.06 (#peak 1654)
&rst
ixpk= 1654, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1847,1848,
igr2=1890,1891,1892,
&end
#
# 117 ASN QD2 123 ILE HN 4.67 (#peak 1764)
&rst
ixpk= 1764, nxpk= 0, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1847,1848,
&end
#
# 117 ASN QD2 123 ILE QD1 4.33 (#peak 1728)
&rst
ixpk= 1728, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1847,1848,
igr2=1925,1926,1927,
&end
#
# 118 GLU HN 118 GLU HB2 3.73 (#peak 954)
&rst
ixpk= 954, nxpk= 0, iat=1852,1856, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 118 GLU HN 118 GLU HB3 3.73 (#peak 952)
&rst
ixpk= 952, nxpk= 0, iat=1852,1857, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 118 GLU HN 118 GLU HG2 3.56 (#peak 947)
&rst
ixpk= 947, nxpk= 0, iat=1852,1859, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 118 GLU HN 118 GLU HG3 3.56 (#peak 951)
&rst
ixpk= 951, nxpk= 0, iat=1852,1860, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 118 GLU HN 118 GLU QB 3.10 (#peak 954)
&rst
ixpk= 954, nxpk= 0, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1856,1857,
&end
#
# 118 GLU HN 118 GLU QG 3.06 (#peak 951)
&rst
ixpk= 951, nxpk= 0, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2=1859,1860,
&end
#
# 118 GLU HN 119 ASP HN 3.36 (#peak 1195)
&rst
ixpk= 1195, nxpk= 0, iat=1852,1867, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 118 GLU HN 120 GLY HN 4.52 (#peak 1620)
&rst
ixpk= 1620, nxpk= 0, iat=1852,1879, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 118 GLU HN 123 ILE QD1 5.49 (#peak 953)
&rst
ixpk= 953, nxpk= 0, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1925,1926,1927,
&end
#
# 118 GLU HA 118 GLU HG2 3.94 (#peak 1615)
&rst
ixpk= 1615, nxpk= 0, iat=1854,1859, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 118 GLU HA 118 GLU HG3 3.94 (#peak 1611)
&rst
ixpk= 1611, nxpk= 0, iat=1854,1860, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 118 GLU HA 120 GLY HN 4.04 (#peak 408)
&rst
ixpk= 408, nxpk= 0, iat=1854,1879, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 118 GLU HB2 119 ASP HN 4.33 (#peak 1208)
&rst
ixpk= 1208, nxpk= 0, iat=1856,1867, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 118 GLU HB3 119 ASP HN 4.33 (#peak 1207)
&rst
ixpk= 1207, nxpk= 0, iat=1857,1867, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 118 GLU QB 119 ASP HN 3.77 (#peak 1207)
&rst
ixpk= 1207, nxpk= 0, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1856,1857,
&end
#
# 118 GLU QG 119 ASP HN 3.48 (#peak 1206)
&rst
ixpk= 1206, nxpk= 0, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1859,1860,
&end
#
# 119 ASP HN 119 ASP HB2 3.34 (#peak 1203)
&rst
ixpk= 1203, nxpk= 0, iat=1867,1871, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 119 ASP HN 119 ASP HB3 3.34 (#peak 1205)
&rst
ixpk= 1205, nxpk= 0, iat=1867,1872, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 119 ASP HN 119 ASP QB 2.85 (#peak 1205)
&rst
ixpk= 1205, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2=1871,1872,
&end
#
# 119 ASP HN 120 GLY HN 2.94 (#peak 1192)
&rst
ixpk= 1192, nxpk= 0, iat=1867,1879, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 119 ASP HN 120 GLY HA3 5.50 (#peak 1200 )
&rst
ixpk= 1200, nxpk= 0, iat=1867,1882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 ASP HN 120 GLY QA 5.33 (#peak 1202)
&rst
ixpk= 1202, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1881,1882,
&end
#
# 119 ASP HN 121 ALA HN 4.00 (#peak 1193)
&rst
ixpk= 1193, nxpk= 0, iat=1867,1886, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 119 ASP HN 121 ALA QB 4.96 (#peak 1210)
&rst
ixpk= 1210, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1890,1891,1892,
&end
#
# 119 ASP HA 121 ALA QB 5.50 (#peak 1656)
&rst
ixpk= 1656, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1890,1891,1892,
&end
#
# 119 ASP HB2 120 GLY HN 4.30 (#peak 410)
&rst
ixpk= 410, nxpk= 0, iat=1871,1879, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 119 ASP HB2 121 ALA HN 4.37 (#peak 354)
&rst
ixpk= 354, nxpk= 0, iat=1871,1886, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 119 ASP HB2 121 ALA QB 4.52 (#peak 1657)
&rst
ixpk= 1657, nxpk= 0, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1890,1891,1892,
