NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
476071 |
2kmv   |
16440 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 3 THR HN 3 THR QG2 4.66 (#peak 1629)
&rst
ixpk= 1629, nxpk= 0, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
igr2= 41, 42, 43,
&end
#
# 3 THR HA 3 THR QG2 4.05 (#peak 3266)
&rst
ixpk= 3266, nxpk= 0, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 41, 42, 43,
&end
#
# 3 THR HB 4 MET HN 5.96 (#peak 56)
&rst
ixpk= 56, nxpk= 0, iat= 39, 49, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 3 THR QG2 4 MET HN 5.56 (#peak 58)
&rst
ixpk= 58, nxpk= 0, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 41, 42, 43,
&end
#
# 4 MET QG 5 HIS HA 6.15 (#peak 6254)
&rst
ixpk= 6254, nxpk= 0, iat= -1, 68, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 56, 57,
&end
#
# 5 HIS HB2 6 GLY HA3 5.49 (#peak 6202)
&rst
ixpk= 6202, nxpk= 0, iat= 70, 86, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 6 GLY HN 7 THR HN 5.22 (#peak 1756)
&rst
ixpk= 1756, nxpk= 0, iat= 83, 90, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 7 THR HN 185 THR HN 5.25 (#peak 2752)
&rst
ixpk= 2752, nxpk= 0, iat= 90,2808, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 7 THR HN 7 THR QG2 4.08 (#peak 1753)
&rst
ixpk= 1753, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 96, 97, 98,
&end
#
# 7 THR HA 7 THR QG2 3.92 (#peak 2540)
&rst
ixpk= 2540, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 96, 97, 98,
&end
#
# 7 THR HA 8 PRO QG 5.76 (#peak 5477)
&rst
ixpk= 5477, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 108, 109,
&end
#
# 7 THR QG2 8 PRO HD2 4.61 (#peak 5474)
&rst
ixpk= 5474, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 96, 97, 98,
&end
#
# 7 THR QG2 8 PRO HD3 4.54 (#peak 5558)
&rst
ixpk= 5558, nxpk= 0, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 96, 97, 98,
&end
#
# 8 PRO HB2 42 LEU QD2 4.29 (#peak 6431)
&rst
ixpk= 6431, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 642, 643, 644,
&end
#
# 8 PRO HB3 42 LEU QD1 4.49 (#peak 6433)
&rst
ixpk= 6433, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 638, 639, 640,
&end
#
# 8 PRO HB3 42 LEU QD2 3.81 (#peak 6432)
&rst
ixpk= 6432, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 642, 643, 644,
&end
#
# 9 VAL HN 182 ILE QD1 6.15 (#peak 2770)
&rst
ixpk= 2770, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2780,2781,2782,
&end
#
# 9 VAL HN 182 ILE QG2 4.77 (#peak 2769)
&rst
ixpk= 2769, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=2773,2774,2775,
&end
#
# 9 VAL HN 183 ALA HN 5.14 (#peak 2753)
&rst
ixpk= 2753, nxpk= 0, iat= 118,2786, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 9 VAL HN 183 ALA QB 5.19 (#peak 2754)
&rst
ixpk= 2754, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=2790,2791,2792,
&end
#
# 9 VAL HN 184 ASP HA 4.74 (#peak 2743)
&rst
ixpk= 2743, nxpk= 0, iat= 118,2798, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 9 VAL HN 9 VAL QQG 6.15 (#peak 229)
&rst
ixpk= 229, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 9 VAL HA 10 VAL HB 5.67 (#peak 5912)
&rst
ixpk= 5912, nxpk= 0, iat= 120, 138, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 9 VAL HA 10 VAL QG1 5.97 (#peak 5479)
&rst
ixpk= 5479, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2= 140, 141, 142,
&end
#
# 9 VAL HA 9 VAL QQG 3.53 (#peak 4272)
&rst
ixpk= 4272, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 9 VAL HB 10 VAL HN 6.15 (#peak 1205)
&rst
ixpk= 1205, nxpk= 0, iat= 122, 134, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 9 VAL QQG 10 VAL HN 4.12 (#peak 1197)
&rst
ixpk= 1197, nxpk= 0, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 9 VAL QQG 184 ASP HA 5.03 (#peak 6279)
&rst
ixpk= 6279, nxpk= 0, iat= -1,2798, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 10 VAL HN 10 VAL QG1 4.32 (#peak 1200)
&rst
ixpk= 1200, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 140, 141, 142,
&end
#
# 10 VAL HN 10 VAL QG2 4.45 (#peak 1196)
&rst
ixpk= 1196, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 144, 145, 146,
&end
#
# 10 VAL HN 11 ASN HN 5.59 (#peak 1124)
&rst
ixpk= 1124, nxpk= 0, iat= 134, 150, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 10 VAL HA 11 ASN HN 3.56 (#peak 1118)
&rst
ixpk= 1118, nxpk= 0, iat= 136, 150, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 10 VAL HA 12 GLN HN 4.41 (#peak 2601)
&rst
ixpk= 2601, nxpk= 0, iat= 136, 164, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 10 VAL HA 182 ILE HA 4.94 (#peak 6255)
&rst
ixpk= 6255, nxpk= 0, iat= 136,2769, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 10 VAL HA 183 ALA HN 6.15 (#peak 2675)
&rst
ixpk= 2675, nxpk= 0, iat= 136,2786, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 10 VAL HB 11 ASN HN 5.89 (#peak 1123)
&rst
ixpk= 1123, nxpk= 0, iat= 138, 150, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 10 VAL HB 12 GLN HN 6.15 (#peak 2603)
&rst
ixpk= 2603, nxpk= 0, iat= 138, 164, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 10 VAL HB 49 TYR QB 6.15 (#peak 5646)
&rst
ixpk= 5646, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 738, 739,
&end
#
# 10 VAL HB 49 TYR QD 5.29 (#peak 5809)
&rst
ixpk= 5809, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 742, 751,
&end
#
# 10 VAL QG1 11 ASN HN 4.68 (#peak 1119)
&rst
ixpk= 1119, nxpk= 0, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 140, 141, 142,
&end
#
# 10 VAL QG1 49 TYR QB 5.06 (#peak 5645)
&rst
ixpk= 5645, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 140, 141, 142,
igr2= 738, 739,
&end
#
# 10 VAL QG1 49 TYR QD 4.39 (#peak 5808)
&rst
ixpk= 5808, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 140, 141, 142,
igr2= 742, 751,
&end
#
# 10 VAL QG1 49 TYR QE 6.15 (#peak 6374)
&rst
ixpk= 6374, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr1= 140, 141, 142,
igr2= 744, 749,
&end
#
# 10 VAL QG2 11 ASN HN 4.48 (#peak 1114)
&rst
ixpk= 1114, nxpk= 0, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 144, 145, 146,
&end
#
# 10 VAL QG2 11 ASN HA 5.70 (#peak 5807)
&rst
ixpk= 5807, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 144, 145, 146,
&end
#
# 10 VAL QG2 12 GLN HN 6.15 (#peak 2600)
&rst
ixpk= 2600, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 144, 145, 146,
&end
#
# 10 VAL QG2 180 ILE QG2 3.50 (#peak 6508)
&rst
ixpk= 6508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 144, 145, 146,
igr2=2744,2745,2746,
&end
#
# 10 VAL QG2 49 TYR QD 5.20 (#peak 3750)
&rst
ixpk= 3750, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 144, 145, 146,
igr2= 742, 751,
&end
#
# 10 VAL QG2 49 TYR QE 5.24 (#peak 6373)
&rst
ixpk= 6373, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 144, 145, 146,
igr2= 744, 749,
&end
#
# 11 ASN HN 11 ASN HD21 5.13 (#peak 1276)
&rst
ixpk= 1276, nxpk= 0, iat= 150, 159, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 11 ASN HN 12 GLN HN 4.50 (#peak 264)
&rst
ixpk= 264, nxpk= 0, iat= 150, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 ASN HA 11 ASN HD21 4.73 (#peak 198)
&rst
ixpk= 198, nxpk= 0, iat= 152, 159, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 11 ASN HA 11 ASN HD22 4.96 (#peak 201)
&rst
ixpk= 201, nxpk= 0, iat= 152, 160, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 11 ASN HB2 12 GLN HN 4.55 (#peak 261)
&rst
ixpk= 261, nxpk= 0, iat= 154, 164, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 11 ASN HB2 181 ALA QB 5.21 (#peak 4762)
&rst
ixpk= 4762, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=2761,2762,2763,
&end
#
# 11 ASN HB2 183 ALA HN 5.66 (#peak 2676)
&rst
ixpk= 2676, nxpk= 0, iat= 154,2786, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 11 ASN HB2 183 ALA QB 4.95 (#peak 6278)
&rst
ixpk= 6278, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=2790,2791,2792,
&end
#
# 11 ASN HB3 182 ILE QG2 4.62 (#peak 5855)
&rst
ixpk= 5855, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=2773,2774,2775,
&end
#
# 11 ASN HB3 183 ALA HN 5.21 (#peak 2678)
&rst
ixpk= 2678, nxpk= 0, iat= 155,2786, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 11 ASN HD21 183 ALA QB 6.15 (#peak 2523)
&rst
ixpk= 2523, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2790,2791,2792,
&end
#
# 11 ASN HD22 183 ALA QB 6.15 (#peak 2677)
&rst
ixpk= 2677, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2790,2791,2792,
&end
#
# 12 GLN HN 12 GLN HB2 3.84 (#peak 268)
&rst
ixpk= 268, nxpk= 0, iat= 164, 168, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 12 GLN HN 12 GLN HB3 3.89 (#peak 260)
&rst
ixpk= 260, nxpk= 0, iat= 164, 169, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 12 GLN HN 12 GLN HG2 5.88 (#peak 266)
&rst
ixpk= 266, nxpk= 0, iat= 164, 171, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 12 GLN HN 12 GLN HG3 5.60 (#peak 256)
&rst
ixpk= 256, nxpk= 0, iat= 164, 172, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 12 GLN HN 13 VAL HN 4.53 (#peak 267)
&rst
ixpk= 267, nxpk= 0, iat= 164, 181, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 12 GLN HN 13 VAL QG1 5.20 (#peak 2705)
&rst
ixpk= 2705, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 187, 188, 189,
&end
#
# 12 GLN HN 181 ALA HN 4.11 (#peak 1261)
&rst
ixpk= 1261, nxpk= 0, iat= 164,2757, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 12 GLN HN 181 ALA O 2.4
&rst
ixpk= 1261, nxpk= 0, iat= 164,2765, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 12 GLN HN 181 ALA QB 4.57 (#peak 2245)
&rst
ixpk= 2245, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2761,2762,2763,
&end
#
# 12 GLN HA 12 GLN HG2 3.91 (#peak 1145)
&rst
ixpk= 1145, nxpk= 0, iat= 166, 171, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 12 GLN HB2 181 ALA HN 5.94 (#peak 2240)
&rst
ixpk= 2240, nxpk= 0, iat= 168,2757, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 12 GLN HB3 13 VAL HN 6.15 (#peak 1736)
&rst
ixpk= 1736, nxpk= 0, iat= 169, 181, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 12 GLN HB3 181 ALA HN 5.98 (#peak 2238)
&rst
ixpk= 2238, nxpk= 0, iat= 169,2757, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 12 GLN HG2 13 VAL HN 5.87 (#peak 1741)
&rst
ixpk= 1741, nxpk= 0, iat= 171, 181, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 12 GLN N 181 ALA O 3.3
&rst
ixpk= 1741, nxpk= 0, iat= 163,2765, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 13 VAL HN 13 VAL QG1 5.87 (#peak 1740)
&rst
ixpk= 1740, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2= 187, 188, 189,
&end
#
# 13 VAL HN 13 VAL QG2 6.15 (#peak 1737)
&rst
ixpk= 1737, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 191, 192, 193,
&end
#
# 13 VAL HN 14 LYS HN 5.45 (#peak 1739)
&rst
ixpk= 1739, nxpk= 0, iat= 181, 197, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 13 VAL HN 181 ALA HN 5.78 (#peak 2372)
&rst
ixpk= 2372, nxpk= 0, iat= 181,2757, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 13 VAL HA 14 LYS HA 5.53 (#peak 4713)
&rst
ixpk= 4713, nxpk= 0, iat= 183, 199, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 13 VAL HA 180 ILE HA 5.17 (#peak 3413)
&rst
ixpk= 3413, nxpk= 0, iat= 183,2740, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 13 VAL HA 181 ALA HN 4.82 (#peak 1263)
&rst
ixpk= 1263, nxpk= 0, iat= 183,2757, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 13 VAL HB 14 LYS HN 4.81 (#peak 1309)
&rst
ixpk= 1309, nxpk= 0, iat= 185, 197, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 13 VAL HB 180 ILE QD1 5.72 (#peak 4768)
&rst
ixpk= 4768, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr2=2751,2752,2753,
&end
#
# 13 VAL HB 180 ILE QG2 5.89 (#peak 4767)
&rst
ixpk= 4767, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2=2744,2745,2746,
&end
#
# 13 VAL QG1 14 LYS HN 5.89 (#peak 1318)
&rst
ixpk= 1318, nxpk= 0, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 187, 188, 189,
&end
#
# 13 VAL QG1 180 ILE HA 4.53 (#peak 4505)
&rst
ixpk= 4505, nxpk= 0, iat= -1,2740, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 187, 188, 189,
&end
#
# 13 VAL QG1 180 ILE HB 4.42 (#peak 5862)
&rst
ixpk= 5862, nxpk= 0, iat= -1,2742, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 187, 188, 189,
&end
#
# 13 VAL QG1 49 TYR QD 4.47 (#peak 9246)
&rst
ixpk= 9246, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 187, 188, 189,
igr2= 742, 751,
&end
#
# 13 VAL QG1 49 TYR QE 4.29 (#peak 6469)
&rst
ixpk= 6469, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 187, 188, 189,
igr2= 744, 749,
&end
#
# 13 VAL QG2 14 LYS HN 5.73 (#peak 1315)
&rst
ixpk= 1315, nxpk= 0, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 191, 192, 193,
&end
#
# 13 VAL QG2 14 LYS HA 5.65 (#peak 4714)
&rst
ixpk= 4714, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 191, 192, 193,
&end
#
# 13 VAL QG2 180 ILE HA 5.37 (#peak 4506)
&rst
ixpk= 4506, nxpk= 0, iat= -1,2740, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 191, 192, 193,
&end
#
# 13 VAL QG2 180 ILE HG12 4.57 (#peak 4769)
&rst
ixpk= 4769, nxpk= 0, iat= -1,2748, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 191, 192, 193,
&end
#
# 13 VAL QG2 180 ILE QG2 4.43 (#peak 4765)
&rst
ixpk= 4765, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 191, 192, 193,
igr2=2744,2745,2746,
&end
#
# 14 LYS HN 14 LYS HD2 6.15 (#peak 1319)
&rst
ixpk= 1319, nxpk= 0, iat= 197, 207, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 14 LYS HN 14 LYS HD3 6.15 (#peak 1316)
&rst
ixpk= 1316, nxpk= 0, iat= 197, 208, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 14 LYS HN 14 LYS HG2 6.15 (#peak 1310)
&rst
ixpk= 1310, nxpk= 0, iat= 197, 204, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 14 LYS HN 14 LYS HG3 5.98 (#peak 1323)
&rst
ixpk= 1323, nxpk= 0, iat= 197, 205, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 14 LYS HN 15 VAL HN 4.95 (#peak 77)
&rst
ixpk= 77, nxpk= 0, iat= 197, 219, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 14 LYS HN 180 ILE HA 4.56 (#peak 1322)
&rst
ixpk= 1322, nxpk= 0, iat= 197,2740, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 14 LYS HA 14 LYS HD2 5.02 (#peak 3091)
&rst
ixpk= 3091, nxpk= 0, iat= 199, 207, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 14 LYS HA 14 LYS HD3 5.87 (#peak 4037)
&rst
ixpk= 4037, nxpk= 0, iat= 199, 208, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 14 LYS HA 14 LYS HE2 4.68 (#peak 2459)
&rst
ixpk= 2459, nxpk= 0, iat= 199, 210, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 14 LYS HA 14 LYS HE3 4.93 (#peak 4465)
&rst
ixpk= 4465, nxpk= 0, iat= 199, 211, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 14 LYS HA 15 VAL HN 2.91 (#peak 73)
&rst
ixpk= 73, nxpk= 0, iat= 199, 219, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 14 LYS HB2 14 LYS HD3 4.03 (#peak 3849)
&rst
ixpk= 3849, nxpk= 0, iat= 201, 208, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 14 LYS HB2 14 LYS HE2 5.40 (#peak 4990)
&rst
ixpk= 4990, nxpk= 0, iat= 201, 210, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 14 LYS HB2 14 LYS HE3 5.94 (#peak 4991)
&rst
ixpk= 4991, nxpk= 0, iat= 201, 211, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 14 LYS HB2 15 VAL HN 4.75 (#peak 75)
&rst
ixpk= 75, nxpk= 0, iat= 201, 219, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 14 LYS HB2 179 LEU QD2 5.37 (#peak 4996)
&rst
ixpk= 4996, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=2732,2733,2734,
&end
#
# 14 LYS HB3 14 LYS HD3 3.91 (#peak 686)
&rst
ixpk= 686, nxpk= 0, iat= 202, 208, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 14 LYS HB3 14 LYS HE2 4.61 (#peak 2455)
&rst
ixpk= 2455, nxpk= 0, iat= 202, 210, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 14 LYS HB3 14 LYS HE3 6.15 (#peak 1897)
&rst
ixpk= 1897, nxpk= 0, iat= 202, 211, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 14 LYS HB3 15 VAL HN 4.80 (#peak 80)
&rst
ixpk= 80, nxpk= 0, iat= 202, 219, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 14 LYS HB3 179 LEU QD2 5.24 (#peak 5864)
&rst
ixpk= 5864, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=2732,2733,2734,
&end
#
# 14 LYS HD3 156 PHE QD 4.45 (#peak 9175)
&rst
ixpk= 9175, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=2375,2383,
&end
#
# 14 LYS HD3 156 PHE QE 4.87 (#peak 9176)
&rst
ixpk= 9176, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=2377,2381,
&end
#
# 14 LYS HD3 179 LEU QD1 5.74 (#peak 5813)
&rst
ixpk= 5813, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2=2728,2729,2730,
&end
#
# 14 LYS HD3 179 LEU QD2 5.49 (#peak 5812)
&rst
ixpk= 5812, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=2732,2733,2734,
&end
#
# 14 LYS HE2 179 LEU QD2 5.81 (#peak 5000)
&rst
ixpk= 5000, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2=2732,2733,2734,
&end
#
# 14 LYS HE3 179 LEU QD2 5.09 (#peak 4999)
&rst
ixpk= 4999, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2732,2733,2734,
&end
#
# 14 LYS HG2 14 LYS HE2 3.86 (#peak 2454)
&rst
ixpk= 2454, nxpk= 0, iat= 204, 210, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 14 LYS HG2 14 LYS HE3 4.15 (#peak 4460)
&rst
ixpk= 4460, nxpk= 0, iat= 204, 211, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 14 LYS HG2 15 VAL HN 5.49 (#peak 5599)
&rst
ixpk= 5599, nxpk= 0, iat= 204, 219, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 14 LYS HG2 179 LEU QD2 4.51 (#peak 4718)
&rst
ixpk= 4718, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2732,2733,2734,
&end
#
# 14 LYS HG3 15 VAL HN 6.15 (#peak 5598)
&rst
ixpk= 5598, nxpk= 0, iat= 205, 219, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 14 LYS HG3 179 LEU HN 6.15 (#peak 2242)
&rst
ixpk= 2242, nxpk= 0, iat= 205,2719, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 14 LYS HG3 179 LEU QD1 4.24 (#peak 5869)
&rst
ixpk= 5869, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=2728,2729,2730,
&end
#
# 14 LYS HG3 179 LEU QD2 4.40 (#peak 4717)
&rst
ixpk= 4717, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2732,2733,2734,
&end
#
# 15 VAL HN 15 VAL HB 3.70 (#peak 72)
&rst
ixpk= 72, nxpk= 0, iat= 219, 223, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 15 VAL HN 15 VAL QG1 3.85 (#peak 76)
&rst
ixpk= 76, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 225, 226, 227,
&end
#
# 15 VAL HN 15 VAL QG2 3.86 (#peak 69)
&rst
ixpk= 69, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 229, 230, 231,
&end
#
# 15 VAL HN 16 LEU HN 5.76 (#peak 2006)
&rst
ixpk= 2006, nxpk= 0, iat= 219, 235, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 15 VAL HN 178 GLY HA3 6.15 (#peak 74)
&rst
ixpk= 74, nxpk= 0, iat= 219,2715, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 15 VAL HA 15 VAL QG1 3.90 (#peak 4231)
&rst
ixpk= 4231, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 225, 226, 227,
&end
#
# 15 VAL HA 15 VAL QG2 4.02 (#peak 349)
&rst
ixpk= 349, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 229, 230, 231,
&end
#
# 15 VAL HA 178 GLY HA2 6.07 (#peak 4730)
&rst
ixpk= 4730, nxpk= 0, iat= 221,2714, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 15 VAL HA 178 GLY HA3 6.15 (#peak 1562)
&rst
ixpk= 1562, nxpk= 0, iat= 221,2715, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 15 VAL HA 179 LEU HN 5.98 (#peak 2062)
&rst
ixpk= 2062, nxpk= 0, iat= 221,2719, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 15 VAL HB 16 LEU HN 6.15 (#peak 2008)