&end
#
# 119 ASP HB3 120 GLY HN 4.30 (#peak 411)
&rst
ixpk= 411, nxpk= 0, iat=1872,1879, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 119 ASP HB3 121 ALA HN 4.37 (#peak 355)
&rst
ixpk= 355, nxpk= 0, iat=1872,1886, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 119 ASP HB3 121 ALA QB 4.52 (#peak 1658)
&rst
ixpk= 1658, nxpk= 0, iat=1872, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1890,1891,1892,
&end
#
# 119 ASP QB 120 GLY HN 3.77 (#peak 411)
&rst
ixpk= 411, nxpk= 0, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1871,1872,
&end
#
# 119 ASP QB 121 ALA HN 3.71 (#peak 355)
&rst
ixpk= 355, nxpk= 0, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1871,1872,
&end
#
# 119 ASP QB 121 ALA QB 3.87 (#peak 1658)
&rst
ixpk= 1658, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1871,1872,
igr2=1890,1891,1892,
&end
#
# 120 GLY HN 121 ALA HN 3.07 (#peak 405)
&rst
ixpk= 405, nxpk= 0, iat=1879,1886, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 120 GLY HN 121 ALA QB 4.31 (#peak 1651)
&rst
ixpk= 1651, nxpk= 0, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1890,1891,1892,
&end
#
# 121 ALA HN 121 ALA QB 2.59 (#peak 357)
&rst
ixpk= 357, nxpk= 0, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2=1890,1891,1892,
&end
#
# 121 ALA HN 122 VAL HN 4.76 (#peak 562)
&rst
ixpk= 562, nxpk= 0, iat=1886,1896, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 121 ALA HN 123 ILE QG2 4.81 (#peak 359)
&rst
ixpk= 359, nxpk= 0, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1918,1919,1920,
&end
#
# 121 ALA HA 122 VAL HN 2.69 (#peak 563)
&rst
ixpk= 563, nxpk= 0, iat=1888,1896, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 121 ALA HA 122 VAL HB 5.11 (#peak 1642)
&rst
ixpk= 1642, nxpk= 0, iat=1888,1900, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 121 ALA HA 122 VAL QQG 3.77 (#peak 1645)
&rst
ixpk= 1645, nxpk= 0, iat=1888,1899, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 121 ALA HA 123 ILE HN 5.38 (#peak 1648)
&rst
ixpk= 1648, nxpk= 0, iat=1888,1912, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 121 ALA QB 122 VAL HN 3.25 (#peak 1649)
&rst
ixpk= 1649, nxpk= 0, iat= -1,1896, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1=1890,1891,1892,
&end
#
# 121 ALA QB 122 VAL HB 5.50 (#peak 1659 )
&rst
ixpk= 1659, nxpk= 0, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1890,1891,1892,
&end
#
# 121 ALA QB 123 ILE QG2 3.14 (#peak 1660)
&rst
ixpk= 1660, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1890,1891,1892,
igr2=1918,1919,1920,
&end
#
# 122 VAL HN 122 VAL HB 2.86 (#peak 565)
&rst
ixpk= 565, nxpk= 0, iat=1896,1900, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 122 VAL HN 122 VAL QG1 3.78 (#peak 571)
&rst
ixpk= 571, nxpk= 0, iat=1896, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1902,1903,1904,
&end
#
# 122 VAL HN 122 VAL QG2 3.78 (#peak 1687)
&rst
ixpk= 1687, nxpk= 0, iat=1896, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1906,1907,1908,
&end
#
# 122 VAL HN 122 VAL QQG 2.75 (#peak 571)
&rst
ixpk= 571, nxpk= 0, iat=1896,1899, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 122 VAL HN 123 ILE HA 5.33 (#peak 1699)
&rst
ixpk= 1699, nxpk= 0, iat=1896,1914, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 122 VAL HA 122 VAL QG1 3.43 (#peak 1674)
&rst
ixpk= 1674, nxpk= 0, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1902,1903,1904,
&end
#
# 122 VAL HA 122 VAL QG2 3.43 (#peak 1675)
&rst
ixpk= 1675, nxpk= 0, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1906,1907,1908,
&end
#
# 122 VAL HA 124 MET HN 3.79 (#peak 744)
&rst
ixpk= 744, nxpk= 0, iat=1898,1931, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 122 VAL HB 124 MET HN 5.21 (#peak 746)
&rst
ixpk= 746, nxpk= 0, iat=1900,1931, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 122 VAL QG2 127 LEU HG 6.00 (#peak 1693 )
&rst
ixpk= 1693, nxpk= 0, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1906,1907,1908,
&end
#
# 122 VAL QQG 123 ILE HA 4.62 (#peak 1678)
&rst
ixpk= 1678, nxpk= 0, iat=1899,1914, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, &end
#
# 122 VAL QQG 124 MET HN 3.34 (#peak 760)
&rst
ixpk= 760, nxpk= 0, iat=1899,1931, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 122 VAL QQG 125 PHE HN 4.78 (#peak 1299)
&rst
ixpk= 1299, nxpk= 0, iat=1899,1948, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, &end
#
# 122 VAL QQG 125 PHE HA 4.39 (#peak 1680)
&rst
ixpk= 1680, nxpk= 0, iat=1899,1950, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, &end
#
# 122 VAL QQG 125 PHE HD 6.59 (#peak 1683)
&rst
ixpk= 1683, nxpk= 0, iat=1899, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr2=1956,1964,
&end
#
# 123 ILE HN 124 MET HN 3.51 (#peak 984)
&rst
ixpk= 984, nxpk= 0, iat=1912,1931, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 123 ILE HN 124 MET HA 5.26 (#peak 980)
&rst
ixpk= 980, nxpk= 0, iat=1912,1933, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 123 ILE HN 124 MET QE 5.50 (#peak 977)
&rst
ixpk= 977, nxpk= 0, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1942,1943,1944,
&end
#
# 123 ILE HA 123 ILE QD1 3.77 (#peak 1725)
&rst
ixpk= 1725, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1925,1926,1927,
&end
#
# 123 ILE HA 123 ILE QG2 3.41 (#peak 1288)
&rst
ixpk= 1288, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1918,1919,1920,
&end
#
# 123 ILE HB 123 ILE QD1 3.31 (#peak 1716)
&rst
ixpk= 1716, nxpk= 0, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1925,1926,1927,
&end
#
# 123 ILE HB 124 MET HN 4.47 (#peak 1707)
&rst
ixpk= 1707, nxpk= 0, iat=1916,1931, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 123 ILE HG12 124 MET HN 3.66 (#peak 751)
&rst
ixpk= 751, nxpk= 0, iat=1922,1931, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 123 ILE HG12 124 MET QB 4.10 (#peak 1711)
&rst
ixpk= 1711, nxpk= 0, iat=1922, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1935,1936,
&end
#
# 123 ILE HG12 124 MET QG 4.03 (#peak 2204)
&rst
ixpk= 2204, nxpk= 0, iat=1922, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1938,1939,
&end
#
# 123 ILE HG13 124 MET HN 4.48 (#peak 1578)
&rst
ixpk= 1578, nxpk= 0, iat=1923,1931, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 123 ILE QD1 124 MET HN 4.16 (#peak 1731)
&rst
ixpk= 1731, nxpk= 0, iat= -1,1931, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1925,1926,1927,
&end
#
# 123 ILE QD1 124 MET QB 3.90 (#peak 1739)
&rst
ixpk= 1739, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1925,1926,1927,
igr2=1935,1936,
&end
#
# 123 ILE QD1 124 MET QE 5.00 (#peak 1721 )
&rst
ixpk= 1721, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1925,1926,1927,
igr2=1942,1943,1944,
&end
#
# 123 ILE QD1 124 MET QG 4.88 (#peak 1740)
&rst
ixpk= 1740, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1925,1926,1927,
igr2=1938,1939,
&end
#
# 123 ILE QD1 125 PHE HN 5.50 (#peak 1730)
&rst
ixpk= 1730, nxpk= 0, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1925,1926,1927,
&end
#
# 123 ILE QD1 126 ILE QD1 5.00 (#peak 1841 )
&rst
ixpk= 1841, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1925,1926,1927,
igr2=1981,1982,1983,
&end
#
# 123 ILE QG2 123 ILE HG12 3.89 (#peak 1297)
&rst
ixpk= 1297, nxpk= 0, iat= -1,1922, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1918,1919,1920,
&end
#
# 123 ILE QG2 123 ILE QD1 2.83 (#peak 1718)
&rst
ixpk= 1718, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1918,1919,1920,
igr2=1925,1926,1927,
&end
#
# 123 ILE QG2 124 MET HN 3.93 (#peak 755)
&rst
ixpk= 755, nxpk= 0, iat= -1,1931, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1918,1919,1920,
&end
#
# 123 ILE QG2 124 MET QE 4.72 (#peak 1294)
&rst
ixpk= 1294, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1918,1919,1920,
igr2=1942,1943,1944,
&end
#
# 124 MET HN 124 MET QE 4.51 (#peak 2970)
&rst
ixpk= 2970, nxpk= 0, iat=1931, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1942,1943,1944,
&end
#
# 124 MET HN 125 PHE HN 5.50 (#peak 736 )
&rst
ixpk= 736, nxpk= 0, iat=1931,1948, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 MET HA 124 MET QE 4.10 (#peak 2969)
&rst
ixpk= 2969, nxpk= 0, iat=1933, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1942,1943,1944,
&end
#
# 124 MET HA 124 MET QG 3.73 (#peak 1746)
&rst
ixpk= 1746, nxpk= 0, iat=1933, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1938,1939,
&end