&rst
ixpk= 2008, nxpk= 0, iat= 223, 235, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 15 VAL HB 17 THR HN 4.84 (#peak 2671)
&rst
ixpk= 2671, nxpk= 0, iat= 223, 254, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 15 VAL QG1 16 LEU HN 6.15 (#peak 2011)
&rst
ixpk= 2011, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG1 177 CYS HA 4.75 (#peak 6377)
&rst
ixpk= 6377, nxpk= 0, iat= -1,2703, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG1 17 THR HN 2.98 (#peak 2669)
&rst
ixpk= 2669, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG1 24 HIS HA 4.79 (#peak 6406)
&rst
ixpk= 6406, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG2 178 GLY HA2 5.45 (#peak 5002)
&rst
ixpk= 5002, nxpk= 0, iat= -1,2714, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 229, 230, 231,
&end
#
# 15 VAL QG2 178 GLY HA3 5.68 (#peak 5003)
&rst
ixpk= 5003, nxpk= 0, iat= -1,2715, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 229, 230, 231,
&end
#
# 15 VAL QG2 24 HIS HA 3.77 (#peak 6448)
&rst
ixpk= 6448, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 229, 230, 231,
&end
#
# 16 LEU HN 16 LEU HG 6.11 (#peak 2014)
&rst
ixpk= 2014, nxpk= 0, iat= 235, 242, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 16 LEU HN 16 LEU QD2 6.11 (#peak 2013)
&rst
ixpk= 2013, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr2= 248, 249, 250,
&end
#
# 16 LEU HN 178 GLY HA3 5.65 (#peak 2694)
&rst
ixpk= 2694, nxpk= 0, iat= 235,2715, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 16 LEU HN 179 LEU HN 6.15 (#peak 2434)
&rst
ixpk= 2434, nxpk= 0, iat= 235,2719, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 16 LEU HN 17 THR HN 5.83 (#peak 1569)
&rst
ixpk= 1569, nxpk= 0, iat= 235, 254, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 16 LEU HN 17 THR HA 6.15 (#peak 2485)
&rst
ixpk= 2485, nxpk= 0, iat= 235, 256, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 16 LEU HA 16 LEU QD2 5.52 (#peak 4284)
&rst
ixpk= 4284, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 248, 249, 250,
&end
#
# 16 LEU HB2 16 LEU QD2 4.06 (#peak 41)
&rst
ixpk= 41, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 248, 249, 250,
&end
#
# 16 LEU HB2 176 LEU QD1 5.52 (#peak 5013)
&rst
ixpk= 5013, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2=2691,2692,2693,
&end
#
# 16 LEU HB2 177 CYS HN 5.98 (#peak 2562)
&rst
ixpk= 2562, nxpk= 0, iat= 239,2701, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 16 LEU HB2 178 GLY HA2 5.16 (#peak 4733)
&rst
ixpk= 4733, nxpk= 0, iat= 239,2714, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 16 LEU HB2 178 GLY HA3 6.15 (#peak 5817)
&rst
ixpk= 5817, nxpk= 0, iat= 239,2715, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 16 LEU HB2 17 THR HN 6.15 (#peak 1570)
&rst
ixpk= 1570, nxpk= 0, iat= 239, 254, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 16 LEU HB3 16 LEU QD2 3.95 (#peak 37)
&rst
ixpk= 37, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 248, 249, 250,
&end
#
# 16 LEU HB3 176 LEU QD1 5.25 (#peak 5014)
&rst
ixpk= 5014, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=2691,2692,2693,
&end
#
# 16 LEU HB3 177 CYS HA 5.83 (#peak 5022)
&rst
ixpk= 5022, nxpk= 0, iat= 240,2703, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 16 LEU HB3 178 GLY HN 5.13 (#peak 2444)
&rst
ixpk= 2444, nxpk= 0, iat= 240,2712, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 16 LEU HB3 178 GLY HA2 5.30 (#peak 5078)
&rst
ixpk= 5078, nxpk= 0, iat= 240,2714, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 16 LEU HB3 178 GLY HA3 5.66 (#peak 5816)
&rst
ixpk= 5816, nxpk= 0, iat= 240,2715, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 16 LEU HB3 17 THR HN 5.88 (#peak 1568)
&rst
ixpk= 1568, nxpk= 0, iat= 240, 254, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 16 LEU HG 176 LEU HB2 5.26 (#peak 5019)
&rst
ixpk= 5019, nxpk= 0, iat= 242,2686, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 16 LEU HG 176 LEU HB3 4.63 (#peak 5044)
&rst
ixpk= 5044, nxpk= 0, iat= 242,2687, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 16 LEU HG 176 LEU QD1 5.45 (#peak 5018)
&rst
ixpk= 5018, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=2691,2692,2693,
&end
#
# 16 LEU HG 17 THR HN 6.03 (#peak 1565)
&rst
ixpk= 1565, nxpk= 0, iat= 242, 254, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 16 LEU QD2 177 CYS HN 5.94 (#peak 2561)
&rst
ixpk= 2561, nxpk= 0, iat= -1,2701, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 248, 249, 250,
&end
#
# 16 LEU QD2 179 LEU HN 6.15 (#peak 2430)
&rst
ixpk= 2430, nxpk= 0, iat= -1,2719, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 248, 249, 250,
&end
#
# 17 THR HN 177 CYS HA 6.15 (#peak 2438)
&rst
ixpk= 2438, nxpk= 0, iat= 254,2703, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 17 THR HN 177 CYS HB2 5.93 (#peak 2545)
&rst
ixpk= 2545, nxpk= 0, iat= 254,2705, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 17 THR HN 17 THR QG2 6.15 (#peak 1562)
&rst
ixpk= 1562, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 260, 261, 262,
&end
#
# 17 THR HN 18 GLU HN 6.15 (#peak 2112)
&rst
ixpk= 2112, nxpk= 0, iat= 254, 268, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 17 THR HA 176 LEU HB2 6.08 (#peak 5118)
&rst
ixpk= 5118, nxpk= 0, iat= 256,2686, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 17 THR HA 176 LEU HB3 5.09 (#peak 6299)
&rst
ixpk= 6299, nxpk= 0, iat= 256,2687, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 17 THR HA 177 CYS HA 6.15 (#peak 4721)
&rst
ixpk= 4721, nxpk= 0, iat= 256,2703, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 17 THR HB 177 CYS HA 5.56 (#peak 4771)
&rst
ixpk= 4771, nxpk= 0, iat= 258,2703, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 17 THR HB 177 CYS HB2 5.95 (#peak 6475)
&rst
ixpk= 6475, nxpk= 0, iat= 258,2705, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 17 THR HB 177 CYS HB3 5.11 (#peak 6474)
&rst
ixpk= 6474, nxpk= 0, iat= 258,2706, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 17 THR HB 18 GLU HN 5.54 (#peak 2111)
&rst
ixpk= 2111, nxpk= 0, iat= 258, 268, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 17 THR HB 27 ILE QD1 6.15 (#peak 5116)
&rst
ixpk= 5116, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 431, 432, 433,
&end
#
# 17 THR QG2 177 CYS HN 6.15 (#peak 2547)
&rst
ixpk= 2547, nxpk= 0, iat= -1,2701, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 260, 261, 262,
&end
#
# 17 THR QG2 177 CYS HA 5.68 (#peak 4720)
&rst
ixpk= 4720, nxpk= 0, iat= -1,2703, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 260, 261, 262,
&end
#
# 17 THR QG2 18 GLU HN 5.93 (#peak 2107)
&rst
ixpk= 2107, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 260, 261, 262,
&end
#
# 17 THR QG2 27 ILE HB 5.32 (#peak 5135)
&rst
ixpk= 5135, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 260, 261, 262,
&end
#
# 17 THR QG2 27 ILE QD1 5.57 (#peak 5133)
&rst
ixpk= 5133, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
igr1= 260, 261, 262,
igr2= 431, 432, 433,
&end
#
# 17 THR QG2 27 ILE QG2 5.67 (#peak 5134)
&rst
ixpk= 5134, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 260, 261, 262,
igr2= 424, 425, 426,
&end
#
# 18 GLU HN 18 GLU HG2 6.15 (#peak 2109)
&rst
ixpk= 2109, nxpk= 0, iat= 268, 275, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 18 GLU HN 18 GLU HG3 5.99 (#peak 2113)
&rst
ixpk= 2113, nxpk= 0, iat= 268, 276, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 18 GLU HN 19 SER HN 5.94 (#peak 2106)
&rst
ixpk= 2106, nxpk= 0, iat= 268, 283, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 18 GLU HA 18 GLU HG2 4.19 (#peak 1114)
&rst
ixpk= 1114, nxpk= 0, iat= 270, 275, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 18 GLU HA 18 GLU HG3 4.19 (#peak 1118)
&rst
ixpk= 1118, nxpk= 0, iat= 270, 276, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 18 GLU HA 24 HIS HN 5.34 (#peak 6552)
&rst
ixpk= 6552, nxpk= 0, iat= 270, 362, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 18 GLU HB2 19 SER HN 5.47 (#peak 696)
&rst
ixpk= 696, nxpk= 0, iat= 272, 283, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 18 GLU HB3 19 SER HN 4.92 (#peak 691)
&rst
ixpk= 691, nxpk= 0, iat= 273, 283, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 18 GLU HG2 19 SER HN 5.11 (#peak 695)
&rst
ixpk= 695, nxpk= 0, iat= 275, 283, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 18 GLU HG3 19 SER HN 4.91 (#peak 697)
&rst
ixpk= 697, nxpk= 0, iat= 276, 283, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 19 SER HN 20 ASN HA 6.15 (#peak 2479)
&rst
ixpk= 2479, nxpk= 0, iat= 283, 296, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 19 SER HB2 20 ASN HN 5.99 (#peak 443)
&rst
ixpk= 443, nxpk= 0, iat= 287, 294, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 20 ASN HN 21 ARG HN 5.18 (#peak 582)
&rst
ixpk= 582, nxpk= 0, iat= 294, 308, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 20 ASN HN 22 ILE HN 5.68 (#peak 2294)
&rst
ixpk= 2294, nxpk= 0, iat= 294, 332, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 20 ASN QB 21 ARG HN 6.15 (#peak 578)
&rst
ixpk= 578, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 298, 299,
&end
#
# 20 ASN QB 21 ARG HA 4.73 (#peak 5411)
&rst
ixpk= 5411, nxpk= 0, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 298, 299,
&end
#
# 20 ASN QB 22 ILE HN 6.15 (#peak 2292)
&rst
ixpk= 2292, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 298, 299,
&end
#
# 20 ASN QB 22 ILE QD1 5.72 (#peak 6380)
&rst
ixpk= 6380, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr1= 298, 299,
igr2= 345, 346, 347,
&end
#
# 21 ARG HN 21 ARG HG2 5.87 (#peak 588)
&rst
ixpk= 588, nxpk= 0, iat= 308, 315, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 21 ARG HN 21 ARG HG3 6.15 (#peak 581)
&rst
ixpk= 581, nxpk= 0, iat= 308, 316, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 21 ARG HN 21 ARG QD 6.15 (#peak 586)
&rst
ixpk= 586, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 318, 319,
&end
#
# 21 ARG HN 22 ILE HN 4.29 (#peak 1575)
&rst
ixpk= 1575, nxpk= 0, iat= 308, 332, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 21 ARG HA 21 ARG QD 4.56 (#peak 1814)
&rst
ixpk= 1814, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 318, 319,
&end
#
# 21 ARG HB2 175 GLU HB2 4.75 (#peak 5052)
&rst
ixpk= 5052, nxpk= 0, iat= 312,2671, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 21 ARG HB2 175 GLU HB3 4.83 (#peak 5048)
&rst
ixpk= 5048, nxpk= 0, iat= 312,2672, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 21 ARG HB2 175 GLU QG 5.10 (#peak 5046)
&rst
ixpk= 5046, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=2674,2675,
&end
#
# 21 ARG HB2 21 ARG QD 3.74 (#peak 1807)
&rst
ixpk= 1807, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 318, 319,
&end
#
# 21 ARG HB2 22 ILE HN 4.41 (#peak 1577)
&rst
ixpk= 1577, nxpk= 0, iat= 312, 332, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 21 ARG HB2 22 ILE QD1 5.56 (#peak 5419)
&rst
ixpk= 5419, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2= 345, 346, 347,
&end
#
# 21 ARG HB3 175 GLU HB3 5.35 (#peak 5054)
&rst
ixpk= 5054, nxpk= 0, iat= 313,2672, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 21 ARG HB3 21 ARG QD 3.75 (#peak 1812)
&rst
ixpk= 1812, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 318, 319,
&end
#
# 21 ARG HB3 22 ILE HN 4.23 (#peak 1573)
&rst
ixpk= 1573, nxpk= 0, iat= 313, 332, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 21 ARG HB3 22 ILE QD1 5.77 (#peak 5418)
&rst
ixpk= 5418, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 345, 346, 347,
&end
#
# 21 ARG HG2 22 ILE HN 4.79 (#peak 1583)
&rst
ixpk= 1583, nxpk= 0, iat= 315, 332, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 21 ARG HG2 22 ILE QD1 4.95 (#peak 5416)
&rst
ixpk= 5416, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 345, 346, 347,
&end
#
# 21 ARG HG2 22 ILE QG1 5.55 (#peak 5414)
&rst
ixpk= 5414, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 342, 343,
&end
#
# 21 ARG HG2 22 ILE QG2 5.50 (#peak 5420)
&rst
ixpk= 5420, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 338, 339, 340,
&end
#
# 21 ARG HG3 22 ILE HN 4.87 (#peak 1574)
&rst
ixpk= 1574, nxpk= 0, iat= 316, 332, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 21 ARG HG3 22 ILE QD1 5.93 (#peak 5417)
&rst
ixpk= 5417, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2= 345, 346, 347,
&end
#
# 21 ARG HG3 22 ILE QG1 5.57 (#peak 5415)
&rst
ixpk= 5415, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2= 342, 343,
&end
#
# 21 ARG QD 175 GLU HB3 6.06 (#peak 5050)
&rst
ixpk= 5050, nxpk= 0, iat= -1,2672, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 318, 319,
&end
#
# 21 ARG QD 22 ILE HN 5.98 (#peak 1579)
&rst
ixpk= 1579, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 318, 319,
&end
#
# 21 ARG QD 22 ILE QD1 4.77 (#peak 6451)
&rst
ixpk= 6451, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 318, 319,
igr2= 345, 346, 347,
&end
#
# 22 ILE HN 22 ILE QD1 4.69 (#peak 1580)
&rst
ixpk= 1580, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 345, 346, 347,
&end
#
# 22 ILE HN 22 ILE QG1 4.52 (#peak 1582)
&rst
ixpk= 1582, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 342, 343,
&end
#
# 22 ILE HN 22 ILE QG2 4.61 (#peak 1585)
&rst
ixpk= 1585, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 338, 339, 340,
&end
#
# 22 ILE HN 23 SER HA 5.35 (#peak 2696)
&rst
ixpk= 2696, nxpk= 0, iat= 332, 353, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 22 ILE HA 22 ILE QD1 4.81 (#peak 642)
&rst
ixpk= 642, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 345, 346, 347,
&end
#
# 22 ILE HB 22 ILE QD1 3.24 (#peak 2039)
&rst
ixpk= 2039, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 345, 346, 347,
&end
#
# 22 ILE HB 23 SER HN 6.15 (#peak 1062)
&rst
ixpk= 1062, nxpk= 0, iat= 336, 351, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 22 ILE HB 23 SER HA 5.77 (#peak 5422)
&rst
ixpk= 5422, nxpk= 0, iat= 336, 353, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 22 ILE HB 27 ILE HG12 5.49 (#peak 5137)
&rst
ixpk= 5137, nxpk= 0, iat= 336, 428, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 22 ILE HB 27 ILE QD1 4.57 (#peak 4660)
&rst
ixpk= 4660, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 431, 432, 433,
&end
#
# 22 ILE QD1 27 ILE QD1 4.91 (#peak 4547)
&rst
ixpk= 4547, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 345, 346, 347,
igr2= 431, 432, 433,
&end
#
# 22 ILE QG1 23 SER HN 6.15 (#peak 1060)
&rst
ixpk= 1060, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 342, 343,
&end
#
# 22 ILE QG1 27 ILE QD1 5.07 (#peak 4549)
&rst
ixpk= 4549, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 342, 343,
igr2= 431, 432, 433,
&end
#
# 22 ILE QG2 177 CYS HB2 5.93 (#peak 6450)
&rst
ixpk= 6450, nxpk= 0, iat= -1,2705, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 338, 339, 340,
&end
#
# 22 ILE QG2 22 ILE QD1 4.60 (#peak 2034)
&rst
ixpk= 2034, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 338, 339, 340,
igr2= 345, 346, 347,
&end
#
# 22 ILE QG2 22 ILE QG1 4.16 (#peak 168)
&rst
ixpk= 168, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 338, 339, 340,
igr2= 342, 343,
&end
#
# 22 ILE QG2 23 SER HN 5.78 (#peak 1063)
&rst
ixpk= 1063, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 338, 339, 340,
&end
#
# 22 ILE QG2 27 ILE HN 6.06 (#peak 2358)
&rst
ixpk= 2358, nxpk= 0, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 338, 339, 340,
&end
#
# 22 ILE QG2 27 ILE HA 5.74 (#peak 4692)
&rst
ixpk= 4692, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 338, 339, 340,
&end
#
# 22 ILE QG2 27 ILE HB 5.66 (#peak 5141)
&rst
ixpk= 5141, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 338, 339, 340,
&end
#
# 22 ILE QG2 27 ILE HG12 5.05 (#peak 5142)
&rst
ixpk= 5142, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 338, 339, 340,
&end
#
# 22 ILE QG2 27 ILE HG13 4.78 (#peak 5140)
&rst
ixpk= 5140, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 338, 339, 340,
&end
#
# 22 ILE QG2 27 ILE QD1 3.58 (#peak 4693)
&rst
ixpk= 4693, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 338, 339, 340,
igr2= 431, 432, 433,
&end
#
# 22 ILE QG2 27 ILE QG2 5.11 (#peak 5139)
&rst
ixpk= 5139, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1= 338, 339, 340,
igr2= 424, 425, 426,
&end
#
# 22 ILE QG2 30 ILE QD1 4.83 (#peak 6193)
&rst
ixpk= 6193, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 338, 339, 340,
igr2= 479, 480, 481,
&end
#
# 23 SER HN 27 ILE HG12 5.86 (#peak 2295)
&rst
ixpk= 2295, nxpk= 0, iat= 351, 428, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 23 SER HN 27 ILE HG13 6.15 (#peak 2296)
&rst
ixpk= 2296, nxpk= 0, iat= 351, 429, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 23 SER HB3 24 HIS HN 6.15 (#peak 52)
&rst
ixpk= 52, nxpk= 0, iat= 356, 362, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 23 SER HB3 24 HIS HA 5.58 (#peak 5128)
&rst
ixpk= 5128, nxpk= 0, iat= 356, 364, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 24 HIS HA 27 ILE HN 5.81 (#peak 116)
&rst
ixpk= 116, nxpk= 0, iat= 364, 418, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 24 HIS HA 27 ILE HB 4.94 (#peak 5129)
&rst
ixpk= 5129, nxpk= 0, iat= 364, 422, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 24 HIS HA 27 ILE QD1 4.82 (#peak 6438)
&rst
ixpk= 6438, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 431, 432, 433,
&end
#
# 24 HIS HA 27 ILE QG2 4.19 (#peak 5130)
&rst
ixpk= 5130, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 424, 425, 426,
&end
#
# 27 ILE HN 27 ILE HG12 6.10 (#peak 109)
&rst
ixpk= 109, nxpk= 0, iat= 418, 428, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 27 ILE HN 27 ILE HG13 6.15 (#peak 107)
&rst
ixpk= 107, nxpk= 0, iat= 418, 429, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 27 ILE HN 27 ILE QD1 6.15 (#peak 113)
&rst
ixpk= 113, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 431, 432, 433,
&end
#
# 27 ILE HN 27 ILE QG2 4.28 (#peak 105)
&rst
ixpk= 105, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 424, 425, 426,
&end
#
# 27 ILE HN 28 LEU HN 3.91 (#peak 862)
&rst
ixpk= 862, nxpk= 0, iat= 418, 437, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 27 ILE HN 29 ALA HN 6.15 (#peak 636)
&rst
ixpk= 636, nxpk= 0, iat= 418, 456, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 27 ILE HA 172 VAL QG2 4.74 (#peak 6169)
&rst
ixpk= 6169, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=2637,2638,2639,
&end
#
# 27 ILE HA 27 ILE QD1 4.67 (#peak 678)
&rst
ixpk= 678, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 431, 432, 433,
&end
#
# 27 ILE HA 27 ILE QG2 4.07 (#peak 3809)
&rst
ixpk= 3809, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 424, 425, 426,
&end
#
# 27 ILE HA 30 ILE HB 5.60 (#peak 671)
&rst
ixpk= 671, nxpk= 0, iat= 420, 470, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 27 ILE HA 30 ILE HG12 5.89 (#peak 4679)
&rst
ixpk= 4679, nxpk= 0, iat= 420, 476, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 27 ILE HA 30 ILE QD1 4.90 (#peak 4677)
&rst
ixpk= 4677, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 479, 480, 481,
&end
#
# 27 ILE HA 31 VAL HN 5.03 (#peak 2154)
&rst