#
# 124 MET HA 125 PHE HN 3.40 (#peak 1290)
&rst
ixpk= 1290, nxpk= 0, iat=1933,1948, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 124 MET HB2 125 PHE HN 4.31 (#peak 1293)
&rst
ixpk= 1293, nxpk= 0, iat=1935,1948, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 124 MET HB2 126 ILE HB 5.50 (#peak 1800 )
&rst
ixpk= 1800, nxpk= 0, iat=1935,1972, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 MET HB3 125 PHE HN 4.31 (#peak 1294)
&rst
ixpk= 1294, nxpk= 0, iat=1936,1948, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 124 MET HG2 124 MET QE 3.51 (#peak 2965)
&rst
ixpk= 2965, nxpk= 0, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1942,1943,1944,
&end
#
# 124 MET HG3 124 MET QE 3.51 (#peak 2966)
&rst
ixpk= 2966, nxpk= 0, iat=1939, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1942,1943,1944,
&end
#
# 124 MET QB 125 PHE HN 3.69 (#peak 1293)
&rst
ixpk= 1293, nxpk= 0, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1935,1936,
&end
#
# 124 MET QB 125 PHE HA 4.96 (#peak 1781)
&rst
ixpk= 1781, nxpk= 0, iat= -1,1950, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1935,1936,
&end
#
# 124 MET QB 126 ILE HN 4.19 (#peak 546)
&rst
ixpk= 546, nxpk= 0, iat= -1,1968, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1935,1936,
&end
#
# 124 MET QB 126 ILE QD1 3.89 (#peak 1835)
&rst
ixpk= 1835, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1935,1936,
igr2=1981,1982,1983,
&end
#
# 124 MET QE 125 PHE HN 4.88 (#peak 2972)
&rst
ixpk= 2972, nxpk= 0, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1942,1943,1944,
&end
#
# 124 MET QG 124 MET QE 3.06 (#peak 2966)
&rst
ixpk= 2966, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1938,1939,
igr2=1942,1943,1944,
&end
#
# 125 PHE HN 125 PHE HB2 3.72 (#peak 1292)
&rst
ixpk= 1292, nxpk= 0, iat=1948,1952, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 125 PHE HN 125 PHE HB3 3.91 (#peak 1291)
&rst
ixpk= 1291, nxpk= 0, iat=1948,1953, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 125 PHE HN 125 PHE HD 6.05 (#peak 1289)
&rst
ixpk= 1289, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1956,1964,
&end
#
# 125 PHE HN 126 ILE HN 4.15 (#peak 557)
&rst
ixpk= 557, nxpk= 0, iat=1948,1968, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 125 PHE HA 125 PHE HD 6.29 (#peak 1786)
&rst
ixpk= 1786, nxpk= 0, iat=1950, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2=1956,1964,
&end
#
# 125 PHE HA 126 ILE HN 3.19 (#peak 537)
&rst
ixpk= 537, nxpk= 0, iat=1950,1968, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 125 PHE HA 126 ILE HB 5.50 (#peak 1798)
&rst
ixpk= 1798, nxpk= 0, iat=1950,1972, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 PHE HA 127 LEU QQD 4.80 (#peak 1782)
&rst
ixpk= 1782, nxpk= 0, iat=1950,1993, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 125 PHE HB2 126 ILE HN 4.85 (#peak 545)
&rst
ixpk= 545, nxpk= 0, iat=1952,1968, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 125 PHE HB2 127 LEU QQD 4.58 (#peak 1794)
&rst
ixpk= 1794, nxpk= 0, iat=1952,1993, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, &end
#
# 125 PHE HB3 127 LEU HN 5.00 (#peak 156)
&rst
ixpk= 156, nxpk= 0, iat=1953,1987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 PHE HB3 127 LEU QQD 3.59 (#peak 1875)
&rst
ixpk= 1875, nxpk= 0, iat=1953,1993, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 125 PHE HD 126 ILE HN 6.09 (#peak 553)
&rst
ixpk= 553, nxpk= 0, iat= -1,1968, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1=1956,1964,
&end
#
# 125 PHE HD 127 LEU QQD 6.26 (#peak 1870)
&rst
ixpk= 1870, nxpk= 0, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 9.23, r4= 9.73,
igr1=1956,1964,
&end
#
# 126 ILE HN 126 ILE HB 3.35 (#peak 547)
&rst
ixpk= 547, nxpk= 0, iat=1968,1972, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 126 ILE HN 126 ILE QD1 3.93 (#peak 552)
&rst
ixpk= 552, nxpk= 0, iat=1968, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1981,1982,1983,
&end
#
# 126 ILE HN 126 ILE QG2 3.93 (#peak 1827)
&rst
ixpk= 1827, nxpk= 0, iat=1968, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1974,1975,1976,
&end
#
# 126 ILE HN 127 LEU HN 4.56 (#peak 130)
&rst
ixpk= 130, nxpk= 0, iat=1968,1987, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 126 ILE HA 126 ILE QD1 4.16 (#peak 1832)
&rst
ixpk= 1832, nxpk= 0, iat=1970, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1981,1982,1983,
&end
#
# 126 ILE HA 126 ILE QG2 3.61 (#peak 1816)
&rst
ixpk= 1816, nxpk= 0, iat=1970, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1974,1975,1976,
&end
#
# 126 ILE HB 126 ILE QD1 3.74 (#peak 1837)
&rst
ixpk= 1837, nxpk= 0, iat=1972, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1981,1982,1983,
&end
#
# 126 ILE QD1 128 ASN HN 6.00 (#peak 688 )
&rst
ixpk= 688, nxpk= 0, iat= -1,2006, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1981,1982,1983,
&end
#
# 126 ILE QG2 127 LEU HN 3.87 (#peak 1826)
&rst
ixpk= 1826, nxpk= 0, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1974,1975,1976,
&end
#
# 126 ILE QG2 127 LEU HA 4.54 (#peak 1818)
&rst
ixpk= 1818, nxpk= 0, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1974,1975,1976,
&end
#
# 126 ILE QG2 128 ASN HN 4.97 (#peak 1825)
&rst
ixpk= 1825, nxpk= 0, iat= -1,2006, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1974,1975,1976,
&end
#
# 126 ILE QG2 128 ASN HA 4.53 (#peak 1819)
&rst
ixpk= 1819, nxpk= 0, iat= -1,2008, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1974,1975,1976,
&end
#
# 126 ILE QG2 128 ASN HB2 5.50 (#peak 1807)
&rst
ixpk= 1807, nxpk= 0, iat= -1,2010, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1974,1975,1976,
&end
#
# 126 ILE QG2 128 ASN HB3 5.50 (#peak 1808)
&rst
ixpk= 1808, nxpk= 0, iat= -1,2011, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1974,1975,1976,
&end
#
# 126 ILE QG2 128 ASN HD21 4.30 (#peak 1823)
&rst
ixpk= 1823, nxpk= 0, iat= -1,2015, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1974,1975,1976,
&end
#
# 126 ILE QG2 128 ASN HD22 4.30 (#peak 1450)
&rst
ixpk= 1450, nxpk= 0, iat= -1,2016, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1974,1975,1976,
&end
#
# 127 LEU HN 127 LEU HG 3.90 (#peak 121)
&rst
ixpk= 121, nxpk= 0, iat=1987,1994, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 127 LEU HN 127 LEU QD1 4.91 (#peak 1849)
&rst
ixpk= 1849, nxpk= 0, iat=1987, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1996,1997,1998,
&end
#
# 127 LEU HN 127 LEU QD2 4.91 (#peak 152)
&rst
ixpk= 152, nxpk= 0, iat=1987, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2000,2001,2002,
&end
#
# 127 LEU HN 127 LEU QQD 3.37 (#peak 152)
&rst
ixpk= 152, nxpk= 0, iat=1987,1993, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 127 LEU HN 128 ASN HN 4.77 (#peak 129)
&rst
ixpk= 129, nxpk= 0, iat=1987,2006, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 127 LEU HN 129 PHE HD 6.56 (#peak 127)
&rst
ixpk= 127, nxpk= 0, iat=1987, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr2=2028,2036,
&end
#
# 127 LEU HA 127 LEU HG 4.03 (#peak 1843)
&rst
ixpk= 1843, nxpk= 0, iat=1989,1994, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 127 LEU HA 127 LEU QD1 3.98 (#peak 1845)
&rst
ixpk= 1845, nxpk= 0, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1996,1997,1998,
&end
#
# 127 LEU HA 127 LEU QD2 3.98 (#peak 1871)
&rst
ixpk= 1871, nxpk= 0, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=2000,2001,2002,
&end
#
# 127 LEU HA 127 LEU QQD 3.48 (#peak 1845)
&rst
ixpk= 1845, nxpk= 0, iat=1989,1993, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 127 LEU HA 128 ASN HN 3.03 (#peak 670)
&rst
ixpk= 670, nxpk= 0, iat=1989,2006, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 127 LEU HG 128 ASN HN 5.50 (#peak 1863)
&rst
ixpk= 1863, nxpk= 0, iat=1994,2006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 LEU QQD 128 ASN HN 3.77 (#peak 684)
&rst
ixpk= 684, nxpk= 0, iat=1993,2006, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 128 ASN HN 128 ASN HB2 3.48 (#peak 680)
&rst
ixpk= 680, nxpk= 0, iat=2006,2010, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 128 ASN HN 128 ASN HB3 3.71 (#peak 681)
&rst
ixpk= 681, nxpk= 0, iat=2006,2011, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 128 ASN HN 128 ASN HD21 4.50 (#peak 672)
&rst
ixpk= 672, nxpk= 0, iat=2006,2015, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 128 ASN HN 128 ASN HD22 4.50 (#peak 1446)
&rst