ixpk= 2154, nxpk= 0, iat= 420, 485, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 27 ILE HB 27 ILE QD1 3.72 (#peak 3290)
&rst
ixpk= 3290, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 431, 432, 433,
&end
#
# 27 ILE HB 28 LEU HN 6.15 (#peak 868)
&rst
ixpk= 868, nxpk= 0, iat= 422, 437, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 27 ILE HG12 28 LEU HN 6.15 (#peak 867)
&rst
ixpk= 867, nxpk= 0, iat= 428, 437, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 27 ILE HG12 30 ILE QD1 6.15 (#peak 5172)
&rst
ixpk= 5172, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 479, 480, 481,
&end
#
# 27 ILE HG13 172 VAL QG2 4.64 (#peak 4558)
&rst
ixpk= 4558, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2637,2638,2639,
&end
#
# 27 ILE HG13 30 ILE HG12 6.11 (#peak 5159)
&rst
ixpk= 5159, nxpk= 0, iat= 429, 476, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 27 ILE HG13 30 ILE QD1 6.15 (#peak 5174)
&rst
ixpk= 5174, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 479, 480, 481,
&end
#
# 27 ILE QD1 177 CYS HA 5.05 (#peak 5876)
&rst
ixpk= 5876, nxpk= 0, iat= -1,2703, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 431, 432, 433,
&end
#
# 27 ILE QD1 177 CYS HB2 5.31 (#peak 4562)
&rst
ixpk= 4562, nxpk= 0, iat= -1,2705, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 431, 432, 433,
&end
#
# 27 ILE QD1 177 CYS HB3 5.04 (#peak 4561)
&rst
ixpk= 4561, nxpk= 0, iat= -1,2706, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 431, 432, 433,
&end
#
# 27 ILE QD1 178 GLY HA2 5.03 (#peak 6439)
&rst
ixpk= 6439, nxpk= 0, iat= -1,2714, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 431, 432, 433,
&end
#
# 27 ILE QD1 178 GLY HA3 4.96 (#peak 6440)
&rst
ixpk= 6440, nxpk= 0, iat= -1,2715, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 431, 432, 433,
&end
#
# 27 ILE QD1 28 LEU HN 6.15 (#peak 872)
&rst
ixpk= 872, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 431, 432, 433,
&end
#
# 27 ILE QD1 30 ILE QD1 4.59 (#peak 5905)
&rst
ixpk= 5905, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 431, 432, 433,
igr2= 479, 480, 481,
&end
#
# 27 ILE QG2 177 CYS HB2 5.77 (#peak 4563)
&rst
ixpk= 4563, nxpk= 0, iat= -1,2705, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 424, 425, 426,
&end
#
# 27 ILE QG2 177 CYS HB3 4.85 (#peak 4567)
&rst
ixpk= 4567, nxpk= 0, iat= -1,2706, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 424, 425, 426,
&end
#
# 27 ILE QG2 27 ILE HG12 3.81 (#peak 3810)
&rst
ixpk= 3810, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 424, 425, 426,
&end
#
# 27 ILE QG2 27 ILE HG13 3.57 (#peak 2684)
&rst
ixpk= 2684, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 424, 425, 426,
&end
#
# 27 ILE QG2 27 ILE QD1 3.25 (#peak 3289)
&rst
ixpk= 3289, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 424, 425, 426,
igr2= 431, 432, 433,
&end
#
# 27 ILE QG2 28 LEU HN 5.97 (#peak 861)
&rst
ixpk= 861, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 424, 425, 426,
&end
#
# 27 ILE QG2 28 LEU HA 5.38 (#peak 5149)
&rst
ixpk= 5149, nxpk= 0, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 424, 425, 426,
&end
#
# 27 ILE QG2 30 ILE HB 6.10 (#peak 5169)
&rst
ixpk= 5169, nxpk= 0, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 424, 425, 426,
&end
#
# 27 ILE QG2 30 ILE HG12 5.21 (#peak 5168)
&rst
ixpk= 5168, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 424, 425, 426,
&end
#
# 27 ILE QG2 30 ILE QD1 5.29 (#peak 5167)
&rst
ixpk= 5167, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 424, 425, 426,
igr2= 479, 480, 481,
&end
#
# 27 ILE QG2 31 VAL QG2 4.95 (#peak 5181)
&rst
ixpk= 5181, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 424, 425, 426,
igr2= 495, 496, 497,
&end
#
# 28 LEU HN 24 HIS O 2.4
&rst
ixpk= 5181, nxpk= 0, iat= 437, 377, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 28 LEU HN 28 LEU HG 6.15 (#peak 874)
&rst
ixpk= 874, nxpk= 0, iat= 437, 444, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 28 LEU HN 28 LEU QQD 6.15 (#peak 870)
&rst
ixpk= 870, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr2= 450, 451, 452, 446, 447, 448,
&end
#
# 28 LEU HN 29 ALA HN 3.99 (#peak 865)
&rst
ixpk= 865, nxpk= 0, iat= 437, 456, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 28 LEU HA 28 LEU QQD 5.27 (#peak 3981)
&rst
ixpk= 3981, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr2= 450, 451, 452, 446, 447, 448,
&end
#
# 28 LEU HA 31 VAL HN 5.37 (#peak 2150)
&rst
ixpk= 2150, nxpk= 0, iat= 439, 485, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 28 LEU HA 31 VAL QG1 4.42 (#peak 6147)
&rst
ixpk= 6147, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 491, 492, 493,
&end
#
# 28 LEU HA 32 GLY HN 5.07 (#peak 1018)
&rst
ixpk= 1018, nxpk= 0, iat= 439, 501, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 28 LEU HB2 28 LEU QQD 4.24 (#peak 3593)
&rst
ixpk= 3593, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 450, 451, 452, 446, 447, 448,
&end
#
# 28 LEU HB2 29 ALA HN 4.38 (#peak 637)
&rst
ixpk= 637, nxpk= 0, iat= 441, 456, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 28 LEU HB3 28 LEU QQD 3.05 (#peak 4060)
&rst
ixpk= 4060, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 450, 451, 452, 446, 447, 448,
&end
#
# 28 LEU HB3 29 ALA HN 4.15 (#peak 639)
&rst
ixpk= 639, nxpk= 0, iat= 442, 456, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 28 LEU HB3 29 ALA QB 6.07 (#peak 6181)
&rst
ixpk= 6181, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr2= 460, 461, 462,
&end
#
# 28 LEU HG 29 ALA HN 6.15 (#peak 646)
&rst
ixpk= 646, nxpk= 0, iat= 444, 456, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 28 LEU HG 29 ALA QB 6.15 (#peak 6179)
&rst
ixpk= 6179, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 460, 461, 462,
&end
#
# 28 LEU HG 54 LEU QD2 5.69 (#peak 5291)
&rst
ixpk= 5291, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2= 833, 834, 835,
&end
#
# 28 LEU N 24 HIS O 3.3
&rst
ixpk= 5291, nxpk= 0, iat= 436, 377, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 28 LEU QQD 29 ALA HN 4.29 (#peak 641)
&rst
ixpk= 641, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 450, 451, 452, 446, 447, 448,
&end
#
# 28 LEU QQD 29 ALA HA 5.04 (#peak 4699)
&rst
ixpk= 4699, nxpk= 0, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 450, 451, 452, 446, 447, 448,
&end
#
# 28 LEU QQD 29 ALA QB 4.32 (#peak 6180)
&rst
ixpk= 6180, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 450, 451, 452, 446, 447, 448,
igr2= 460, 461, 462,
&end
#
# 28 LEU QQD 50 CYS HA 5.48 (#peak 6403)
&rst
ixpk= 6403, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 450, 451, 452, 446, 447, 448,
&end
#
# 28 LEU QQD 54 LEU QD2 4.29 (#peak 5288)
&rst
ixpk= 5288, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 450, 451, 452, 446, 447, 448,
igr2= 833, 834, 835,
&end
#
# 29 ALA HN 25 HIS O 2.4
&rst
ixpk= 5288, nxpk= 0, iat= 456, 394, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 29 ALA HN 29 ALA QB 2.74 (#peak 643)
&rst
ixpk= 643, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 460, 461, 462,
&end
#
# 29 ALA HN 30 ILE HN 3.86 (#peak 644)
&rst
ixpk= 644, nxpk= 0, iat= 456, 466, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 29 ALA HN 30 ILE HG12 5.08 (#peak 2656)
&rst
ixpk= 2656, nxpk= 0, iat= 456, 476, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 29 ALA HN 30 ILE QG2 6.15 (#peak 2655)
&rst
ixpk= 2655, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 472, 473, 474,
&end
#
# 29 ALA HN 31 VAL HN 4.97 (#peak 647)
&rst
ixpk= 647, nxpk= 0, iat= 456, 485, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 29 ALA HA 31 VAL HN 5.70 (#peak 2157)
&rst
ixpk= 2157, nxpk= 0, iat= 458, 485, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 29 ALA HA 33 THR QG2 5.36 (#peak 5932)
&rst
ixpk= 5932, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 514, 515, 516,
&end
#
# 29 ALA HA 54 LEU QD1 4.69 (#peak 6178)
&rst
ixpk= 6178, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 829, 830, 831,
&end
#
# 29 ALA N 25 HIS O 3.3
&rst
ixpk= 6178, nxpk= 0, iat= 455, 394, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 29 ALA QB 30 ILE HN 6.15 (#peak 1657)
&rst
ixpk= 1657, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 460, 461, 462,
&end
#
# 29 ALA QB 31 VAL HN 5.83 (#peak 2577)
&rst
ixpk= 2577, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 460, 461, 462,
&end
#
# 29 ALA QB 33 THR HN 5.22 (#peak 2681)
&rst
ixpk= 2681, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 460, 461, 462,
&end
#
# 30 ILE HN 26 LYS O 2.4
&rst
ixpk= 2681, nxpk= 0, iat= 466, 416, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 30 ILE HN 30 ILE HB 3.91 (#peak 1652)
&rst
ixpk= 1652, nxpk= 0, iat= 466, 470, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 30 ILE HN 30 ILE HG12 6.06 (#peak 1650)
&rst
ixpk= 1650, nxpk= 0, iat= 466, 476, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 30 ILE HN 30 ILE HG13 6.15 (#peak 1660)
&rst
ixpk= 1660, nxpk= 0, iat= 466, 477, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 30 ILE HN 30 ILE QD1 6.15 (#peak 1656)
&rst
ixpk= 1656, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 479, 480, 481,
&end
#
# 30 ILE HN 30 ILE QG2 6.04 (#peak 1653)
&rst
ixpk= 1653, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2= 472, 473, 474,
&end
#
# 30 ILE HN 31 VAL HN 4.95 (#peak 2153)
&rst
ixpk= 2153, nxpk= 0, iat= 466, 485, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 30 ILE HN 32 GLY HN 4.55 (#peak 1021)
&rst
ixpk= 1021, nxpk= 0, iat= 466, 501, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 30 ILE HA 30 ILE QD1 4.83 (#peak 313)
&rst
ixpk= 313, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 479, 480, 481,
&end
#
# 30 ILE HA 33 THR HN 5.91 (#peak 458)
&rst
ixpk= 458, nxpk= 0, iat= 468, 508, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 30 ILE HA 33 THR HB 6.15 (#peak 2446)
&rst
ixpk= 2446, nxpk= 0, iat= 468, 512, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 30 ILE HA 33 THR QG2 4.94 (#peak 5844)
&rst
ixpk= 5844, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 514, 515, 516,
&end
#
# 30 ILE HA 77 VAL QG2 4.94 (#peak 6186)
&rst
ixpk= 6186, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1157,1158,1159,
&end
#
# 30 ILE HB 30 ILE QD1 3.85 (#peak 315)
&rst
ixpk= 315, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 479, 480, 481,
&end
#
# 30 ILE HB 31 VAL HN 4.21 (#peak 2142)
&rst
ixpk= 2142, nxpk= 0, iat= 470, 485, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 30 ILE HB 32 GLY HN 6.00 (#peak 2578)
&rst
ixpk= 2578, nxpk= 0, iat= 470, 501, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 ILE HG12 31 VAL HN 5.55 (#peak 2140)
&rst
ixpk= 2140, nxpk= 0, iat= 476, 485, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 30 ILE HG13 31 VAL HN 4.95 (#peak 2155)
&rst
ixpk= 2155, nxpk= 0, iat= 477, 485, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 30 ILE N 26 LYS O 3.3
&rst
ixpk= 2155, nxpk= 0, iat= 465, 416, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 30 ILE QD1 132 TYR HB3 6.12 (#peak 6461)
&rst
ixpk= 6461, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 479, 480, 481,
&end
#
# 30 ILE QD1 132 TYR QE 3.95 (#peak 6114)
&rst
ixpk= 6114, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 479, 480, 481,
igr2=1979,1984,
&end
#
# 30 ILE QD1 172 VAL QG1 4.83 (#peak 6191)
&rst
ixpk= 6191, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 479, 480, 481,
igr2=2633,2634,2635,
&end
#
# 30 ILE QD1 172 VAL QG2 4.58 (#peak 6192)
&rst
ixpk= 6192, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 479, 480, 481,
igr2=2637,2638,2639,
&end
#
# 30 ILE QD1 31 VAL HN 5.75 (#peak 2148)
&rst
ixpk= 2148, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 479, 480, 481,
&end
#
# 30 ILE QG2 30 ILE HG13 3.98 (#peak 2179)
&rst
ixpk= 2179, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 472, 473, 474,
&end
#
# 30 ILE QG2 30 ILE QD1 3.19 (#peak 318)
&rst
ixpk= 318, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 472, 473, 474,
igr2= 479, 480, 481,
&end
#
# 30 ILE QG2 31 VAL HN 4.32 (#peak 2143)
&rst
ixpk= 2143, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 472, 473, 474,
&end
#
# 30 ILE QG2 33 THR HB 4.45 (#peak 6417)
&rst
ixpk= 6417, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 472, 473, 474,
&end
#
# 31 VAL HN 27 ILE O 2.4
&rst
ixpk= 6417, nxpk= 0, iat= 485, 435, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 31 VAL HN 31 VAL HB 3.62 (#peak 2152)
&rst
ixpk= 2152, nxpk= 0, iat= 485, 489, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 31 VAL HN 31 VAL QG1 3.87 (#peak 2151)
&rst
ixpk= 2151, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 491, 492, 493,
&end
#
# 31 VAL HN 31 VAL QG2 3.86 (#peak 2145)
&rst
ixpk= 2145, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 495, 496, 497,
&end
#
# 31 VAL HN 32 GLY HN 3.98 (#peak 1022)
&rst
ixpk= 1022, nxpk= 0, iat= 485, 501, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 31 VAL HN 33 THR HN 5.08 (#peak 469)
&rst
ixpk= 469, nxpk= 0, iat= 485, 508, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 31 VAL HA 136 ILE QD1 3.83 (#peak 6530)
&rst
ixpk= 6530, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=2060,2061,2062,
&end
#
# 31 VAL HA 31 VAL QG1 3.90 (#peak 1087)
&rst
ixpk= 1087, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 491, 492, 493,
&end
#
# 31 VAL HA 31 VAL QG2 3.80 (#peak 1092)
&rst
ixpk= 1092, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 495, 496, 497,
&end
#
# 31 VAL HA 34 ALA HN 5.13 (#peak 558)
&rst
ixpk= 558, nxpk= 0, iat= 487, 522, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 31 VAL HB 32 GLY HN 4.41 (#peak 1020)
&rst
ixpk= 1020, nxpk= 0, iat= 489, 501, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 31 VAL HB 33 THR HN 6.15 (#peak 2556)
&rst
ixpk= 2556, nxpk= 0, iat= 489, 508, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 31 VAL N 27 ILE O 3.3
&rst
ixpk= 2556, nxpk= 0, iat= 484, 435, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 31 VAL QG1 32 GLY HN 4.05 (#peak 1019)
&rst
ixpk= 1019, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 491, 492, 493,
&end
#
# 31 VAL QG1 35 GLU QB 4.91 (#peak 5205)
&rst
ixpk= 5205, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 491, 492, 493,
igr2= 536, 537,
&end
#
# 31 VAL QG1 46 ILE QD1 3.17 (#peak 6385)
&rst
ixpk= 6385, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 491, 492, 493,
igr2= 692, 693, 694,
&end
#
# 31 VAL QG2 32 GLY HN 4.08 (#peak 1013)
&rst
ixpk= 1013, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 495, 496, 497,
&end
#
# 32 GLY HN 28 LEU O 2.4
&rst
ixpk= 1013, nxpk= 0, iat= 501, 454, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 32 GLY HN 33 THR HN 4.12 (#peak 1011)
&rst
ixpk= 1011, nxpk= 0, iat= 501, 508, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 32 GLY HN 34 ALA HN 4.59 (#peak 1012)
&rst
ixpk= 1012, nxpk= 0, iat= 501, 522, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 32 GLY HA2 34 ALA HN 5.41 (#peak 552)
&rst
ixpk= 552, nxpk= 0, iat= 503, 522, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 32 GLY HA2 46 ILE QD1 4.85 (#peak 5885)
&rst
ixpk= 5885, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 692, 693, 694,
&end
#
# 32 GLY HA3 33 THR QG2 6.15 (#peak 5920)
&rst
ixpk= 5920, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 514, 515, 516,
&end
#
# 32 GLY HA3 46 ILE QD1 5.79 (#peak 5884)
&rst
ixpk= 5884, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr2= 692, 693, 694,
&end
#
# 32 GLY N 28 LEU O 3.3
&rst
ixpk= 5884, nxpk= 0, iat= 500, 454, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 33 THR HN 29 ALA O 2.4
&rst
ixpk= 5884, nxpk= 0, iat= 508, 464, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 33 THR HN 33 THR HG1 3.89 (#peak 9234)
&rst
ixpk= 9234, nxpk= 0, iat= 508, 518, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 33 THR HN 33 THR QG2 6.15 (#peak 464)
&rst
ixpk= 464, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 514, 515, 516,
&end
#
# 33 THR HN 34 ALA HN 3.80 (#peak 460)
&rst
ixpk= 460, nxpk= 0, iat= 508, 522, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 33 THR HN 46 ILE QG2 4.82 (#peak 2680)
&rst
ixpk= 2680, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 685, 686, 687,
&end
#
# 33 THR HA 33 THR HG1 3.84 (#peak 9235)
&rst
ixpk= 9235, nxpk= 0, iat= 510, 518, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 33 THR HA 47 THR HA 6.15 (#peak 6212)
&rst
ixpk= 6212, nxpk= 0, iat= 510, 700, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 33 THR HA 59 LEU QD1 5.66 (#peak 5899)
&rst
ixpk= 5899, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2= 903, 904, 905,
&end
#
# 33 THR HB 34 ALA HN 5.55 (#peak 559)
&rst
ixpk= 559, nxpk= 0, iat= 512, 522, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 33 THR HB 36 SER HN 6.11 (#peak 2584)
&rst
ixpk= 2584, nxpk= 0, iat= 512, 547, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 33 THR HB 59 LEU HB2 5.64 (#peak 5937)
&rst
ixpk= 5937, nxpk= 0, iat= 512, 898, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 33 THR HB 59 LEU HG 5.84 (#peak 5897)
&rst
ixpk= 5897, nxpk= 0, iat= 512, 901, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 33 THR HB 60 GLY HN 5.28 (#peak 2740)
&rst
ixpk= 2740, nxpk= 0, iat= 512, 913, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 33 THR HB 60 GLY HA3 5.82 (#peak 6452)
&rst
ixpk= 6452, nxpk= 0, iat= 512, 916, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 33 THR HG1 60 GLY HN 5.84 (#peak 2737)
&rst
ixpk= 2737, nxpk= 0, iat= 518, 913, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 33 THR N 29 ALA O 3.3
&rst
ixpk= 2737, nxpk= 0, iat= 507, 464, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 33 THR QG2 34 ALA HN 5.99 (#peak 555)
&rst
ixpk= 555, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 514, 515, 516,
&end
#
# 33 THR QG2 35 GLU HN 6.15 (#peak 2516)
&rst
ixpk= 2516, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 514, 515, 516,
&end
#
# 33 THR QG2 59 LEU HB3 5.39 (#peak 5902)
&rst
ixpk= 5902, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 514, 515, 516,
&end
#
# 33 THR QG2 59 LEU HG 5.63 (#peak 5903)
&rst
ixpk= 5903, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 514, 515, 516,
&end
#
# 33 THR QG2 59 LEU QD1 4.18 (#peak 5900)
&rst
ixpk= 5900, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 514, 515, 516,
igr2= 903, 904, 905,
&end
#
# 33 THR QG2 60 GLY HN 4.75 (#peak 2739)
&rst
ixpk= 2739, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 514, 515, 516,
&end
#
# 33 THR QG2 60 GLY HA2 3.79 (#peak 5471)
&rst
ixpk= 5471, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 514, 515, 516,
&end
#
# 33 THR QG2 60 GLY HA3 4.10 (#peak 6441)
&rst
ixpk= 6441, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 514, 515, 516,
&end
#
# 33 THR QG2 61 THR HN 4.10 (#peak 2383)
&rst
ixpk= 2383, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 514, 515, 516,
&end
#
# 33 THR QG2 61 THR HA 4.13 (#peak 5960)
&rst
ixpk= 5960, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 514, 515, 516,
&end
#
# 34 ALA HN 34 ALA QB 4.09 (#peak 554)
&rst
ixpk= 554, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 526, 527, 528,