ixpk= 1446, nxpk= 0, iat=2006,2016, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 128 ASN HN 128 ASN QD2 3.95 (#peak 672)
&rst
ixpk= 672, nxpk= 0, iat=2006, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=2015,2016,
&end
#
# 128 ASN HN 129 PHE HN 4.44 (#peak 675)
&rst
ixpk= 675, nxpk= 0, iat=2006,2020, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 128 ASN HA 129 PHE HN 3.16 (#peak 536)
&rst
ixpk= 536, nxpk= 0, iat=2008,2020, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 128 ASN HA 129 PHE HB2 4.85 (#peak 2696)
&rst
ixpk= 2696, nxpk= 0, iat=2008,2024, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 128 ASN HA 129 PHE HD 6.50 (#peak 2697)
&rst
ixpk= 2697, nxpk= 0, iat=2008, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=2028,2036,
&end
#
# 128 ASN HB2 128 ASN HD21 3.76 (#peak 1441)
&rst
ixpk= 1441, nxpk= 0, iat=2010,2015, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 128 ASN HB2 128 ASN HD22 3.76 (#peak 1447)
&rst
ixpk= 1447, nxpk= 0, iat=2010,2016, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 128 ASN HB2 129 PHE HN 4.58 (#peak 2249)
&rst
ixpk= 2249, nxpk= 0, iat=2010,2020, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 128 ASN HB3 128 ASN QD2 3.51 (#peak 1448)
&rst
ixpk= 1448, nxpk= 0, iat=2011, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=2015,2016,
&end
#
# 128 ASN HB3 129 PHE HN 4.03 (#peak 544)
&rst
ixpk= 544, nxpk= 0, iat=2011,2020, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 129 PHE HN 129 PHE HB2 3.81 (#peak 541)
&rst
ixpk= 541, nxpk= 0, iat=2020,2024, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 129 PHE HN 129 PHE HB3 3.72 (#peak 543)
&rst
ixpk= 543, nxpk= 0, iat=2020,2025, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 129 PHE HN 129 PHE HD 5.29 (#peak 556)
&rst
ixpk= 556, nxpk= 0, iat=2020, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=2028,2036,
&end
#
# 129 PHE HN 130 GLU HN 4.61 (#peak 443)
&rst
ixpk= 443, nxpk= 0, iat=2020,2040, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 129 PHE HA 129 PHE HD 6.29 (#peak 1883)
&rst
ixpk= 1883, nxpk= 0, iat=2022, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2=2028,2036,
&end
#
# 129 PHE HA 130 GLU HN 3.11 (#peak 435)
&rst
ixpk= 435, nxpk= 0, iat=2022,2040, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 129 PHE HA 130 GLU HB3 5.24 (#peak 1882)
&rst
ixpk= 1882, nxpk= 0, iat=2022,2045, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 129 PHE HB2 130 GLU HN 4.66 (#peak 444)
&rst
ixpk= 444, nxpk= 0, iat=2024,2040, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 129 PHE HB3 130 GLU HN 4.49 (#peak 1670)
&rst
ixpk= 1670, nxpk= 0, iat=2025,2040, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 129 PHE HD 130 GLU HN 6.81 (#peak 438)
&rst
ixpk= 438, nxpk= 0, iat= -1,2040, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2028,2036,
&end
#
# 130 GLU HN 130 GLU HB3 3.26 (#peak 448)
&rst
ixpk= 448, nxpk= 0, iat=2040,2045, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 130 GLU HN 130 GLU HG2 4.10 (#peak 447)
&rst
ixpk= 447, nxpk= 0, iat=2040,2047, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 130 GLU HN 130 GLU HG3 4.30 (#peak 1911)
&rst
ixpk= 1911, nxpk= 0, iat=2040,2048, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 130 GLU HN 131 VAL HN 5.18 (#peak 207)
&rst
ixpk= 207, nxpk= 0, iat=2040,2055, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 130 GLU HA 130 GLU HG2 3.82 (#peak 1908)
&rst
ixpk= 1908, nxpk= 0, iat=2042,2047, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 130 GLU HA 130 GLU HG3 3.87 (#peak 1907)
&rst
ixpk= 1907, nxpk= 0, iat=2042,2048, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 130 GLU HA 131 VAL HN 3.41 (#peak 1894)
&rst
ixpk= 1894, nxpk= 0, iat=2042,2055, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 130 GLU HA 131 VAL HB 5.50 (#peak 1925 )
&rst
ixpk= 1925, nxpk= 0, iat=2042,2059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 GLU HA 131 VAL QQG 3.74 (#peak 1931)
&rst
ixpk= 1931, nxpk= 0, iat=2042,2058, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 130 GLU HB2 130 GLU HG3 2.76 (#peak 1919)
&rst
ixpk= 1919, nxpk= 0, iat=2044,2048, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 130 GLU HB2 131 VAL HN 4.00 (#peak 202)
&rst
ixpk= 202, nxpk= 0, iat=2044,2055, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 130 GLU HB3 130 GLU HG2 2.62 (#peak 1920)
&rst
ixpk= 1920, nxpk= 0, iat=2045,2047, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 130 GLU HG2 131 VAL HN 5.17 (#peak 1910)
&rst
ixpk= 1910, nxpk= 0, iat=2047,2055, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 130 GLU HG3 131 VAL HN 4.50 (#peak 203)
&rst
ixpk= 203, nxpk= 0, iat=2048,2055, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 130 GLU HG3 132 VAL QQG 4.08 (#peak 1913)
&rst
ixpk= 1913, nxpk= 0, iat=2048,2074, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, &end
#
# 130 GLU QB 131 VAL QG1 5.50 (#peak 1902 )
&rst
ixpk= 1902, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2044,2045,
igr2=2061,2062,2063,
&end
#
# 130 GLU QB 132 VAL HA 5.50 (#peak 1898 )
&rst
ixpk= 1898, nxpk= 0, iat= -1,2073, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2044,2045,
&end
#
# 130 GLU QB 132 VAL QQG 5.50 (#peak 1963 )
&rst
ixpk= 1963, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr1=2044,2045,
&end
#
# 131 VAL HN 131 VAL HB 2.92 (#peak 201)
&rst
ixpk= 201, nxpk= 0, iat=2055,2059, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 131 VAL HN 131 VAL QG1 3.86 (#peak 199)
&rst
ixpk= 199, nxpk= 0, iat=2055, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=2061,2062,2063,
&end
#
# 131 VAL HN 131 VAL QG2 3.86 (#peak 1955)
&rst
ixpk= 1955, nxpk= 0, iat=2055, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=2065,2066,2067,
&end
#
# 131 VAL HN 131 VAL QQG 2.89 (#peak 199)
&rst
ixpk= 199, nxpk= 0, iat=2055,2058, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 131 VAL HN 132 VAL HN 5.50 (#peak 207)
&rst
ixpk= 207, nxpk= 0, iat=2055,2071, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 VAL HN 132 VAL QQG 4.76 (#peak 198)
&rst
ixpk= 198, nxpk= 0, iat=2055,2074, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46, &end
#
# 131 VAL HA 131 VAL QG1 3.36 (#peak 1932)
&rst
ixpk= 1932, nxpk= 0, iat=2057, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2061,2062,2063,
&end
#
# 131 VAL HA 131 VAL QG2 3.36 (#peak 1947)
&rst
ixpk= 1947, nxpk= 0, iat=2057, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2065,2066,2067,
&end
#
# 131 VAL HA 132 VAL HN 2.96 (#peak 53)
&rst
ixpk= 53, nxpk= 0, iat=2057,2071, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 131 VAL HA 132 VAL QQG 3.75 (#peak 2680)
&rst
ixpk= 2680, nxpk= 0, iat=2057,2074, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 131 VAL HB 132 VAL HN 4.65 (#peak 59)
&rst
ixpk= 59, nxpk= 0, iat=2059,2071, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 131 VAL HB 132 VAL HA 5.00 (#peak 1928)
&rst
ixpk= 1928, nxpk= 0, iat=2059,2073, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 131 VAL QG1 132 VAL HN 4.41 (#peak 1938)
&rst
ixpk= 1938, nxpk= 0, iat= -1,2071, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2061,2062,2063,
&end
#
# 131 VAL QG2 132 VAL HN 4.41 (#peak 1953)
&rst
ixpk= 1953, nxpk= 0, iat= -1,2071, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2065,2066,2067,
&end
#
# 131 VAL QQG 132 VAL HN 3.33 (#peak 1953)
&rst
ixpk= 1953, nxpk= 0, iat=2058,2071, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 131 VAL QQG 132 VAL HA 4.48 (#peak 1948)
&rst
ixpk= 1948, nxpk= 0, iat=2058,2073, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, &end
#
# 131 VAL QQG 133 MET HN 4.31 (#peak 461)
&rst
ixpk= 461, nxpk= 0, iat=2058,2087, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, &end
#
# 132 VAL HN 132 VAL QQG 3.09 (#peak 64)
&rst
ixpk= 64, nxpk= 0, iat=2071,2074, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 132 VAL HN 133 MET HN 4.45 (#peak 56)
&rst
ixpk= 56, nxpk= 0, iat=2071,2087, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 132 VAL HA 132 VAL QG1 3.64 (#peak 28)
&rst
ixpk= 28, nxpk= 0, iat=2073, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=2077,2078,2079,
&end
#
# 132 VAL HA 132 VAL QG2 3.64 (#peak 28)
&rst
ixpk= 28, nxpk= 0, iat=2073, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=2081,2082,2083,
&end
#
# 132 VAL HA 133 MET HN 2.70 (#peak 452)
&rst