&end
#
# 34 ALA HN 35 GLU HN 4.54 (#peak 1252)
&rst
ixpk= 1252, nxpk= 0, iat= 522, 532, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 34 ALA HN 36 SER HN 4.38 (#peak 553)
&rst
ixpk= 553, nxpk= 0, iat= 522, 547, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 34 ALA HN 63 ILE QD1 6.15 (#peak 2682)
&rst
ixpk= 2682, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 958, 959, 960,
&end
#
# 34 ALA HA 37 ASN HN 5.96 (#peak 2086)
&rst
ixpk= 2086, nxpk= 0, iat= 524, 558, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 34 ALA HA 63 ILE HB 5.95 (#peak 4744)
&rst
ixpk= 4744, nxpk= 0, iat= 524, 949, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 34 ALA HA 63 ILE QD1 6.15 (#peak 4576)
&rst
ixpk= 4576, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 958, 959, 960,
&end
#
# 34 ALA QB 35 GLU HN 4.51 (#peak 1256)
&rst
ixpk= 1256, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 526, 527, 528,
&end
#
# 34 ALA QB 35 GLU HA 4.42 (#peak 5207)
&rst
ixpk= 5207, nxpk= 0, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 526, 527, 528,
&end
#
# 34 ALA QB 35 GLU QB 6.06 (#peak 5206)
&rst
ixpk= 5206, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1= 526, 527, 528,
igr2= 536, 537,
&end
#
# 34 ALA QB 36 SER HN 5.81 (#peak 2664)
&rst
ixpk= 2664, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 526, 527, 528,
&end
#
# 35 GLU HN 36 SER HN 4.25 (#peak 1255)
&rst
ixpk= 1255, nxpk= 0, iat= 532, 547, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 35 GLU HN 36 SER QB 4.42 (#peak 2662)
&rst
ixpk= 2662, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 551, 552,
&end
#
# 35 GLU HN 47 THR HB 6.02 (#peak 2332)
&rst
ixpk= 2332, nxpk= 0, iat= 532, 702, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 35 GLU HA 39 GLU HB3 6.03 (#peak 5982)
&rst
ixpk= 5982, nxpk= 0, iat= 534, 588, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 35 GLU HA 39 GLU QG 4.28 (#peak 5983)
&rst
ixpk= 5983, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 590, 591,
&end
#
# 35 GLU QB 36 SER HN 5.72 (#peak 1136)
&rst
ixpk= 1136, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 536, 537,
&end
#
# 35 GLU QB 36 SER HA 5.30 (#peak 6256)
&rst
ixpk= 6256, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 536, 537,
&end
#
# 35 GLU QB 43 GLY HA3 6.15 (#peak 5925)
&rst
ixpk= 5925, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 536, 537,
&end
#
# 35 GLU QB 46 ILE QG2 3.83 (#peak 6294)
&rst
ixpk= 6294, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 536, 537,
igr2= 685, 686, 687,
&end
#
# 35 GLU QB 47 THR QG2 5.03 (#peak 4590)
&rst
ixpk= 4590, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 536, 537,
igr2= 704, 705, 706,
&end
#
# 36 SER HN 37 ASN HN 4.05 (#peak 1145)
&rst
ixpk= 1145, nxpk= 0, iat= 547, 558, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 36 SER HN 47 THR QG2 5.99 (#peak 2313)
&rst
ixpk= 2313, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2= 704, 705, 706,
&end
#
# 36 SER HN 63 ILE QD1 6.15 (#peak 2663)
&rst
ixpk= 2663, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 958, 959, 960,
&end
#
# 36 SER HA 47 THR QG2 4.13 (#peak 5942)
&rst
ixpk= 5942, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 704, 705, 706,
&end
#
# 36 SER QB 37 ASN HN 6.08 (#peak 2096)
&rst
ixpk= 2096, nxpk= 0, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 551, 552,
&end
#
# 36 SER QB 47 THR HB 5.34 (#peak 5209)
&rst
ixpk= 5209, nxpk= 0, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 551, 552,
&end
#
# 37 ASN HN 37 ASN HB2 4.16 (#peak 2089)
&rst
ixpk= 2089, nxpk= 0, iat= 558, 562, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 37 ASN HN 37 ASN HB3 3.95 (#peak 2095)
&rst
ixpk= 2095, nxpk= 0, iat= 558, 563, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 37 ASN HN 47 THR QG2 6.15 (#peak 2597)
&rst
ixpk= 2597, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 704, 705, 706,
&end
#
# 37 ASN HN 65 PHE QD 6.15 (#peak 2719)
&rst
ixpk= 2719, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 984, 992,
&end
#
# 37 ASN HB2 38 SER HN 5.84 (#peak 1028)
&rst
ixpk= 1028, nxpk= 0, iat= 562, 572, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 37 ASN HB3 38 SER HN 4.97 (#peak 1033)
&rst
ixpk= 1033, nxpk= 0, iat= 563, 572, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 38 SER HN 39 GLU HN 6.15 (#peak 1035)
&rst
ixpk= 1035, nxpk= 0, iat= 572, 583, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 38 SER HN 63 ILE QD1 5.83 (#peak 2720)
&rst
ixpk= 2720, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 958, 959, 960,
&end
#
# 38 SER HN 65 PHE QD 5.90 (#peak 2718)
&rst
ixpk= 2718, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 984, 992,
&end
#
# 38 SER HA 39 GLU QG 5.97 (#peak 6283)
&rst
ixpk= 6283, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 590, 591,
&end
#
# 38 SER QB 40 HIS HN 6.15 (#peak 2458)
&rst
ixpk= 2458, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 576, 577,
&end
#
# 39 GLU HN 39 GLU QG 5.44 (#peak 2116)
&rst
ixpk= 2116, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 590, 591,
&end
#
# 39 GLU HA 39 GLU QG 3.87 (#peak 3994)
&rst
ixpk= 3994, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 590, 591,
&end
#
# 39 GLU HB2 39 GLU QG 2.68 (#peak 3306)
&rst
ixpk= 3306, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2= 590, 591,
&end
#
# 39 GLU HB3 40 HIS HB2 6.15 (#peak 5227)
&rst
ixpk= 5227, nxpk= 0, iat= 588, 602, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 39 GLU QG 40 HIS HA 6.08 (#peak 5231)
&rst
ixpk= 5231, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 590, 591,
&end
#
# 40 HIS HA 41 PRO HB2 6.15 (#peak 6268)
&rst
ixpk= 6268, nxpk= 0, iat= 600, 622, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 40 HIS HB2 41 PRO HD2 6.03 (#peak 6506)
&rst
ixpk= 6506, nxpk= 0, iat= 602, 616, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 40 HIS HB2 41 PRO HD3 6.15 (#peak 5234)
&rst
ixpk= 5234, nxpk= 0, iat= 602, 617, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 40 HIS HB2 43 GLY HN 6.15 (#peak 2464)
&rst
ixpk= 2464, nxpk= 0, iat= 602, 648, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 40 HIS HB3 41 PRO HD2 6.15 (#peak 6507)
&rst
ixpk= 6507, nxpk= 0, iat= 603, 616, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 40 HIS HB3 41 PRO HD3 6.03 (#peak 5233)
&rst
ixpk= 5233, nxpk= 0, iat= 603, 617, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 40 HIS HB3 43 GLY HN 6.15 (#peak 2463)
&rst
ixpk= 2463, nxpk= 0, iat= 603, 648, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 41 PRO HA 42 LEU QD2 5.85 (#peak 6307)
&rst
ixpk= 6307, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2= 642, 643, 644,
&end
#
# 41 PRO HA 44 THR QG2 5.45 (#peak 5980)
&rst
ixpk= 5980, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 661, 662, 663,
&end
#
# 42 LEU HN 43 GLY HN 4.04 (#peak 1879)
&rst
ixpk= 1879, nxpk= 0, iat= 629, 648, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 42 LEU HA 42 LEU QD1 4.83 (#peak 2468)
&rst
ixpk= 2468, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 638, 639, 640,
&end
#
# 42 LEU HA 42 LEU QD2 4.42 (#peak 1509)
&rst
ixpk= 1509, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 642, 643, 644,
&end
#
# 42 LEU HA 45 ALA HN 4.19 (#peak 684)
&rst
ixpk= 684, nxpk= 0, iat= 631, 669, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 42 LEU HA 45 ALA QB 4.73 (#peak 6509)
&rst
ixpk= 6509, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 673, 674, 675,
&end
#
# 42 LEU HA 46 ILE HN 5.99 (#peak 2317)
&rst
ixpk= 2317, nxpk= 0, iat= 631, 679, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 42 LEU HB2 42 LEU QD1 3.74 (#peak 2472)
&rst
ixpk= 2472, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 638, 639, 640,
&end
#
# 42 LEU HB2 42 LEU QD2 3.76 (#peak 3147)
&rst
ixpk= 3147, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 642, 643, 644,
&end
#
# 42 LEU HB2 43 GLY HN 5.86 (#peak 1880)
&rst
ixpk= 1880, nxpk= 0, iat= 633, 648, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 42 LEU HB2 44 THR HN 6.05 (#peak 2652)
&rst
ixpk= 2652, nxpk= 0, iat= 633, 655, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 42 LEU HB2 45 ALA QB 6.15 (#peak 5245)
&rst
ixpk= 5245, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 673, 674, 675,
&end
#
# 42 LEU HB3 42 LEU QD1 3.33 (#peak 2466)
&rst
ixpk= 2466, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 638, 639, 640,
&end
#
# 42 LEU HB3 42 LEU QD2 4.02 (#peak 1863)
&rst
ixpk= 1863, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 642, 643, 644,
&end
#
# 42 LEU HB3 43 GLY HN 6.15 (#peak 1878)
&rst
ixpk= 1878, nxpk= 0, iat= 634, 648, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 42 LEU HB3 46 ILE HN 6.15 (#peak 2467)
&rst
ixpk= 2467, nxpk= 0, iat= 634, 679, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 42 LEU HB3 46 ILE QD1 4.71 (#peak 5551)
&rst
ixpk= 5551, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 692, 693, 694,
&end
#
# 42 LEU QD1 46 ILE QD1 4.37 (#peak 5553)
&rst
ixpk= 5553, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 638, 639, 640,
igr2= 692, 693, 694,
&end
#
# 42 LEU QD2 43 GLY HN 4.74 (#peak 1881)
&rst
ixpk= 1881, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 642, 643, 644,
&end
#
# 43 GLY HN 44 THR HN 3.95 (#peak 1596)
&rst
ixpk= 1596, nxpk= 0, iat= 648, 655, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 43 GLY HN 45 ALA HN 5.04 (#peak 1884)
&rst
ixpk= 1884, nxpk= 0, iat= 648, 669, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 43 GLY HN 46 ILE HN 6.15 (#peak 2229)
&rst
ixpk= 2229, nxpk= 0, iat= 648, 679, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 43 GLY HA2 45 ALA HN 4.92 (#peak 682)
&rst
ixpk= 682, nxpk= 0, iat= 650, 669, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 43 GLY HA2 46 ILE HB 6.12 (#peak 3423)
&rst
ixpk= 3423, nxpk= 0, iat= 650, 683, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end
#
# 43 GLY HA2 46 ILE QD1 5.47 (#peak 6207)
&rst
ixpk= 6207, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 692, 693, 694,
&end
#
# 43 GLY HA2 46 ILE QG2 6.15 (#peak 4495)
&rst
ixpk= 4495, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 685, 686, 687,
&end
#
# 43 GLY HA2 47 THR HN 5.99 (#peak 1286)
&rst
ixpk= 1286, nxpk= 0, iat= 650, 698, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 43 GLY HA3 45 ALA HN 5.22 (#peak 679)
&rst
ixpk= 679, nxpk= 0, iat= 651, 669, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 43 GLY HA3 46 ILE QD1 5.02 (#peak 4493)
&rst
ixpk= 4493, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 692, 693, 694,
&end
#
# 43 GLY HA3 46 ILE QG2 6.15 (#peak 4609)
&rst
ixpk= 4609, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 685, 686, 687,
&end
#
# 43 GLY HA3 47 THR HN 6.15 (#peak 1282)
&rst
ixpk= 1282, nxpk= 0, iat= 651, 698, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 44 THR HN 44 THR HB 4.07 (#peak 1593)
&rst
ixpk= 1593, nxpk= 0, iat= 655, 659, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 44 THR HN 44 THR QG2 4.46 (#peak 1595)
&rst
ixpk= 1595, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 661, 662, 663,
&end
#
# 44 THR HN 45 ALA HN 4.01 (#peak 1590)
&rst
ixpk= 1590, nxpk= 0, iat= 655, 669, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 44 THR HN 45 ALA QB 5.91 (#peak 2686)
&rst
ixpk= 2686, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr2= 673, 674, 675,
&end
#
# 44 THR HN 46 ILE HN 4.54 (#peak 1589)
&rst
ixpk= 1589, nxpk= 0, iat= 655, 679, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 44 THR HA 44 THR QG2 3.38 (#peak 4391)
&rst
ixpk= 4391, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 661, 662, 663,
&end
#
# 44 THR HA 46 ILE HN 6.15 (#peak 650)
&rst
ixpk= 650, nxpk= 0, iat= 657, 679, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 44 THR HB 48 LYS HG3 5.33 (#peak 5984)
&rst
ixpk= 5984, nxpk= 0, iat= 659, 720, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 44 THR QG2 45 ALA HN 4.97 (#peak 688)
&rst
ixpk= 688, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 661, 662, 663,
&end
#
# 45 ALA HN 45 ALA QB 3.43 (#peak 683)
&rst
ixpk= 683, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 673, 674, 675,
&end
#
# 45 ALA HN 46 ILE HN 4.46 (#peak 2695)
&rst
ixpk= 2695, nxpk= 0, iat= 669, 679, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 45 ALA HN 47 THR HN 4.95 (#peak 686)
&rst
ixpk= 686, nxpk= 0, iat= 669, 698, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 45 ALA HA 46 ILE HA 6.15 (#peak 6208)
&rst
ixpk= 6208, nxpk= 0, iat= 671, 681, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 45 ALA HA 48 LYS HG3 4.87 (#peak 5916)
&rst
ixpk= 5916, nxpk= 0, iat= 671, 720, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 45 ALA HA 48 LYS QB 3.94 (#peak 1840)
&rst
ixpk= 1840, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 716, 717,
&end
#
# 45 ALA QB 46 ILE HN 5.80 (#peak 656)
&rst
ixpk= 656, nxpk= 0, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 673, 674, 675,
&end
#
# 45 ALA QB 47 THR HN 5.84 (#peak 2685)
&rst
ixpk= 2685, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 673, 674, 675,
&end
#
# 46 ILE HN 46 ILE HG12 6.06 (#peak 653)
&rst
ixpk= 653, nxpk= 0, iat= 679, 689, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 46 ILE HN 46 ILE HG13 5.78 (#peak 662)
&rst
ixpk= 662, nxpk= 0, iat= 679, 690, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 46 ILE HN 46 ILE QD1 6.15 (#peak 660)
&rst
ixpk= 660, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 692, 693, 694,
&end
#
# 46 ILE HN 46 ILE QG2 5.98 (#peak 657)
&rst
ixpk= 657, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2= 685, 686, 687,
&end
#
# 46 ILE HN 47 THR HN 3.71 (#peak 1283)
&rst
ixpk= 1283, nxpk= 0, iat= 679, 698, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 46 ILE HN 48 LYS HN 4.50 (#peak 189)
&rst
ixpk= 189, nxpk= 0, iat= 679, 712, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 ILE HA 46 ILE QD1 4.47 (#peak 1590)
&rst
ixpk= 1590, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 692, 693, 694,
&end
#
# 46 ILE HA 49 TYR QB 6.15 (#peak 4499)
&rst
ixpk= 4499, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 738, 739,
&end
#
# 46 ILE HA 49 TYR QD 5.42 (#peak 9198)
&rst
ixpk= 9198, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 742, 751,
&end
#
# 46 ILE HA 49 TYR QE 6.15 (#peak 9199)
&rst
ixpk= 9199, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 744, 749,
&end
#
# 46 ILE HB 46 ILE QD1 3.88 (#peak 3955)
&rst
ixpk= 3955, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 692, 693, 694,
&end
#
# 46 ILE HB 47 THR HN 4.42 (#peak 1295)
&rst
ixpk= 1295, nxpk= 0, iat= 683, 698, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 46 ILE HG12 47 THR HN 5.35 (#peak 1284)
&rst
ixpk= 1284, nxpk= 0, iat= 689, 698, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 46 ILE HG13 47 THR HN 5.11 (#peak 1293)
&rst
ixpk= 1293, nxpk= 0, iat= 690, 698, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 46 ILE QD1 47 THR HN 4.55 (#peak 1291)
&rst
ixpk= 1291, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 692, 693, 694,
&end
#
# 46 ILE QG2 46 ILE HG13 3.61 (#peak 3100)
&rst
ixpk= 3100, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 685, 686, 687,
&end
#
# 46 ILE QG2 46 ILE QD1 3.08 (#peak 3101)
&rst
ixpk= 3101, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 685, 686, 687,
igr2= 692, 693, 694,
&end
#
# 46 ILE QG2 47 THR HN 4.38 (#peak 1287)
&rst
ixpk= 1287, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 685, 686, 687,
&end
#
# 46 ILE QG2 48 LYS HN 6.10 (#peak 2594)
&rst
ixpk= 2594, nxpk= 0, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 685, 686, 687,
&end
#
# 46 ILE QG2 49 TYR HN 6.15 (#peak 2595)
&rst
ixpk= 2595, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 685, 686, 687,
&end
#
# 46 ILE QG2 49 TYR QB 4.86 (#peak 6214)
&rst
ixpk= 6214, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 685, 686, 687,
igr2= 738, 739,
&end
#
# 47 THR HN 43 GLY O 2.4
&rst
ixpk= 6214, nxpk= 0, iat= 698, 653, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 47 THR HN 47 THR HB 3.77 (#peak 1280)
&rst
ixpk= 1280, nxpk= 0, iat= 698, 702, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 47 THR HN 47 THR QG2 4.04 (#peak 1288)
&rst
ixpk= 1288, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 704, 705, 706,
&end
#
# 47 THR HN 48 LYS HN 4.17 (#peak 194)
&rst
ixpk= 194, nxpk= 0, iat= 698, 712, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 47 THR HN 49 TYR HN 5.24 (#peak 1296)
&rst
ixpk= 1296, nxpk= 0, iat= 698, 734, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 47 THR HA 49 TYR HN 5.87 (#peak 1611)
&rst
ixpk= 1611, nxpk= 0, iat= 700, 734, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 47 THR HA 50 CYS HN 4.19 (#peak 930)
&rst
ixpk= 930, nxpk= 0, iat= 700, 755, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 47 THR HA 50 CYS HB2 6.03 (#peak 4500)
&rst
ixpk= 4500, nxpk= 0, iat= 700, 759, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 47 THR HA 50 CYS HB3 6.15 (#peak 4501)
&rst
ixpk= 4501, nxpk= 0, iat= 700, 760, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 47 THR HA 51 LYS HN 5.70 (#peak 1358)
&rst
ixpk= 1358, nxpk= 0, iat= 700, 766, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 47 THR HA 59 LEU QD1 5.56 (#peak 6420)
&rst
ixpk= 6420, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2= 903, 904, 905,
&end
#
# 47 THR HB 48 LYS HN 4.31 (#peak 186)
&rst
ixpk= 186, nxpk= 0, iat= 702, 712, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 47 THR HB 59 LEU QD1 5.58 (#peak 5943)
&rst
ixpk= 5943, nxpk= 0, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 903, 904, 905,
&end
#
# 47 THR N 43 GLY O 3.3
&rst
ixpk= 5943, nxpk= 0, iat= 697, 653, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 47 THR QG2 48 LYS HN 4.24 (#peak 191)
&rst
ixpk= 191, nxpk= 0, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 704, 705, 706,
&end
#
# 48 LYS HN 44 THR O 2.4
&rst
ixpk= 191, nxpk= 0, iat= 712, 667, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 48 LYS HN 48 LYS HG2 5.71 (#peak 195)
&rst
ixpk= 195, nxpk= 0, iat= 712, 719, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 48 LYS HN 48 LYS HG3 6.15 (#peak 198)
&rst
ixpk= 198, nxpk= 0, iat= 712, 720, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 48 LYS HN 48 LYS QB 3.29 (#peak 184)
&rst
ixpk= 184, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 716, 717,
&end
#
# 48 LYS HN 49 TYR HN 4.13 (#peak 1607)
&rst
ixpk= 1607, nxpk= 0, iat= 712, 734, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 48 LYS HN 49 TYR QB 5.14 (#peak 2687)
&rst
ixpk= 2687, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 738, 739,
&end
#
# 48 LYS HN 50 CYS HN 5.08 (#peak 190)
&rst
ixpk= 190, nxpk= 0, iat= 712, 755, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 48 LYS HA 51 LYS QB 6.04 (#peak 1139)
&rst
ixpk= 1139, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr2= 770, 771,
&end
#
# 48 LYS HA 52 GLN HB2 6.15 (#peak 6213)
&rst
ixpk= 6213, nxpk= 0, iat= 714, 792, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 48 LYS HG2 49 TYR HN 6.15 (#peak 1616)
&rst
ixpk= 1616, nxpk= 0, iat= 719, 734, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 48 LYS HG2 52 GLN HB2 6.15 (#peak 5267)
&rst
ixpk= 5267, nxpk= 0, iat= 719, 792, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 48 LYS HG3 49 TYR HN 6.15 (#peak 1619)
&rst
ixpk= 1619, nxpk= 0, iat= 720, 734, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 48 LYS N 44 THR O 3.3
&rst
ixpk= 1619, nxpk= 0, iat= 711, 667, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 48 LYS QB 49 TYR HN 3.95 (#peak 1606)
&rst
ixpk= 1606, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 716, 717,
&end
#
# 49 TYR HN 45 ALA O 2.4
&rst
ixpk= 1606, nxpk= 0, iat= 734, 677, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 49 TYR HN 49 TYR QB 3.36 (#peak 1620)
&rst
ixpk= 1620, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 738, 739,
&end
#
# 49 TYR HN 49 TYR QD 4.32 (#peak 1615)
&rst
ixpk= 1615, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 742, 751,
&end
#
# 49 TYR HN 50 CYS HN 3.83 (#peak 1610)
&rst
ixpk= 1610, nxpk= 0, iat= 734, 755, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 49 TYR HA 49 TYR QD 5.35 (#peak 536)
&rst
ixpk= 536, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 742, 751,
&end
#
# 49 TYR HA 51 LYS HN 6.15 (#peak 1351)
&rst
ixpk= 1351, nxpk= 0, iat= 736, 766, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 49 TYR HA 52 GLN HN 6.15 (#peak 1327)
&rst
ixpk= 1327, nxpk= 0, iat= 736, 788, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 49 TYR HA 52 GLN HB2 4.95 (#peak 2380)
&rst
ixpk= 2380, nxpk= 0, iat= 736, 792, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 49 TYR HA 52 GLN HB3 4.16 (#peak 2363)
&rst
ixpk= 2363, nxpk= 0, iat= 736, 793, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 49 TYR HA 53 GLU HN 5.89 (#peak 1633)
&rst
ixpk= 1633, nxpk= 0, iat= 736, 805, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 49 TYR N 45 ALA O 3.3
&rst
ixpk= 1633, nxpk= 0, iat= 733, 677, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 49 TYR QB 50 CYS HN 4.09 (#peak 936)
&rst
ixpk= 936, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 738, 739,
&end
#
# 49 TYR QB 50 CYS HA 5.50 (#peak 6261)
&rst
ixpk= 6261, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 738, 739,
&end
#
# 49 TYR QB 50 CYS HB3 6.15 (#peak 5527)
&rst
ixpk= 5527, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 738, 739,
&end
#
# 49 TYR QB 52 GLN HB3 6.15 (#peak 5928)
&rst
ixpk= 5928, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 738, 739,
&end
#
# 49 TYR QD 50 CYS HN 6.15 (#peak 933)
&rst
ixpk= 933, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 742, 751,
&end
#
# 49 TYR QD 50 CYS HA 6.15 (#peak 6435)
&rst
ixpk= 6435, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 742, 751,
&end
#
# 49 TYR QE 50 CYS HA 6.15 (#peak 6436)
&rst
ixpk= 6436, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 744, 749,
&end
#
# 50 CYS HN 50 CYS HB2 3.71 (#peak 937)
&rst
ixpk= 937, nxpk= 0, iat= 755, 759, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 50 CYS HN 51 LYS HN 3.18 (#peak 932)
&rst
ixpk= 932, nxpk= 0, iat= 755, 766, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 50 CYS HA 53 GLU HB2 5.22 (#peak 2135)
&rst
ixpk= 2135, nxpk= 0, iat= 757, 809, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 50 CYS HA 53 GLU HG2 5.30 (#peak 5927)
&rst
ixpk= 5927, nxpk= 0, iat= 757, 812, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 50 CYS HA 54 LEU HG 6.15 (#peak 5528)
&rst
ixpk= 5528, nxpk= 0, iat= 757, 827, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 50 CYS HA 54 LEU QD2 4.68 (#peak 6260)
&rst
ixpk= 6260, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 833, 834, 835,
&end
#
# 50 CYS HB2 51 LYS HN 4.79 (#peak 1363)
&rst
ixpk= 1363, nxpk= 0, iat= 759, 766, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 50 CYS HB2 54 LEU QD2 5.90 (#peak 5296)
&rst
ixpk= 5296, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 833, 834, 835,
&end
#
# 50 CYS HB3 51 LYS HN 4.93 (#peak 1355)
&rst
ixpk= 1355, nxpk= 0, iat= 760, 766, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 50 CYS HB3 54 LEU QD2 5.50 (#peak 5295)
&rst
ixpk= 5295, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 833, 834, 835,
&end
#
# 51 LYS HN 51 LYS QB 3.78 (#peak 1352)
&rst
ixpk= 1352, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 770, 771,
&end
#
# 51 LYS HN 51 LYS QD 5.97 (#peak 1357)
&rst
ixpk= 1357, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 776, 777,
&end
#
# 51 LYS HN 51 LYS QG 4.15 (#peak 1349)
&rst
ixpk= 1349, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 773, 774,
&end
#
# 51 LYS HN 52 GLN HN 6.06 (#peak 1359)
&rst
ixpk= 1359, nxpk= 0, iat= 766, 788, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 51 LYS HN 53 GLU HN 4.77 (#peak 1643)
&rst
ixpk= 1643, nxpk= 0, iat= 766, 805, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 51 LYS HN 59 LEU QD1 4.97 (#peak 2593)
&rst
ixpk= 2593, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 903, 904, 905,
&end
#
# 51 LYS HA 51 LYS QD 4.73 (#peak 2009)
&rst
ixpk= 2009, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 776, 777,
&end
#
# 51 LYS HA 51 LYS QG 3.93 (#peak 2004)
&rst
ixpk= 2004, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 773, 774,
&end
#
# 51 LYS HA 52 GLN HA 6.15 (#peak 6219)
&rst
ixpk= 6219, nxpk= 0, iat= 768, 790, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 51 LYS HA 54 LEU QD1 4.71 (#peak 6402)
&rst
ixpk= 6402, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 829, 830, 831,
&end
#
# 51 LYS HA 54 LEU QD2 4.32 (#peak 6401)
&rst
ixpk= 6401, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 833, 834, 835,
&end
#
# 51 LYS HA 56 THR HN 6.15 (#peak 2491)
&rst
ixpk= 2491, nxpk= 0, iat= 768, 851, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 51 LYS HA 59 LEU QD1 4.75 (#peak 5940)
&rst
ixpk= 5940, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 903, 904, 905,
&end
#
# 51 LYS QB 51 LYS QD 3.66 (#peak 1138)
&rst
ixpk= 1138, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 770, 771,
igr2= 776, 777,
&end
#
# 51 LYS QB 54 LEU HN 5.91 (#peak 2489)
&rst
ixpk= 2489, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 770, 771,
&end
#
# 51 LYS QB 55 ASP HN 6.15 (#peak 2543)
&rst
ixpk= 2543, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 770, 771,
&end
#
# 51 LYS QB 56 THR HN 5.98 (#peak 2490)
&rst
ixpk= 2490, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 770, 771,
&end
#
# 51 LYS QB 57 GLU HA 5.38 (#peak 5464)
&rst
ixpk= 5464, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 770, 771,
&end
#
# 51 LYS QB 59 LEU HG 6.11 (#peak 6215)
&rst
ixpk= 6215, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 770, 771,
&end
#
# 51 LYS QB 59 LEU QD1 4.01 (#peak 6399)
&rst
ixpk= 6399, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 770, 771,
igr2= 903, 904, 905,
&end
#
# 51 LYS QD 52 GLN HN 5.88 (#peak 1335)
&rst
ixpk= 1335, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 776, 777,
&end
#
# 51 LYS QD 52 GLN HG2 5.39 (#peak 6216)
&rst
ixpk= 6216, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 776, 777,
&end
#
# 51 LYS QD 52 GLN HG3 5.74 (#peak 6217)
&rst
ixpk= 6217, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 776, 777,
&end
#
# 51 LYS QD 56 THR HB 5.53 (#peak 6323)
&rst
ixpk= 6323, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 776, 777,
&end
#
# 51 LYS QD 56 THR QG2 4.58 (#peak 6322)
&rst
ixpk= 6322, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 776, 777,
igr2= 857, 858, 859,
&end
#
# 51 LYS QD 57 GLU HA 5.20 (#peak 5461)
&rst
ixpk= 5461, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 776, 777,
&end
#
# 51 LYS QG 52 GLN HN 6.15 (#peak 1325)
&rst
ixpk= 1325, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 773, 774,
&end
#
# 51 LYS QG 54 LEU QB 5.45 (#peak 5301)
&rst
ixpk= 5301, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 773, 774,
igr2= 824, 825,
&end
#
# 51 LYS QG 55 ASP HN 6.15 (#peak 2544)
&rst
ixpk= 2544, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 773, 774,
&end
#
# 52 GLN HN 52 GLN HG2 5.76 (#peak 1332)
&rst
ixpk= 1332, nxpk= 0, iat= 788, 795, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 52 GLN HN 52 GLN HG3 5.99 (#peak 1339)
&rst
ixpk= 1339, nxpk= 0, iat= 788, 796, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 52 GLN HN 53 GLU HN 3.81 (#peak 1338)
&rst
ixpk= 1338, nxpk= 0, iat= 788, 805, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 52 GLN HA 52 GLN HG3 4.03 (#peak 4365)
&rst
ixpk= 4365, nxpk= 0, iat= 790, 796, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 52 GLN HA 53 GLU HA 6.15 (#peak 6220)
&rst
ixpk= 6220, nxpk= 0, iat= 790, 807, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 52 GLN HB2 52 GLN HG2 2.86 (#peak 1817)
&rst
ixpk= 1817, nxpk= 0, iat= 792, 795, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 52 GLN HB2 52 GLN HG3 2.99 (#peak 4363)
&rst
ixpk= 4363, nxpk= 0, iat= 792, 796, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 52 GLN HB2 53 GLU HN 5.77 (#peak 1648)
&rst
ixpk= 1648, nxpk= 0, iat= 792, 805, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 52 GLN HB2 53 GLU HA 6.15 (#peak 5273)
&rst
ixpk= 5273, nxpk= 0, iat= 792, 807, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 52 GLN HB3 53 GLU HN 5.73 (#peak 1634)
&rst
ixpk= 1634, nxpk= 0, iat= 793, 805, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 52 GLN HB3 53 GLU HA 5.81 (#peak 5274)
&rst
ixpk= 5274, nxpk= 0, iat= 793, 807, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 52 GLN HG2 53 GLU HN 5.88 (#peak 1637)
&rst
ixpk= 1637, nxpk= 0, iat= 795, 805, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 52 GLN HG3 53 GLU HN 5.99 (#peak 1647)
&rst
ixpk= 1647, nxpk= 0, iat= 796, 805, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 53 GLU HN 49 TYR O 2.4
&rst
ixpk= 1647, nxpk= 0, iat= 805, 753, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 53 GLU HN 53 GLU HG2 6.15 (#peak 1638)
&rst
ixpk= 1638, nxpk= 0, iat= 805, 812, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 53 GLU HN 53 GLU HG3 5.91 (#peak 1644)
&rst
ixpk= 1644, nxpk= 0, iat= 805, 813, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 53 GLU HN 54 LEU HN 4.23 (#peak 2044)
&rst
ixpk= 2044, nxpk= 0, iat= 805, 820, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 53 GLU HN 55 ASP HN 4.86 (#peak 1645)
&rst
ixpk= 1645, nxpk= 0, iat= 805, 839, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 53 GLU HA 54 LEU QD2 5.75 (#peak 5926)
&rst
ixpk= 5926, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2= 833, 834, 835,
&end
#
# 53 GLU HA 55 ASP HN 5.01 (#peak 1444)
&rst
ixpk= 1444, nxpk= 0, iat= 807, 839, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 53 GLU HA 55 ASP HA 6.15 (#peak 6223)
&rst
ixpk= 6223, nxpk= 0, iat= 807, 841, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 53 GLU HB2 54 LEU HN 5.17 (#peak 2037)
&rst
ixpk= 2037, nxpk= 0, iat= 809, 820, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 53 GLU HG2 54 LEU HN 6.15 (#peak 2036)
&rst
ixpk= 2036, nxpk= 0, iat= 812, 820, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 53 GLU HG2 54 LEU QD2 5.76 (#peak 6036)
&rst
ixpk= 6036, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2= 833, 834, 835,
&end
#
# 53 GLU HG3 54 LEU HN 6.15 (#peak 2042)
&rst
ixpk= 2042, nxpk= 0, iat= 813, 820, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 53 GLU HG3 54 LEU QD2 5.74 (#peak 6037)
&rst
ixpk= 6037, nxpk= 0, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2= 833, 834, 835,
&end
#
# 53 GLU N 49 TYR O 3.3
&rst
ixpk= 6037, nxpk= 0, iat= 804, 753, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 54 LEU HN 50 CYS O 2.4
&rst
ixpk= 6037, nxpk= 0, iat= 820, 764, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 54 LEU HN 54 LEU HG 4.22 (#peak 2032)
&rst
ixpk= 2032, nxpk= 0, iat= 820, 827, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 54 LEU HN 54 LEU QB 4.04 (#peak 2046)
&rst
ixpk= 2046, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 824, 825,
&end
#
# 54 LEU HN 54 LEU QD1 4.89 (#peak 2031)
&rst
ixpk= 2031, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 829, 830, 831,
&end
#
# 54 LEU HN 54 LEU QD2 5.00 (#peak 2048)
&rst
ixpk= 2048, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 833, 834, 835,
&end
#
# 54 LEU HN 55 ASP HN 4.06 (#peak 2043)
&rst
ixpk= 2043, nxpk= 0, iat= 820, 839, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 54 LEU HN 56 THR HN 5.94 (#peak 2369)
&rst
ixpk= 2369, nxpk= 0, iat= 820, 851, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 54 LEU HN 56 THR QG2 5.52 (#peak 2690)
&rst
ixpk= 2690, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 857, 858, 859,
&end
#
# 54 LEU HA 54 LEU HG 4.17 (#peak 1983)
&rst
ixpk= 1983, nxpk= 0, iat= 822, 827, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 54 LEU HA 54 LEU QD1 4.35 (#peak 3153)
&rst
ixpk= 3153, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 829, 830, 831,
&end
#
# 54 LEU HA 54 LEU QD2 4.35 (#peak 1989)
&rst
ixpk= 1989, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 833, 834, 835,
&end
#
# 54 LEU HA 56 THR HN 6.05 (#peak 1667)
&rst
ixpk= 1667, nxpk= 0, iat= 822, 851, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 54 LEU HG 55 ASP HN 4.70 (#peak 1442)
&rst
ixpk= 1442, nxpk= 0, iat= 827, 839, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 54 LEU N 50 CYS O 3.3
&rst
ixpk= 1442, nxpk= 0, iat= 819, 764, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 54 LEU QB 54 LEU QD1 3.41 (#peak 3151)
&rst
ixpk= 3151, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 824, 825,
igr2= 829, 830, 831,
&end
#
# 54 LEU QB 54 LEU QD2 3.16 (#peak 3629)
&rst
ixpk= 3629, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 824, 825,
igr2= 833, 834, 835,
&end
#
# 54 LEU QB 55 ASP HN 4.32 (#peak 1452)
&rst
ixpk= 1452, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 824, 825,
&end
#
# 54 LEU QB 56 THR HN 5.32 (#peak 2665)
&rst
ixpk= 2665, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 824, 825,
&end
#
# 54 LEU QB 56 THR HA 5.96 (#peak 5311)
&rst
ixpk= 5311, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 824, 825,
&end
#
# 54 LEU QD1 55 ASP HN 5.51 (#peak 1441)
&rst
ixpk= 1441, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 829, 830, 831,
&end
#
# 54 LEU QD1 56 THR HN 5.89 (#peak 2777)
&rst
ixpk= 2777, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 829, 830, 831,
&end
#
# 54 LEU QD1 56 THR HB 6.15 (#peak 6165)
&rst
ixpk= 6165, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 829, 830, 831,
&end
#
# 54 LEU QD1 56 THR QG2 4.28 (#peak 5904)
&rst
ixpk= 5904, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 829, 830, 831,
igr2= 857, 858, 859,
&end
#
# 54 LEU QD2 55 ASP HN 5.72 (#peak 2776)
&rst
ixpk= 2776, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 833, 834, 835,
&end
#
# 54 LEU QD2 56 THR HN 5.01 (#peak 2688)
&rst
ixpk= 2688, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 833, 834, 835,
&end
#
# 54 LEU QD2 56 THR HB 5.91 (#peak 5610)
&rst
ixpk= 5610, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 833, 834, 835,
&end
#
# 54 LEU QD2 56 THR QG2 4.20 (#peak 6228)
&rst
ixpk= 6228, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 833, 834, 835,
igr2= 857, 858, 859,
&end
#
# 55 ASP HN 55 ASP HA 2.90 (#peak 1451)
&rst
ixpk= 1451, nxpk= 0, iat= 839, 841, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 55 ASP HN 56 THR HN 4.14 (#peak 1450)
&rst
ixpk= 1450, nxpk= 0, iat= 839, 851, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 55 ASP HB2 56 THR HN 5.78 (#peak 1675)
&rst
ixpk= 1675, nxpk= 0, iat= 843, 851, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 55 ASP HB3 56 THR HN 6.15 (#peak 1670)
&rst
ixpk= 1670, nxpk= 0, iat= 844, 851, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 56 THR HN 56 THR QG2 6.10 (#peak 1665)
&rst
ixpk= 1665, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 857, 858, 859,
&end
#
# 56 THR HN 57 GLU HN 5.75 (#peak 1663)
&rst
ixpk= 1663, nxpk= 0, iat= 851, 865, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 56 THR HA 57 GLU QB 5.93 (#peak 5607)
&rst
ixpk= 5607, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2= 869, 870,
&end
#
# 56 THR HA 58 THR HN 6.15 (#peak 1400)
&rst
ixpk= 1400, nxpk= 0, iat= 853, 880, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 56 THR HA 58 THR QG2 4.28 (#peak 6167)
&rst
ixpk= 6167, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 886, 887, 888,
&end
#
# 56 THR HB 57 GLU HN 5.78 (#peak 530)
&rst
ixpk= 530, nxpk= 0, iat= 855, 865, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 56 THR HB 58 THR HN 6.15 (#peak 2472)
&rst
ixpk= 2472, nxpk= 0, iat= 855, 880, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 56 THR QG2 57 GLU HN 5.63 (#peak 524)
&rst
ixpk= 524, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 857, 858, 859,
&end
#
# 56 THR QG2 57 GLU HA 5.98 (#peak 5314)
&rst
ixpk= 5314, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 857, 858, 859,
&end
#
# 56 THR QG2 57 GLU HG2 6.03 (#peak 5466)
&rst
ixpk= 5466, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 857, 858, 859,
&end
#
# 56 THR QG2 58 THR HN 5.76 (#peak 2471)
&rst
ixpk= 2471, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 857, 858, 859,
&end
#
# 56 THR QG2 58 THR QG2 4.84 (#peak 6445)
&rst
ixpk= 6445, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 857, 858, 859,
igr2= 886, 887, 888,
&end
#
# 57 GLU HN 57 GLU HG2 5.78 (#peak 525)
&rst
ixpk= 525, nxpk= 0, iat= 865, 872, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 57 GLU HN 57 GLU HG3 5.77 (#peak 527)
&rst
ixpk= 527, nxpk= 0, iat= 865, 873, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 57 GLU HN 58 THR HN 5.72 (#peak 528)
&rst
ixpk= 528, nxpk= 0, iat= 865, 880, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 57 GLU HG2 58 THR HN 4.20 (#peak 1391)
&rst
ixpk= 1391, nxpk= 0, iat= 872, 880, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 57 GLU HG3 58 THR HN 4.20 (#peak 1394)
&rst
ixpk= 1394, nxpk= 0, iat= 873, 880, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 57 GLU HG3 58 THR QG2 5.37 (#peak 5606)
&rst
ixpk= 5606, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 886, 887, 888,
&end
#
# 57 GLU QB 58 THR HN 5.96 (#peak 1399)
&rst
ixpk= 1399, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 869, 870,
&end
#
# 57 GLU QB 58 THR QG2 6.15 (#peak 5605)
&rst
ixpk= 5605, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr1= 869, 870,
igr2= 886, 887, 888,
&end
#
# 58 THR HN 58 THR QG2 6.11 (#peak 1392)
&rst
ixpk= 1392, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr2= 886, 887, 888,
&end
#
# 58 THR HN 59 LEU HN 5.64 (#peak 1999)
&rst
ixpk= 1999, nxpk= 0, iat= 880, 894, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 58 THR HN 59 LEU QD1 5.47 (#peak 2691)
&rst
ixpk= 2691, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 903, 904, 905,
&end
#
# 58 THR HA 58 THR QG2 3.38 (#peak 2789)
&rst
ixpk= 2789, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 886, 887, 888,
&end
#
# 58 THR HA 59 LEU HG 5.86 (#peak 6101)
&rst
ixpk= 6101, nxpk= 0, iat= 882, 901, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 58 THR HA 59 LEU QD1 6.15 (#peak 5327)