ixpk= 452, nxpk= 0, iat=2073,2087, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 132 VAL HB 133 MET HN 4.27 (#peak 426)
&rst
ixpk= 426, nxpk= 0, iat=2075,2087, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 132 VAL QG2 134 GLU HN 5.50 (#peak 472 )
&rst
ixpk= 472, nxpk= 0, iat= -1,2104, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2081,2082,2083,
&end
#
# 132 VAL QQG 133 MET HN 3.30 (#peak 462)
&rst
ixpk= 462, nxpk= 0, iat=2074,2087, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 VAL QQG 133 MET HA 3.96 (#peak 1958)
&rst
ixpk= 1958, nxpk= 0, iat=2074,2089, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 133 MET HN 133 MET HG2 4.17 (#peak 2827)
&rst
ixpk= 2827, nxpk= 0, iat=2087,2094, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 133 MET HN 133 MET HG3 4.17 (#peak 457)
&rst
ixpk= 457, nxpk= 0, iat=2087,2095, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 133 MET HN 133 MET QG 3.52 (#peak 457)
&rst
ixpk= 457, nxpk= 0, iat=2087, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=2094,2095,
&end
#
# 133 MET HN 134 GLU HN 4.38 (#peak 455)
&rst
ixpk= 455, nxpk= 0, iat=2087,2104, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 133 MET HA 133 MET HG2 3.97 (#peak 2822)
&rst
ixpk= 2822, nxpk= 0, iat=2089,2094, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 133 MET HA 133 MET HG3 3.97 (#peak 2823)
&rst
ixpk= 2823, nxpk= 0, iat=2089,2095, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 133 MET HA 133 MET QE 4.58 (#peak 2974)
&rst
ixpk= 2974, nxpk= 0, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2098,2099,2100,
&end
#
# 133 MET HA 134 GLU HN 2.80 (#peak 465)
&rst
ixpk= 465, nxpk= 0, iat=2089,2104, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 133 MET QB 134 GLU HN 2.79 (#peak 468)
&rst
ixpk= 468, nxpk= 0, iat= -1,2104, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr1=2091,2092,
&end
#
# 133 MET QG 134 GLU HN 4.53 (#peak 470)
&rst
ixpk= 470, nxpk= 0, iat= -1,2104, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=2094,2095,
&end
#
# 134 GLU HN 134 GLU HB2 3.97 (#peak 1981)
&rst
ixpk= 1981, nxpk= 0, iat=2104,2108, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 134 GLU HN 134 GLU HB3 3.97 (#peak 469)
&rst
ixpk= 469, nxpk= 0, iat=2104,2109, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 134 GLU HN 134 GLU HG2 3.42 (#peak 1773)
&rst
ixpk= 1773, nxpk= 0, iat=2104,2111, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 134 GLU HN 134 GLU HG3 3.42 (#peak 1772)
&rst
ixpk= 1772, nxpk= 0, iat=2104,2112, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 134 GLU HN 134 GLU QB 3.21 (#peak 469)
&rst
ixpk= 469, nxpk= 0, iat=2104, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2108,2109,
&end
#
# 134 GLU HN 134 GLU QG 2.99 (#peak 1772)
&rst
ixpk= 1772, nxpk= 0, iat=2104, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2111,2112,
&end
#
# 134 GLU HN 135 LYS HN 5.00 (#peak 464 )
&rst
ixpk= 464, nxpk= 0, iat=2104,2119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 GLU HA 134 GLU HG2 3.86 (#peak 2795)
&rst
ixpk= 2795, nxpk= 0, iat=2106,2111, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 134 GLU HA 134 GLU HG3 3.86 (#peak 2796)
&rst
ixpk= 2796, nxpk= 0, iat=2106,2112, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 134 GLU HA 135 LYS HN 2.58 (#peak 576)
&rst
ixpk= 576, nxpk= 0, iat=2106,2119, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08, &end
#
# 134 GLU QB 135 LYS HN 3.08 (#peak 578)
&rst
ixpk= 578, nxpk= 0, iat= -1,2119, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=2108,2109,
&end
#
# 134 GLU QG 135 LYS HN 4.37 (#peak 577)
&rst
ixpk= 577, nxpk= 0, iat= -1,2119, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=2111,2112,
&end
#
# 135 LYS HN 135 LYS HB2 3.63 (#peak 581)
&rst
ixpk= 581, nxpk= 0, iat=2119,2123, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 135 LYS HN 135 LYS HB3 3.63 (#peak 580)
&rst
ixpk= 580, nxpk= 0, iat=2119,2124, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 135 LYS HN 135 LYS QB 2.98 (#peak 581)
&rst
ixpk= 581, nxpk= 0, iat=2119, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=2123,2124,
&end
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