&rst
ixpk= 5327, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 903, 904, 905,
&end
#
# 58 THR HB 59 LEU HN 6.15 (#peak 1995)
&rst
ixpk= 1995, nxpk= 0, iat= 884, 894, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 58 THR QG2 59 LEU HA 5.87 (#peak 5534)
&rst
ixpk= 5534, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 886, 887, 888,
&end
#
# 59 LEU HN 59 LEU HG 6.15 (#peak 2003)
&rst
ixpk= 2003, nxpk= 0, iat= 894, 901, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 59 LEU HN 59 LEU QD1 5.83 (#peak 2001)
&rst
ixpk= 2001, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 903, 904, 905,
&end
#
# 59 LEU HN 59 LEU QD2 6.00 (#peak 1992)
&rst
ixpk= 1992, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 907, 908, 909,
&end
#
# 59 LEU HN 60 GLY HN 5.15 (#peak 1996)
&rst
ixpk= 1996, nxpk= 0, iat= 894, 913, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 59 LEU HA 59 LEU QD1 4.06 (#peak 4298)
&rst
ixpk= 4298, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 903, 904, 905,
&end
#
# 59 LEU HA 59 LEU QD2 4.01 (#peak 4299)
&rst
ixpk= 4299, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 907, 908, 909,
&end
#
# 59 LEU HB2 59 LEU QD2 3.63 (#peak 933)
&rst
ixpk= 933, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 907, 908, 909,
&end
#
# 59 LEU HB2 60 GLY HN 5.92 (#peak 853)
&rst
ixpk= 853, nxpk= 0, iat= 898, 913, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 59 LEU HB3 59 LEU QD2 3.73 (#peak 935)
&rst
ixpk= 935, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 907, 908, 909,
&end
#
# 59 LEU HB3 60 GLY HN 6.15 (#peak 852)
&rst
ixpk= 852, nxpk= 0, iat= 899, 913, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 59 LEU HG 60 GLY HN 6.00 (#peak 860)
&rst
ixpk= 860, nxpk= 0, iat= 901, 913, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 59 LEU QD1 60 GLY HN 6.15 (#peak 858)
&rst
ixpk= 858, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 903, 904, 905,
&end
#
# 59 LEU QD2 60 GLY HN 4.27 (#peak 2672)
&rst
ixpk= 2672, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 907, 908, 909,
&end
#
# 60 GLY HN 61 THR HN 4.87 (#peak 850)
&rst
ixpk= 850, nxpk= 0, iat= 913, 920, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 61 THR HN 61 THR QG2 5.83 (#peak 164)
&rst
ixpk= 164, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 926, 927, 928,
&end
#
# 61 THR HN 62 CYS HN 5.94 (#peak 162)
&rst
ixpk= 162, nxpk= 0, iat= 920, 934, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 61 THR HN 78 THR HN 6.15 (#peak 2279)
&rst
ixpk= 2279, nxpk= 0, iat= 920,1163, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 61 THR HN 79 ASN HB2 5.41 (#peak 2775)
&rst
ixpk= 2775, nxpk= 0, iat= 920,1181, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 61 THR HN 79 ASN HB3 6.12 (#peak 2360)
&rst
ixpk= 2360, nxpk= 0, iat= 920,1182, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end
#
# 61 THR HA 61 THR QG2 3.93 (#peak 3216)
&rst
ixpk= 3216, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 926, 927, 928,
&end
#
# 61 THR HA 62 CYS HN 3.51 (#peak 103)
&rst
ixpk= 103, nxpk= 0, iat= 922, 934, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 61 THR HA 78 THR HN 5.85 (#peak 2350)
&rst
ixpk= 2350, nxpk= 0, iat= 922,1163, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 61 THR HA 78 THR QG2 5.46 (#peak 6325)
&rst
ixpk= 6325, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1169,1170,1171,
&end
#
# 61 THR HB 62 CYS HN 4.36 (#peak 100)
&rst
ixpk= 100, nxpk= 0, iat= 924, 934, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 61 THR HB 78 THR HN 4.74 (#peak 2536)
&rst
ixpk= 2536, nxpk= 0, iat= 924,1163, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 61 THR HB 78 THR QG2 4.34 (#peak 6153)
&rst
ixpk= 6153, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1169,1170,1171,
&end
#
# 61 THR HB 79 ASN HB2 5.58 (#peak 4852)
&rst
ixpk= 4852, nxpk= 0, iat= 924,1181, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 61 THR HB 79 ASN HB3 4.96 (#peak 4853)
&rst
ixpk= 4853, nxpk= 0, iat= 924,1182, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 62 CYS HN 62 CYS HB2 4.03 (#peak 104)
&rst
ixpk= 104, nxpk= 0, iat= 934, 938, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 62 CYS HN 62 CYS HB3 3.97 (#peak 102)
&rst
ixpk= 102, nxpk= 0, iat= 934, 939, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 62 CYS HN 63 ILE HN 4.87 (#peak 82)
&rst
ixpk= 82, nxpk= 0, iat= 934, 945, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 62 CYS HN 78 THR HN 4.13 (#peak 2606)
&rst
ixpk= 2606, nxpk= 0, iat= 934,1163, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 62 CYS HA 77 VAL HA 6.15 (#peak 5987)
&rst
ixpk= 5987, nxpk= 0, iat= 936,1149, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 62 CYS HB2 63 ILE HN 5.10 (#peak 92)
&rst
ixpk= 92, nxpk= 0, iat= 938, 945, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 62 CYS HB2 78 THR HN 5.61 (#peak 2366)
&rst
ixpk= 2366, nxpk= 0, iat= 938,1163, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 62 CYS HB3 63 ILE HN 5.17 (#peak 87)
&rst
ixpk= 87, nxpk= 0, iat= 939, 945, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 62 CYS HB3 78 THR QG2 4.42 (#peak 6409)
&rst
ixpk= 6409, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1169,1170,1171,
&end
#
# 63 ILE HN 63 ILE HG12 6.15 (#peak 93)
&rst
ixpk= 93, nxpk= 0, iat= 945, 955, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 63 ILE HN 63 ILE HG13 5.28 (#peak 84)
&rst
ixpk= 84, nxpk= 0, iat= 945, 956, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 63 ILE HN 63 ILE QD1 5.29 (#peak 85)
&rst
ixpk= 85, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 958, 959, 960,
&end
#
# 63 ILE HN 63 ILE QG2 4.27 (#peak 88)
&rst
ixpk= 88, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 951, 952, 953,
&end
#
# 63 ILE HN 64 ASP HN 6.15 (#peak 1800)
&rst
ixpk= 1800, nxpk= 0, iat= 945, 964, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 63 ILE HN 76 LYS HN 5.99 (#peak 2610)
&rst
ixpk= 2610, nxpk= 0, iat= 945,1125, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 63 ILE HN 77 VAL HA 5.99 (#peak 89)
&rst
ixpk= 89, nxpk= 0, iat= 945,1149, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 63 ILE HA 63 ILE QD1 4.52 (#peak 3722)
&rst
ixpk= 3722, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 958, 959, 960,
&end
#
# 63 ILE HA 63 ILE QG2 3.85 (#peak 3723)
&rst
ixpk= 3723, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 951, 952, 953,
&end
#
# 63 ILE HB 63 ILE QD1 3.76 (#peak 442)
&rst
ixpk= 442, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 958, 959, 960,
&end
#
# 63 ILE HG12 64 ASP HN 5.97 (#peak 1811)
&rst
ixpk= 1811, nxpk= 0, iat= 955, 964, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 63 ILE HG13 64 ASP HN 6.15 (#peak 1803)
&rst
ixpk= 1803, nxpk= 0, iat= 956, 964, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 63 ILE QD1 64 ASP HN 5.95 (#peak 1804)
&rst
ixpk= 1804, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr1= 958, 959, 960,
&end
#
# 63 ILE QD1 65 PHE HA 5.21 (#peak 6290)
&rst
ixpk= 6290, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 958, 959, 960,
&end
#
# 63 ILE QD1 77 VAL HB 5.41 (#peak 6337)
&rst
ixpk= 6337, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 958, 959, 960,
&end
#
# 63 ILE QD1 77 VAL QG2 6.15 (#peak 4845)
&rst
ixpk= 4845, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
igr1= 958, 959, 960,
igr2=1157,1158,1159,
&end
#
# 63 ILE QG2 63 ILE HG12 3.68 (#peak 3549)
&rst
ixpk= 3549, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 951, 952, 953,
&end
#
# 63 ILE QG2 63 ILE HG13 4.14 (#peak 1708)
&rst
ixpk= 1708, nxpk= 0, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 951, 952, 953,
&end
#
# 63 ILE QG2 63 ILE QD1 3.73 (#peak 436)
&rst
ixpk= 436, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 951, 952, 953,
igr2= 958, 959, 960,
&end
#
# 63 ILE QG2 64 ASP HN 5.90 (#peak 1806)
&rst
ixpk= 1806, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 951, 952, 953,
&end
#
# 63 ILE QG2 65 PHE HN 5.88 (#peak 2638)
&rst
ixpk= 2638, nxpk= 0, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 951, 952, 953,
&end
#
# 63 ILE QG2 76 LYS HN 6.15 (#peak 2713)
&rst
ixpk= 2713, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 951, 952, 953,
&end
#
# 64 ASP HN 65 PHE HN 5.89 (#peak 1809)
&rst
ixpk= 1809, nxpk= 0, iat= 964, 976, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 64 ASP HN 75 CYS HA 6.15 (#peak 2423)
&rst
ixpk= 2423, nxpk= 0, iat= 964,1116, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 64 ASP HN 76 LYS HN 6.15 (#peak 2351)
&rst
ixpk= 2351, nxpk= 0, iat= 964,1125, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 64 ASP HN 76 LYS HB2 4.01 (#peak 2343)
&rst
ixpk= 2343, nxpk= 0, iat= 964,1129, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 64 ASP HN 76 LYS O 2.4
&rst
ixpk= 2343, nxpk= 0, iat= 964,1145, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 64 ASP HB2 76 LYS HB3 5.16 (#peak 6272)
&rst
ixpk= 6272, nxpk= 0, iat= 968,1130, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 64 ASP HB2 76 LYS HG2 4.89 (#peak 4965)
&rst
ixpk= 4965, nxpk= 0, iat= 968,1132, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 64 ASP HB3 65 PHE HN 5.30 (#peak 2654)
&rst
ixpk= 2654, nxpk= 0, iat= 969, 976, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 64 ASP HB3 76 LYS HN 6.11 (#peak 2344)
&rst
ixpk= 2344, nxpk= 0, iat= 969,1125, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 64 ASP HB3 76 LYS HB2 4.55 (#peak 6273)
&rst
ixpk= 6273, nxpk= 0, iat= 969,1129, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 64 ASP HB3 76 LYS HD3 5.35 (#peak 5744)
&rst
ixpk= 5744, nxpk= 0, iat= 969,1136, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 64 ASP HB3 76 LYS HG2 5.13 (#peak 6274)
&rst
ixpk= 6274, nxpk= 0, iat= 969,1132, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 64 ASP N 76 LYS O 3.3
&rst
ixpk= 6274, nxpk= 0, iat= 963,1145, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 65 PHE HN 65 PHE HB3 3.62 (#peak 1782)
&rst
ixpk= 1782, nxpk= 0, iat= 976, 981, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 65 PHE HN 65 PHE QD 5.91 (#peak 1789)
&rst
ixpk= 1789, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 984, 992,
&end
#
# 65 PHE HN 66 GLN HN 6.15 (#peak 1785)
&rst
ixpk= 1785, nxpk= 0, iat= 976, 996, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 65 PHE HN 75 CYS HB2 6.15 (#peak 2398)
&rst
ixpk= 2398, nxpk= 0, iat= 976,1118, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 65 PHE HN 75 CYS HB3 6.15 (#peak 2399)
&rst
ixpk= 2399, nxpk= 0, iat= 976,1119, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 65 PHE HA 65 PHE QD 5.10 (#peak 223)
&rst
ixpk= 223, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 984, 992,
&end
#
# 65 PHE HA 66 GLN HG2 5.93 (#peak 6291)
&rst
ixpk= 6291, nxpk= 0, iat= 978,1003, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 65 PHE HA 75 CYS HN 6.15 (#peak 2400)
&rst
ixpk= 2400, nxpk= 0, iat= 978,1114, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 65 PHE HA 75 CYS HA 4.68 (#peak 226)
&rst
ixpk= 226, nxpk= 0, iat= 978,1116, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 65 PHE HA 75 CYS HB2 5.94 (#peak 4971)
&rst
ixpk= 4971, nxpk= 0, iat= 978,1118, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 65 PHE HA 75 CYS HB3 5.81 (#peak 4969)
&rst
ixpk= 4969, nxpk= 0, iat= 978,1119, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 65 PHE HA 76 LYS HN 6.06 (#peak 1773)
&rst
ixpk= 1773, nxpk= 0, iat= 978,1125, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 65 PHE HB2 66 GLN HN 5.16 (#peak 2653)
&rst
ixpk= 2653, nxpk= 0, iat= 980, 996, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 65 PHE HB2 75 CYS HB2 6.15 (#peak 4831)
&rst
ixpk= 4831, nxpk= 0, iat= 980,1118, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 65 PHE HB2 75 CYS HB3 4.22 (#peak 4833)
&rst
ixpk= 4833, nxpk= 0, iat= 980,1119, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 65 PHE HB3 75 CYS HB2 6.15 (#peak 4832)
&rst
ixpk= 4832, nxpk= 0, iat= 981,1118, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 65 PHE QD 66 GLN HN 5.06 (#peak 2629)
&rst
ixpk= 2629, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 984, 992,
&end
#
# 65 PHE QD 67 VAL HB 4.83 (#peak 5988)
&rst
ixpk= 5988, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 984, 992,
&end
#
# 65 PHE QD 67 VAL QG1 5.52 (#peak 6053)
&rst
ixpk= 6053, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
igr1= 984, 992,
igr2=1019,1020,1021,
&end
#
# 65 PHE QD 67 VAL QG2 3.54 (#peak 6516)
&rst
ixpk= 6516, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 984, 992,
igr2=1023,1024,1025,
&end
#
# 65 PHE QD 73 ILE HB 5.75 (#peak 6513)
&rst
ixpk= 6513, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 984, 992,
&end
#
# 65 PHE QD 73 ILE QG2 3.99 (#peak 6324)
&rst
ixpk= 6324, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 984, 992,
igr2=1090,1091,1092,
&end
#
# 65 PHE QD 75 CYS HA 6.15 (#peak 6318)
&rst
ixpk= 6318, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 984, 992,
&end
#
# 65 PHE QD 75 CYS HB2 5.91 (#peak 5518)
&rst
ixpk= 5518, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 984, 992,
&end
#
# 65 PHE QD 75 CYS HB3 6.15 (#peak 4968)
&rst
ixpk= 4968, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 984, 992,
&end
#
# 65 PHE QD 76 LYS HN 6.15 (#peak 2717)
&rst
ixpk= 2717, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 984, 992,
&end
#
# 65 PHE QE 67 VAL HB 5.41 (#peak 6511)
&rst
ixpk= 6511, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 986, 990,
&end
#
# 65 PHE QE 67 VAL QG1 4.79 (#peak 6512)
&rst
ixpk= 6512, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 986, 990,
igr2=1019,1020,1021,
&end
#
# 65 PHE QE 67 VAL QG2 3.71 (#peak 6517)
&rst
ixpk= 6517, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 986, 990,
igr2=1023,1024,1025,
&end
#
# 65 PHE QE 73 ILE HB 5.27 (#peak 6514)
&rst
ixpk= 6514, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 986, 990,
&end
#
# 65 PHE QE 73 ILE QG2 4.04 (#peak 6515)
&rst
ixpk= 6515, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 986, 990,
igr2=1090,1091,1092,
&end
#
# 65 PHE QE 75 CYS HB2 5.10 (#peak 6518)
&rst
ixpk= 6518, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 986, 990,
&end
#
# 66 GLN HN 66 GLN HG2 5.25 (#peak 1156)
&rst
ixpk= 1156, nxpk= 0, iat= 996,1003, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 66 GLN HN 66 GLN HG3 4.84 (#peak 1151)
&rst
ixpk= 1151, nxpk= 0, iat= 996,1004, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 66 GLN HN 67 VAL HN 4.71 (#peak 1148)
&rst
ixpk= 1148, nxpk= 0, iat= 996,1013, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 66 GLN HN 73 ILE QD1 5.84 (#peak 2774)
&rst
ixpk= 2774, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2=1097,1098,1099,
&end
#
# 66 GLN HN 73 ILE QG2 5.36 (#peak 2773)
&rst
ixpk= 2773, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1090,1091,1092,
&end
#
# 66 GLN HN 74 SER HN 5.47 (#peak 2276)
&rst
ixpk= 2276, nxpk= 0, iat= 996,1103, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 66 GLN HN 74 SER O 2.4
&rst
ixpk= 2276, nxpk= 0, iat= 996,1112, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 66 GLN HN 75 CYS HA 4.63 (#peak 1149)
&rst
ixpk= 1149, nxpk= 0, iat= 996,1116, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 66 GLN HN 75 CYS HB2 6.15 (#peak 2424)
&rst
ixpk= 2424, nxpk= 0, iat= 996,1118, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 66 GLN HN 75 CYS HB3 5.54 (#peak 2425)
&rst
ixpk= 2425, nxpk= 0, iat= 996,1119, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 66 GLN HA 66 GLN HE21 5.40 (#peak 2230)
&rst
ixpk= 2230, nxpk= 0, iat= 998,1008, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 66 GLN HA 66 GLN HE22 5.56 (#peak 3718)
&rst
ixpk= 3718, nxpk= 0, iat= 998,1009, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 66 GLN HA 66 GLN HG2 4.01 (#peak 2480)
&rst
ixpk= 2480, nxpk= 0, iat= 998,1003, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 66 GLN HA 66 GLN HG3 4.20 (#peak 15)
&rst
ixpk= 15, nxpk= 0, iat= 998,1004, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 66 GLN HB2 66 GLN HE21 6.09 (#peak 304)
&rst
ixpk= 304, nxpk= 0, iat=1000,1008, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 66 GLN HB2 67 VAL HN 5.72 (#peak 395)
&rst
ixpk= 395, nxpk= 0, iat=1000,1013, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 66 GLN HB2 74 SER HN 5.79 (#peak 2368)
&rst
ixpk= 2368, nxpk= 0, iat=1000,1103, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 66 GLN HB2 74 SER HB2 5.53 (#peak 6271)
&rst
ixpk= 6271, nxpk= 0, iat=1000,1107, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 66 GLN HB3 74 SER HN 6.15 (#peak 2367)
&rst
ixpk= 2367, nxpk= 0, iat=1001,1103, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 66 GLN HB3 74 SER HB2 5.67 (#peak 6270)
&rst
ixpk= 6270, nxpk= 0, iat=1001,1107, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 66 GLN HB3 74 SER HB3 5.92 (#peak 5746)
&rst
ixpk= 5746, nxpk= 0, iat=1001,1108, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 66 GLN HG2 74 SER HB2 6.07 (#peak 6035)
&rst
ixpk= 6035, nxpk= 0, iat=1003,1107, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 66 GLN HG3 74 SER HB2 5.63 (#peak 6282)
&rst
ixpk= 6282, nxpk= 0, iat=1004,1107, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 66 GLN N 74 SER O 3.3
&rst
ixpk= 6282, nxpk= 0, iat= 995,1112, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 67 VAL HN 67 VAL QQG 6.15 (#peak 400)
&rst
ixpk= 400, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr2=1019,1020,1021,1023,1024,1025,
&end
#
# 67 VAL HA 67 VAL QG1 4.01 (#peak 3535)
&rst
ixpk= 3535, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1019,1020,1021,
&end
#
# 67 VAL HA 73 ILE HA 4.49 (#peak 6363)
&rst
ixpk= 6363, nxpk= 0, iat=1015,1086, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 67 VAL HA 73 ILE QD1 4.74 (#peak 6526)
&rst
ixpk= 6526, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1097,1098,1099,
&end
#
# 67 VAL HA 73 ILE QG2 4.59 (#peak 6070)
&rst
ixpk= 6070, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1090,1091,1092,
&end
#
# 67 VAL HB 68 VAL HN 6.15 (#peak 809)
&rst
ixpk= 809, nxpk= 0, iat=1017,1029, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 67 VAL HB 73 ILE QG2 5.57 (#peak 6119)
&rst
ixpk= 6119, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2=1090,1091,1092,
&end
#
# 67 VAL QG1 69 PRO HA 5.12 (#peak 6364)
&rst
ixpk= 6364, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1019,1020,1021,
&end
#
# 67 VAL QG1 69 PRO HD2 4.98 (#peak 6090)
&rst
ixpk= 6090, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1019,1020,1021,
&end
#
# 67 VAL QG1 69 PRO HD3 4.45 (#peak 6367)
&rst
ixpk= 6367, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1019,1020,1021,
&end
#
# 67 VAL QG1 69 PRO HG2 5.07 (#peak 6356)
&rst
ixpk= 6356, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1019,1020,1021,
&end
#
# 67 VAL QG1 69 PRO HG3 4.25 (#peak 6354)
&rst
ixpk= 6354, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1019,1020,1021,
&end
#
# 67 VAL QG1 73 ILE HA 6.14 (#peak 5669)
&rst
ixpk= 5669, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1=1019,1020,1021,
&end
#
# 67 VAL QG1 73 ILE QG1 5.00 (#peak 6357)
&rst
ixpk= 6357, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1019,1020,1021,
igr2=1094,1095,
&end
#
# 67 VAL QG2 73 ILE HA 4.98 (#peak 6525)
&rst
ixpk= 6525, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1023,1024,1025,
&end
#
# 67 VAL QQG 68 VAL HN 5.72 (#peak 808)
&rst
ixpk= 808, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr1=1019,1020,1021,1023,1024,1025,
&end
#
# 68 VAL HN 68 VAL QG2 4.14 (#peak 804)
&rst
ixpk= 804, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1039,1040,1041,
&end
#
# 68 VAL HN 72 GLY HN 5.96 (#peak 1000)
&rst
ixpk= 1000, nxpk= 0, iat=1029,1077, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 68 VAL HN 73 ILE HA 5.70 (#peak 2355)
&rst
ixpk= 2355, nxpk= 0, iat=1029,1086, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 68 VAL HA 69 PRO HD2 3.60 (#peak 6088)
&rst
ixpk= 6088, nxpk= 0, iat=1031,1046, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 68 VAL HA 69 PRO HD3 3.38 (#peak 6087)
&rst
ixpk= 6087, nxpk= 0, iat=1031,1047, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 68 VAL HA 69 PRO HG2 4.98 (#peak 6086)
&rst
ixpk= 6086, nxpk= 0, iat=1031,1049, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 68 VAL HB 69 PRO HD2 5.96 (#peak 4753)
&rst
ixpk= 4753, nxpk= 0, iat=1033,1046, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 68 VAL HB 69 PRO HD3 5.42 (#peak 5354)
&rst
ixpk= 5354, nxpk= 0, iat=1033,1047, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 68 VAL QG1 71 CYS HN 4.24 (#peak 2767)
&rst
ixpk= 2767, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1035,1036,1037,
&end
#
# 68 VAL QG1 72 GLY HN 4.02 (#peak 2599)
&rst
ixpk= 2599, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1035,1036,1037,
&end
#
# 68 VAL QG2 70 GLY HN 6.11 (#peak 2640)
&rst
ixpk= 2640, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=1039,1040,1041,
&end
#
# 68 VAL QG2 71 CYS HN 6.15 (#peak 2235)
&rst
ixpk= 2235, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1039,1040,1041,
&end
#
# 68 VAL QG2 72 GLY HN 5.67 (#peak 2356)
&rst
ixpk= 2356, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1039,1040,1041,
&end
#
# 68 VAL QG2 72 GLY HA3 6.15 (#peak 6313)
&rst
ixpk= 6313, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1039,1040,1041,
&end
#
# 69 PRO HA 70 GLY QA 4.99 (#peak 4755)
&rst
ixpk= 4755, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1061,1062,
&end
#
# 69 PRO HA 72 GLY HN 5.91 (#peak 2725)
&rst
ixpk= 2725, nxpk= 0, iat=1055,1077, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 69 PRO HB2 71 CYS HN 6.15 (#peak 2234)
&rst
ixpk= 2234, nxpk= 0, iat=1052,1066, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 70 GLY QA 71 CYS HA 4.95 (#peak 4757)
&rst
ixpk= 4757, nxpk= 0, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1061,1062,
&end
#
# 71 CYS HN 72 GLY HN 5.36 (#peak 999)
&rst
ixpk= 999, nxpk= 0, iat=1066,1077, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 71 CYS HB2 72 GLY HN 6.10 (#peak 1006)
&rst
ixpk= 1006, nxpk= 0, iat=1070,1077, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 71 CYS HB3 72 GLY HN 5.75 (#peak 1001)
&rst
ixpk= 1001, nxpk= 0, iat=1071,1077, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 72 GLY HA2 137 GLY HA3 4.20 (#peak 6267)
&rst
ixpk= 6267, nxpk= 0, iat=1079,2069, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 72 GLY HA2 138 ASN HN 4.78 (#peak 3942)
&rst
ixpk= 3942, nxpk= 0, iat=1079,2073, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 72 GLY HA3 137 GLY HA3 4.55 (#peak 6263)
&rst
ixpk= 6263, nxpk= 0, iat=1080,2069, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 72 GLY HA3 138 ASN HN 4.78 (#peak 3246)
&rst
ixpk= 3246, nxpk= 0, iat=1080,2073, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 72 GLY HA3 73 ILE QD1 5.66 (#peak 6247)
&rst
ixpk= 6247, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2=1097,1098,1099,
&end
#
# 72 GLY HA3 73 ILE QG2 5.88 (#peak 6243)
&rst
ixpk= 6243, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2=1090,1091,1092,
&end
#
# 73 ILE HN 136 ILE HN 4.00 (#peak 2526)
&rst
ixpk= 2526, nxpk= 0, iat=1084,2047, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 73 ILE HA 73 ILE QD1 3.89 (#peak 6362)
&rst
ixpk= 6362, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1097,1098,1099,
&end
#
# 73 ILE HA 73 ILE QG2 4.12 (#peak 6069)
&rst
ixpk= 6069, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1090,1091,1092,
&end
#
# 73 ILE HA 74 SER HN 3.02 (#peak 2354)
&rst
ixpk= 2354, nxpk= 0, iat=1086,1103, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 73 ILE HA 74 SER HA 5.64 (#peak 5485)
&rst
ixpk= 5485, nxpk= 0, iat=1086,1105, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 73 ILE HB 136 ILE HA 6.11 (#peak 6120)
&rst
ixpk= 6120, nxpk= 0, iat=1088,2049, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 73 ILE HB 136 ILE QG2 4.94 (#peak 4675)
&rst
ixpk= 4675, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2053,2054,2055,
&end
#
# 73 ILE QD1 137 GLY HA2 5.59 (#peak 6248)
&rst
ixpk= 6248, nxpk= 0, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=1097,1098,1099,
&end
#
# 73 ILE QG2 136 ILE QD1 5.58 (#peak 6122)
&rst
ixpk= 6122, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr1=1090,1091,1092,
igr2=2060,2061,2062,
&end
#
# 73 ILE QG2 73 ILE QD1 6.15 (#peak 6067)
&rst
ixpk= 6067, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
igr1=1090,1091,1092,
igr2=1097,1098,1099,
&end
#
# 74 SER HN 75 CYS HN 5.96 (#peak 959)
&rst
ixpk= 959, nxpk= 0, iat=1103,1114, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 74 SER HA 135 LEU HA 5.26 (#peak 195)
&rst
ixpk= 195, nxpk= 0, iat=1105,2030, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 74 SER HA 135 LEU HB3 5.43 (#peak 4511)
&rst
ixpk= 4511, nxpk= 0, iat=1105,2033, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 74 SER HA 135 LEU HG 4.90 (#peak 4510)
&rst
ixpk= 4510, nxpk= 0, iat=1105,2035, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 74 SER HA 135 LEU QD1 4.73 (#peak 4512)
&rst
ixpk= 4512, nxpk= 0, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2037,2038,2039,
&end
#
# 74 SER HA 141 TRP HH2 4.93 (#peak 9222)
&rst
ixpk= 9222, nxpk= 0, iat=1105,2141, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 74 SER HB2 135 LEU HB2 6.15 (#peak 4873)
&rst
ixpk= 4873, nxpk= 0, iat=1107,2032, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 74 SER HB2 135 LEU HB3 5.43 (#peak 5526)
&rst
ixpk= 5526, nxpk= 0, iat=1107,2033, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 74 SER HB2 135 LEU HG 6.15 (#peak 4874)
&rst
ixpk= 4874, nxpk= 0, iat=1107,2035, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 74 SER HB2 135 LEU QD1 4.39 (#peak 4876)
&rst
ixpk= 4876, nxpk= 0, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=2037,2038,2039,
&end
#
# 74 SER HB2 135 LEU QD2 6.15 (#peak 4878)
&rst
ixpk= 4878, nxpk= 0, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2041,2042,2043,
&end
#
# 74 SER HB2 141 TRP HH2 3.96 (#peak 9210)
&rst
ixpk= 9210, nxpk= 0, iat=1107,2141, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 74 SER HB2 75 CYS HN 6.15 (#peak 960)
&rst
ixpk= 960, nxpk= 0, iat=1107,1114, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 74 SER HB3 135 LEU QD1 4.63 (#peak 4875)
&rst
ixpk= 4875, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=2037,2038,2039,
&end
#
# 74 SER HB3 141 TRP HH2 3.82 (#peak 9211)
&rst
ixpk= 9211, nxpk= 0, iat=1108,2141, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 74 SER HB3 141 TRP HZ2 5.86 (#peak 6534)
&rst
ixpk= 6534, nxpk= 0, iat=1108,2139, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 74 SER HB3 75 CYS HN 6.15 (#peak 958)
&rst
ixpk= 958, nxpk= 0, iat=1108,1114, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 75 CYS HN 133 LYS HG2 6.00 (#peak 2486)
&rst
ixpk= 2486, nxpk= 0, iat=1114,1997, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 75 CYS HN 134 VAL HN 5.78 (#peak 2248)
&rst
ixpk= 2248, nxpk= 0, iat=1114,2012, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 75 CYS HN 134 VAL HB 6.15 (#peak 2417)
&rst
ixpk= 2417, nxpk= 0, iat=1114,2016, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 75 CYS HN 134 VAL O 2.4
&rst
ixpk= 2417, nxpk= 0, iat=1114,2026, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 75 CYS HN 134 VAL QG1 6.15 (#peak 2416)
&rst
ixpk= 2416, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2018,2019,2020,
&end
#
# 75 CYS HN 134 VAL QG2 6.15 (#peak 2415)
&rst
ixpk= 2415, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2022,2023,2024,
&end
#
# 75 CYS HN 135 LEU HA 5.82 (#peak 952)
&rst
ixpk= 952, nxpk= 0, iat=1114,2030, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 75 CYS HN 135 LEU HB3 6.15 (#peak 2693)
&rst
ixpk= 2693, nxpk= 0, iat=1114,2033, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 75 CYS HN 76 LYS HN 5.79 (#peak 962)
&rst
ixpk= 962, nxpk= 0, iat=1114,1125, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 75 CYS HA 134 VAL HN 5.79 (#peak 2249)
&rst
ixpk= 2249, nxpk= 0, iat=1116,2012, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 75 CYS HB2 76 LYS HN 4.40 (#peak 1771)
&rst
ixpk= 1771, nxpk= 0, iat=1118,1125, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 75 CYS HB3 134 VAL QG2 5.92 (#peak 6157)
&rst
ixpk= 6157, nxpk= 0, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr2=2022,2023,2024,
&end
#
# 75 CYS HB3 76 LYS HN 6.15 (#peak 1765)
&rst
ixpk= 1765, nxpk= 0, iat=1119,1125, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 75 CYS N 134 VAL O 3.3
&rst
ixpk= 1765, nxpk= 0, iat=1113,2026, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 76 LYS HN 76 LYS HD2 6.15 (#peak 1770)
&rst
ixpk= 1770, nxpk= 0, iat=1125,1135, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 76 LYS HN 76 LYS HD3 5.97 (#peak 1764)
&rst
ixpk= 1764, nxpk= 0, iat=1125,1136, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 76 LYS HN 76 LYS HG2 6.09 (#peak 1760)
&rst
ixpk= 1760, nxpk= 0, iat=1125,1132, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 76 LYS HN 76 LYS HG3 5.95 (#peak 1759)
&rst
ixpk= 1759, nxpk= 0, iat=1125,1133, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 76 LYS HN 76 LYS QE 5.93 (#peak 1769)
&rst
ixpk= 1769, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2=1138,1139,
&end
#
# 76 LYS HA 133 LYS HA 4.98 (#peak 2335)
&rst
ixpk= 2335, nxpk= 0, iat=1127,1992, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 76 LYS HA 133 LYS HB2 6.15 (#peak 4891)
&rst
ixpk= 4891, nxpk= 0, iat=1127,1994, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 76 LYS HA 133 LYS HG3 6.15 (#peak 4889)
&rst
ixpk= 4889, nxpk= 0, iat=1127,1998, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 76 LYS HA 133 LYS QD 5.51 (#peak 6051)
&rst
ixpk= 6051, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=2000,2001,
&end
#
# 76 LYS HA 134 VAL HN 4.40 (#peak 425)
&rst
ixpk= 425, nxpk= 0, iat=1127,2012, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 76 LYS HA 134 VAL QG2 5.04 (#peak 6333)
&rst
ixpk= 6333, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=2022,2023,2024,
&end
#
# 76 LYS HA 76 LYS HD2 5.50 (#peak 3218)
&rst
ixpk= 3218, nxpk= 0, iat=1127,1135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 LYS HA 76 LYS HD3 5.07 (#peak 3222)
&rst
ixpk= 3222, nxpk= 0, iat=1127,1136, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 76 LYS HA 76 LYS QE 5.73 (#peak 3225)
&rst
ixpk= 3225, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1138,1139,
&end
#
# 76 LYS HA 77 VAL QG1 5.58 (#peak 6293)
&rst
ixpk= 6293, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2=1153,1154,1155,
&end
#
# 76 LYS HB2 76 LYS HD3 4.14 (#peak 2792)
&rst
ixpk= 2792, nxpk= 0, iat=1129,1136, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 76 LYS HB2 76 LYS QE 4.59 (#peak 3636)
&rst
ixpk= 3636, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1138,1139,
&end
#
# 76 LYS HB3 133 LYS HG2 5.48 (#peak 4910)
&rst
ixpk= 4910, nxpk= 0, iat=1130,1997, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 76 LYS HB3 76 LYS QE 4.63 (#peak 3643)
&rst
ixpk= 3643, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1138,1139,
&end
#
# 76 LYS HD2 133 LYS HA 6.15 (#peak 4518)
&rst
ixpk= 4518, nxpk= 0, iat=1135,1992, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 76 LYS HD2 133 LYS HB2 5.31 (#peak 6338)
&rst
ixpk= 6338, nxpk= 0, iat=1135,1994, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 76 LYS HD2 133 LYS HB3 5.62 (#peak 4791)
&rst
ixpk= 4791, nxpk= 0, iat=1135,1995, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 76 LYS HD2 133 LYS HG3 5.45 (#peak 4906)
&rst
ixpk= 4906, nxpk= 0, iat=1135,1998, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 76 LYS HD3 133 LYS HB2 5.65 (#peak 4897)
&rst
ixpk= 4897, nxpk= 0, iat=1136,1994, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 76 LYS HD3 133 LYS HG3 4.52 (#peak 4793)
&rst
ixpk= 4793, nxpk= 0, iat=1136,1998, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 76 LYS HD3 77 VAL HN 6.15 (#peak 1238)
&rst
ixpk= 1238, nxpk= 0, iat=1136,1147, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 76 LYS HG2 133 LYS HG3 6.15 (#peak 4894)
&rst
ixpk= 4894, nxpk= 0, iat=1132,1998, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 76 LYS HG2 76 LYS QE 3.89 (#peak 3644)
&rst
ixpk= 3644, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1138,1139,
&end
#
# 76 LYS HG2 77 VAL HN 5.79 (#peak 1235)
&rst
ixpk= 1235, nxpk= 0, iat=1132,1147, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 76 LYS HG3 133 LYS HA 6.15 (#peak 4520)
&rst
ixpk= 4520, nxpk= 0, iat=1133,1992, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 76 LYS HG3 133 LYS HG2 6.15 (#peak 4908)
&rst
ixpk= 4908, nxpk= 0, iat=1133,1997, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 76 LYS HG3 76 LYS QE 4.02 (#peak 3639)
&rst
ixpk= 3639, nxpk= 0, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=1138,1139,
&end
#
# 76 LYS HG3 77 VAL HN 6.15 (#peak 1234)
&rst
ixpk= 1234, nxpk= 0, iat=1133,1147, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 76 LYS QE 133 LYS HB2 6.15 (#peak 4903)
&rst
ixpk= 4903, nxpk= 0, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1138,1139,
&end
#
# 76 LYS QE 133 LYS HB3 4.79 (#peak 4902)
&rst
ixpk= 4902, nxpk= 0, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1138,1139,
&end
#
# 76 LYS QE 133 LYS HG2 5.74 (#peak 4904)
&rst
ixpk= 4904, nxpk= 0, iat= -1,1997, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1138,1139,
&end
#
# 76 LYS QE 133 LYS HG3 5.09 (#peak 6050)
&rst
ixpk= 6050, nxpk= 0, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1138,1139,
&end
#
# 76 LYS QE 133 LYS QD 4.50 (#peak 5823)
&rst
ixpk= 5823, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1138,1139,
igr2=2000,2001,
&end
#
# 77 VAL HN 132 TYR HB3 5.12 (#peak 2607)
&rst
ixpk= 2607, nxpk= 0, iat=1147,1974, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 77 VAL HN 132 TYR O 2.4
&rst
ixpk= 2607, nxpk= 0, iat=1147,1988, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 77 VAL HN 132 TYR QD 5.29 (#peak 2608)
&rst
ixpk= 2608, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1977,1986,
&end
#
# 77 VAL HN 77 VAL QG1 4.65 (#peak 1245)
&rst
ixpk= 1245, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1153,1154,1155,
&end
#
# 77 VAL HN 77 VAL QG2 5.77 (#peak 1239)
&rst
ixpk= 1239, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1157,1158,1159,
&end
#
# 77 VAL HN 78 THR HN 6.15 (#peak 2026)
&rst
ixpk= 2026, nxpk= 0, iat=1147,1163, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 77 VAL HB 132 TYR HN 6.15 (#peak 2412)
&rst
ixpk= 2412, nxpk= 0, iat=1151,1969, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 77 VAL HB 132 TYR HB3 5.77 (#peak 4886)
&rst
ixpk= 4886, nxpk= 0, iat=1151,1974, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 77 VAL HB 78 THR HN 4.89 (#peak 2029)
&rst
ixpk= 2029, nxpk= 0, iat=1151,1163, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 77 VAL N 132 TYR O 3.3
&rst
ixpk= 2029, nxpk= 0, iat=1146,1988, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 77 VAL QG1 132 TYR HN 6.15 (#peak 2411)
&rst
ixpk= 2411, nxpk= 0, iat= -1,1969, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1153,1154,1155,
&end
#
# 77 VAL QG1 132 TYR HB2 6.15 (#peak 4884)
&rst
ixpk= 4884, nxpk= 0, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1153,1154,1155,
&end
#
# 77 VAL QG1 132 TYR QD 6.08 (#peak 5986)
&rst
ixpk= 5986, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1=1153,1154,1155,
igr2=1977,1986,
&end
#
# 77 VAL QG2 132 TYR HN 6.15 (#peak 2410)
&rst
ixpk= 2410, nxpk= 0, iat= -1,1969, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1157,1158,1159,
&end
#
# 77 VAL QG2 132 TYR HB2 6.15 (#peak 4885)
&rst
ixpk= 4885, nxpk= 0, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1157,1158,1159,
&end
#
# 77 VAL QG2 132 TYR QD 5.92 (#peak 5985)
&rst
ixpk= 5985, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1=1157,1158,1159,
igr2=1977,1986,
&end
#
# 77 VAL QG2 78 THR HA 4.80 (#peak 6467)
&rst
ixpk= 6467, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1157,1158,1159,
&end
#
# 78 THR HN 62 CYS O 2.4
&rst
ixpk= 6467, nxpk= 0, iat=1163, 943, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 78 THR HN 78 THR QG2 3.02 (#peak 2023)
&rst
ixpk= 2023, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1169,1170,1171,
&end
#
# 78 THR HA 131 GLN HE22 5.91 (#peak 9196)
&rst
ixpk= 9196, nxpk= 0, iat=1165,1965, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 78 THR HA 132 TYR QD 5.72 (#peak 9197)
&rst
ixpk= 9197, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2=1977,1986,
&end
#
# 78 THR HA 78 THR QG2 4.24 (#peak 822)
&rst
ixpk= 822, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1169,1170,1171,
&end
#
# 78 THR HA 79 ASN HA 4.93 (#peak 4696)
&rst
ixpk= 4696, nxpk= 0, iat=1165,1179, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 78 THR HB 131 GLN HB3 6.08 (#peak 6150)
&rst
ixpk= 6150, nxpk= 0, iat=1167,1957, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 78 THR HB 131 GLN HG3 5.45 (#peak 6148)
&rst
ixpk= 6148, nxpk= 0, iat=1167,1960, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 78 THR HB 132 TYR HN 6.15 (#peak 2742)
&rst
ixpk= 2742, nxpk= 0, iat=1167,1969, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 78 THR HB 79 ASN HN 4.92 (#peak 1085)
&rst
ixpk= 1085, nxpk= 0, iat=1167,1177, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 78 THR N 62 CYS O 3.3
&rst
ixpk= 1085, nxpk= 0, iat=1162, 943, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 78 THR QG2 131 GLN HE21 6.15 (#peak 2552)
&rst
ixpk= 2552, nxpk= 0, iat= -1,1964, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1169,1170,1171,
&end
#
# 78 THR QG2 131 GLN HE22 5.46 (#peak 6154)
&rst
ixpk= 6154, nxpk= 0, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1169,1170,1171,
&end
#
# 78 THR QG2 131 GLN HG2 5.71 (#peak 6151)
&rst
ixpk= 6151, nxpk= 0, iat= -1,1959, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=1169,1170,1171,
&end
#
# 78 THR QG2 79 ASN HN 4.65 (#peak 1089)
&rst
ixpk= 1089, nxpk= 0, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1169,1170,1171,
&end
#
# 78 THR QG2 79 ASN HA 4.70 (#peak 4695)
&rst
ixpk= 4695, nxpk= 0, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1169,1170,1171,
&end
#
# 78 THR QG2 79 ASN HB2 5.30 (#peak 5632)
&rst
ixpk= 5632, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1169,1170,1171,
&end
#
# 78 THR QG2 79 ASN HB3 5.17 (#peak 4859)
&rst
ixpk= 4859, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1169,1170,1171,
&end
#
# 78 THR QG2 79 ASN HD21 6.15 (#peak 2549)
&rst
ixpk= 2549, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1169,1170,1171,
&end
#
# 78 THR QG2 79 ASN HD22 6.15 (#peak 2548)
&rst
ixpk= 2548, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1169,1170,1171,
&end
#
# 79 ASN HN 80 ILE HN 4.78 (#peak 1086)
&rst
ixpk= 1086, nxpk= 0, iat=1177,1191, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 79 ASN HA 79 ASN HD21 5.92 (#peak 2077)
&rst
ixpk= 2077, nxpk= 0, iat=1179,1186, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 79 ASN HA 79 ASN HD22 5.79 (#peak 741)
&rst
ixpk= 741, nxpk= 0, iat=1179,1187, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 79 ASN HA 80 ILE QG2 6.15 (#peak 5623)
&rst
ixpk= 5623, nxpk= 0, iat=1179, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1197,1198,1199,
&end
#
# 79 ASN HA 82 GLY HN 6.15 (#peak 2504)
&rst
ixpk= 2504, nxpk= 0, iat=1179,1225, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 79 ASN HA 83 LEU HN 6.15 (#peak 2505)
&rst
ixpk= 2505, nxpk= 0, iat=1179,1232, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 79 ASN HB2 79 ASN HD21 3.94 (#peak 2079)
&rst
ixpk= 2079, nxpk= 0, iat=1181,1186, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 79 ASN HB3 79 ASN HD21 3.87 (#peak 2074)
&rst
ixpk= 2074, nxpk= 0, iat=1182,1186, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 80 ILE HN 80 ILE HG12 6.15 (#peak 479)
&rst
ixpk= 479, nxpk= 0, iat=1191,1201, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 80 ILE HN 80 ILE HG13 6.05 (#peak 472)
&rst
ixpk= 472, nxpk= 0, iat=1191,1202, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 80 ILE HN 80 ILE QD1 5.80 (#peak 476)
&rst
ixpk= 476, nxpk= 0, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1204,1205,1206,
&end
#
# 80 ILE HN 80 ILE QG2 6.14 (#peak 473)
&rst
ixpk= 473, nxpk= 0, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr2=1197,1198,1199,
&end
#
# 80 ILE HN 81 GLU HN 6.15 (#peak 471)
&rst
ixpk= 471, nxpk= 0, iat=1191,1210, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 80 ILE HA 80 ILE QD1 4.49 (#peak 2147)
&rst
ixpk= 2147, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1204,1205,1206,
&end
#
# 80 ILE HB 80 ILE QD1 3.84 (#peak 2151)
&rst
ixpk= 2151, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1204,1205,1206,
&end
#
# 80 ILE HB 81 GLU HN 4.82 (#peak 65)
&rst
ixpk= 65, nxpk= 0, iat=1195,1210, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 80 ILE QD1 130 GLN HE21 5.20 (#peak 6031)
&rst
ixpk= 6031, nxpk= 0, iat= -1,1947, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1204,1205,1206,
&end
#
# 80 ILE QD1 132 TYR HB2 5.41 (#peak 6429)
&rst
ixpk= 6429, nxpk= 0, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1204,1205,1206,
&end
#
# 80 ILE QD1 132 TYR HB3 5.46 (#peak 6430)
&rst
ixpk= 6430, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1204,1205,1206,
&end
#
# 80 ILE QG2 80 ILE HG12 3.99 (#peak 2550)
&rst
ixpk= 2550, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1197,1198,1199,
&end
#
# 80 ILE QG2 80 ILE HG13 3.67 (#peak 2554)
&rst
ixpk= 2554, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1197,1198,1199,
&end
#
# 80 ILE QG2 80 ILE QD1 3.54 (#peak 2150)
&rst
ixpk= 2150, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1197,1198,1199,
igr2=1204,1205,1206,
&end
#
# 81 GLU HN 81 GLU QB 3.59 (#peak 68)
&rst
ixpk= 68, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1214,1215,
&end
#
# 81 GLU HN 82 GLY HN 6.09 (#peak 66)
&rst
ixpk= 66, nxpk= 0, iat=1210,1225, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 81 GLU QB 128 ASN HA 5.69 (#peak 5641)
&rst
ixpk= 5641, nxpk= 0, iat= -1,1913, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1214,1215,
&end
#
# 81 GLU QB 129 ALA HA 4.98 (#peak 5640)
&rst
ixpk= 5640, nxpk= 0, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1214,1215,
&end
#
# 81 GLU QB 129 ALA QB 4.41 (#peak 5643)
&rst
ixpk= 5643, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1214,1215,
igr2=1929,1930,1931,
&end
#
# 81 GLU QB 82 GLY HN 5.93 (#peak 1750)
&rst
ixpk= 1750, nxpk= 0, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1214,1215,
&end
#
# 81 GLU QB 82 GLY HA3 6.09 (#peak 5872)
&rst
ixpk= 5872, nxpk= 0, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1=1214,1215,
&end
#
# 82 GLY HN 83 LEU HN 6.04 (#peak 1747)
&rst
ixpk= 1747, nxpk= 0, iat=1225,1232, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 82 GLY HA2 84 LEU HN 6.09 (#peak 134)
&rst
ixpk= 134, nxpk= 0, iat=1227,1251, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 82 GLY HA3 84 LEU HN 6.15 (#peak 1440)
&rst
ixpk= 1440, nxpk= 0, iat=1228,1251, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 83 LEU HN 83 LEU HG 6.15 (#peak 785)
&rst
ixpk= 785, nxpk= 0, iat=1232,1239, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 83 LEU HN 83 LEU QD1 6.15 (#peak 789)
&rst
ixpk= 789, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1241,1242,1243,
&end
#
# 83 LEU HN 84 LEU HN 5.81 (#peak 782)
&rst
ixpk= 782, nxpk= 0, iat=1232,1251, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 83 LEU HN 84 LEU QD1 6.15 (#peak 2553)
&rst
ixpk= 2553, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1260,1261,1262,
&end
#
# 83 LEU HA 83 LEU QD1 3.86 (#peak 2650)
&rst
ixpk= 2650, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1241,1242,1243,
&end
#
# 83 LEU HB2 83 LEU QD1 4.19 (#peak 71)
&rst
ixpk= 71, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1241,1242,1243,
&end
#
# 83 LEU HB2 84 LEU HN 6.15 (#peak 132)
&rst
ixpk= 132, nxpk= 0, iat=1236,1251, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 83 LEU HB3 83 LEU QD1 3.24 (#peak 1423)
&rst
ixpk= 1423, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1241,1242,1243,
&end
#
# 83 LEU HB3 84 LEU HN 5.90 (#peak 137)
&rst
ixpk= 137, nxpk= 0, iat=1237,1251, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 83 LEU HG 84 LEU HN 6.00 (#peak 131)
&rst
ixpk= 131, nxpk= 0, iat=1239,1251, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 83 LEU QD1 84 LEU HN 5.09 (#peak 136)
&rst
ixpk= 136, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1241,1242,1243,
&end
#
# 84 LEU HN 84 LEU HB2 4.14 (#peak 138)
&rst
ixpk= 138, nxpk= 0, iat=1251,1255, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 84 LEU HN 84 LEU HG 5.87 (#peak 135)
&rst
ixpk= 135, nxpk= 0, iat=1251,1258, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 84 LEU HN 84 LEU QD1 4.84 (#peak 126)
&rst
ixpk= 126, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1260,1261,1262,
&end
#
# 84 LEU HN 85 HIS HN 4.66 (#peak 133)
&rst
ixpk= 133, nxpk= 0, iat=1251,1270, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 84 LEU HB2 84 LEU QD1 3.32 (#peak 2513)
&rst
ixpk= 2513, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1260,1261,1262,
&end
#
# 84 LEU HB2 85 HIS HN 5.80 (#peak 1523)
&rst
ixpk= 1523, nxpk= 0, iat=1255,1270, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 84 LEU HB3 84 LEU QD1 3.33 (#peak 2518)
&rst
ixpk= 2518, nxpk= 0, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1260,1261,1262,
&end
#
# 84 LEU HB3 85 HIS HN 4.72 (#peak 1518)
&rst
ixpk= 1518, nxpk= 0, iat=1256,1270, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 84 LEU HG 85 HIS HN 5.88 (#peak 1522)
&rst
ixpk= 1522, nxpk= 0, iat=1258,1270, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 84 LEU QD1 125 ASN HB2 4.96 (#peak 5873)
&rst
ixpk= 5873, nxpk= 0, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1260,1261,1262,
&end
#
# 84 LEU QD1 85 HIS HN 5.62 (#peak 1515)
&rst
ixpk= 1515, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=1260,1261,1262,
&end
#
# 85 HIS HN 86 LYS HN 5.98 (#peak 2056)
&rst
ixpk= 2056, nxpk= 0, iat=1270,1287, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 85 HIS HA 86 LYS HB2 5.51 (#peak 5625)
&rst
ixpk= 5625, nxpk= 0, iat=1272,1291, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 85 HIS HA 86 LYS QG 6.15 (#peak 5624)
&rst
ixpk= 5624, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1294,1295,
&end
#
# 85 HIS HB2 86 LYS HN 4.81 (#peak 2060)
&rst
ixpk= 2060, nxpk= 0, iat=1274,1287, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 85 HIS HB3 86 LYS HN 6.15 (#peak 2054)
&rst
ixpk= 2054, nxpk= 0, iat=1275,1287, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 85 HIS HB3 86 LYS HA 5.69 (#peak 5614)
&rst
ixpk= 5614, nxpk= 0, iat=1275,1289, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 86 LYS HN 86 LYS HB2 4.16 (#peak 2059)
&rst
ixpk= 2059, nxpk= 0, iat=1287,1291, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 86 LYS HN 86 LYS QD 4.92 (#peak 2053)
&rst
ixpk= 2053, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1297,1298,
&end
#
# 86 LYS HN 86 LYS QG 5.38 (#peak 2057)
&rst
ixpk= 2057, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1294,1295,
&end
#
# 86 LYS HA 86 LYS QD 4.97 (#peak 2646)
&rst
ixpk= 2646, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1297,1298,
&end
#
# 86 LYS HB2 86 LYS QD 3.13 (#peak 1341)
&rst
ixpk= 1341, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=1297,1298,
&end
#
# 86 LYS HB2 86 LYS QE 4.55 (#peak 1336)
&rst
ixpk= 1336, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1300,1301,
&end
#
# 86 LYS HB3 86 LYS QD 2.76 (#peak 2648)
&rst
ixpk= 2648, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr2=1297,1298,
&end
#
# 86 LYS HB3 86 LYS QE 3.63 (#peak 49)
&rst
ixpk= 49, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1300,1301,
&end
#
# 86 LYS HB3 88 ASN HA 5.84 (#peak 5822)
&rst
ixpk= 5822, nxpk= 0, iat=1292,1325, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 86 LYS QG 86 LYS QE 4.05 (#peak 976)
&rst
ixpk= 976, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1294,1295,
igr2=1300,1301,
&end
#
# 88 ASN HN 89 TRP HN 6.02 (#peak 1682)
&rst
ixpk= 1682, nxpk= 0, iat=1323,1337, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 88 ASN HB3 89 TRP HN 6.15 (#peak 1890)
&rst
ixpk= 1890, nxpk= 0, iat=1328,1337, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 89 TRP HN 90 ASN HN 6.15 (#peak 1893)
&rst
ixpk= 1893, nxpk= 0, iat=1337,1361, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 89 TRP HN 90 ASN HB2 6.15 (#peak 2506)
&rst
ixpk= 2506, nxpk= 0, iat=1337,1365, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 89 TRP HN 90 ASN HD21 4.68 (#peak 2645)
&rst
ixpk= 2645, nxpk= 0, iat=1337,1370, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 89 TRP HN 91 ILE HB 4.88 (#peak 2747)
&rst
ixpk= 2747, nxpk= 0, iat=1337,1379, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 89 TRP HN 91 ILE HG12 6.15 (#peak 2539)
&rst
ixpk= 2539, nxpk= 0, iat=1337,1385, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 89 TRP HN 91 ILE HG13 6.15 (#peak 2540)
&rst
ixpk= 2540, nxpk= 0, iat=1337,1386, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 89 TRP HN 91 ILE QG2 6.15 (#peak 2748)
&rst
ixpk= 2748, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1381,1382,1383,
&end
#
# 89 TRP HA 90 ASN HD21 5.50 (#peak 5358)
&rst
ixpk= 5358, nxpk= 0, iat=1339,1370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 TRP QB 90 ASN HN 5.94 (#peak 1484)
&rst
ixpk= 1484, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1341,1342,
&end
#
# 89 TRP QB 90 ASN HD21 4.76 (#peak 5359)
&rst
ixpk= 5359, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1341,1342,
&end
#
# 90 ASN HN 90 ASN HD21 6.15 (#peak 1476)
&rst
ixpk= 1476, nxpk= 0, iat=1361,1370, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 90 ASN HN 91 ILE HN 6.15 (#peak 1480)
&rst
ixpk= 1480, nxpk= 0, iat=1361,1375, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 90 ASN HA 90 ASN HD21 6.15 (#peak 36)
&rst
ixpk= 36, nxpk= 0, iat=1363,1370, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 90 ASN HA 90 ASN HD22 6.15 (#peak 1458)
&rst
ixpk= 1458, nxpk= 0, iat=1363,1371, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 90 ASN HB2 91 ILE HN 5.97 (#peak 814)
&rst
ixpk= 814, nxpk= 0, iat=1365,1375, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 90 ASN HB2 92 GLU HN 5.81 (#peak 1865)
&rst
ixpk= 1865, nxpk= 0, iat=1365,1394, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 90 ASN HB3 91 ILE HN 5.94 (#peak 812)
&rst
ixpk= 812, nxpk= 0, iat=1366,1375, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 91 ILE HN 91 ILE HG12 5.92 (#peak 820)
&rst
ixpk= 820, nxpk= 0, iat=1375,1385, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 91 ILE HN 91 ILE HG13 5.98 (#peak 817)
&rst
ixpk= 817, nxpk= 0, iat=1375,1386, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 91 ILE HN 91 ILE QD1 6.15 (#peak 818)
&rst
ixpk= 818, nxpk= 0, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1388,1389,1390,
&end
#
# 91 ILE HN 91 ILE QG2 6.15 (#peak 816)
&rst
ixpk= 816, nxpk= 0, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1381,1382,1383,
&end
#
# 91 ILE HN 92 GLU HN 5.76 (#peak 1866)
&rst
ixpk= 1866, nxpk= 0, iat=1375,1394, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 91 ILE HN 93 ASP HN 6.04 (#peak 2526)
&rst
ixpk= 2526, nxpk= 0, iat=1375,1409, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 91 ILE HA 91 ILE HG12 4.01 (#peak 3362)
&rst
ixpk= 3362, nxpk= 0, iat=1377,1385, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 91 ILE HA 91 ILE HG13 4.15 (#peak 3358)
&rst
ixpk= 3358, nxpk= 0, iat=1377,1386, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 91 ILE HA 91 ILE QD1 4.16 (#peak 3364)
&rst
ixpk= 3364, nxpk= 0, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1388,1389,1390,
&end
#
# 91 ILE HA 91 ILE QG2 3.97 (#peak 3361)
&rst
ixpk= 3361, nxpk= 0, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1381,1382,1383,
&end
#
# 91 ILE HA 93 ASP HN 5.82 (#peak 2528)
&rst
ixpk= 2528, nxpk= 0, iat=1377,1409, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 91 ILE HB 91 ILE QD1 3.62 (#peak 4221)
&rst
ixpk= 4221, nxpk= 0, iat=1379, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1388,1389,1390,
&end
#
# 91 ILE HB 92 GLU HN 6.13 (#peak 1875)
&rst
ixpk= 1875, nxpk= 0, iat=1379,1394, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 91 ILE HB 94 ASN HB2 5.11 (#peak 6455)
&rst
ixpk= 6455, nxpk= 0, iat=1379,1425, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 91 ILE HB 94 ASN HB3 4.69 (#peak 6456)
&rst
ixpk= 6456, nxpk= 0, iat=1379,1426, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 91 ILE HG12 92 GLU HN 5.85 (#peak 1871)
&rst
ixpk= 1871, nxpk= 0, iat=1385,1394, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 91 ILE HG13 92 GLU HN 5.84 (#peak 1869)
&rst
ixpk= 1869, nxpk= 0, iat=1386,1394, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 91 ILE QD1 92 GLU HN 5.83 (#peak 1870)
&rst
ixpk= 1870, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1388,1389,1390,
&end
#
# 91 ILE QG2 91 ILE HG13 3.59 (#peak 303)
&rst
ixpk= 303, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1381,1382,1383,
&end
#
# 91 ILE QG2 91 ILE QD1 3.78 (#peak 4103)
&rst
ixpk= 4103, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1381,1382,1383,
igr2=1388,1389,1390,
&end
#
# 91 ILE QG2 92 GLU HN 6.01 (#peak 1868)
&rst
ixpk= 1868, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1=1381,1382,1383,
&end
#
# 92 GLU HN 92 GLU HG2 6.15 (#peak 1867)
&rst
ixpk= 1867, nxpk= 0, iat=1394,1401, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 92 GLU HN 92 GLU HG3 6.15 (#peak 1873)
&rst
ixpk= 1873, nxpk= 0, iat=1394,1402, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 92 GLU HN 93 ASP HN 5.71 (#peak 1864)
&rst
ixpk= 1864, nxpk= 0, iat=1394,1409, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 92 GLU HA 92 GLU HG2 3.73 (#peak 815)
&rst
ixpk= 815, nxpk= 0, iat=1396,1401, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 92 GLU HA 92 GLU HG3 3.74 (#peak 817)
&rst
ixpk= 817, nxpk= 0, iat=1396,1402, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 92 GLU HB2 93 ASP HN 6.15 (#peak 603)
&rst
ixpk= 603, nxpk= 0, iat=1398,1409, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 92 GLU HB3 93 ASP HN 6.15 (#peak 595)
&rst
ixpk= 595, nxpk= 0, iat=1399,1409, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 92 GLU HG2 93 ASP HN 6.15 (#peak 599)
&rst
ixpk= 599, nxpk= 0, iat=1401,1409, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 92 GLU HG3 93 ASP HN 6.15 (#peak 604)
&rst
ixpk= 604, nxpk= 0, iat=1402,1409, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 93 ASP HN 94 ASN HN 4.85 (#peak 602)
&rst
ixpk= 602, nxpk= 0, iat=1409,1421, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 93 ASP HB2 94 ASN HN 6.15 (#peak 1306)
&rst
ixpk= 1306, nxpk= 0, iat=1413,1421, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 93 ASP HB3 94 ASN HN 5.83 (#peak 1304)
&rst
ixpk= 1304, nxpk= 0, iat=1414,1421, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 94 ASN HN 94 ASN HD21 5.72 (#peak 1300)
&rst
ixpk= 1300, nxpk= 0, iat=1421,1430, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 94 ASN HA 94 ASN HD22 5.17 (#peak 1095)
&rst
ixpk= 1095, nxpk= 0, iat=1423,1431, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 94 ASN HB3 95 ASN HN 6.15 (#peak 3388)
&rst
ixpk= 3388, nxpk= 0, iat=1426,1435, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 95 ASN HN 95 ASN HD21 6.15 (#peak 225)
&rst
ixpk= 225, nxpk= 0, iat=1435,1444, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 95 ASN HN 95 ASN HD22 4.82 (#peak 1942)
&rst
ixpk= 1942, nxpk= 0, iat=1435,1445, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 95 ASN HA 95 ASN HD22 6.06 (#peak 1945)
&rst
ixpk= 1945, nxpk= 0, iat=1437,1445, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 95 ASN HB2 95 ASN HD22 3.96 (#peak 1944)
&rst
ixpk= 1944, nxpk= 0, iat=1439,1445, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 97 LYS HN 97 LYS HG2 6.11 (#peak 903)
&rst
ixpk= 903, nxpk= 0, iat=1468,1475, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 97 LYS HN 97 LYS HG3 6.14 (#peak 908)
&rst
ixpk= 908, nxpk= 0, iat=1468,1476, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 97 LYS HN 97 LYS QD 6.15 (#peak 907)
&rst
ixpk= 907, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1478,1479,
&end
#
# 97 LYS HN 98 ASN HN 4.37 (#peak 906)
&rst
ixpk= 906, nxpk= 0, iat=1468,1490, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 97 LYS HA 97 LYS QD 6.08 (#peak 1048)
&rst
ixpk= 1048, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr2=1478,1479,
&end
#
# 97 LYS HA 97 LYS QE 4.27 (#peak 1822)
&rst
ixpk= 1822, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1481,1482,
&end
#
# 97 LYS HB2 97 LYS QD 3.50 (#peak 4377)
&rst
ixpk= 4377, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1478,1479,
&end
#
# 97 LYS HB2 97 LYS QE 3.90 (#peak 1823)
&rst
ixpk= 1823, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1481,1482,
&end
#
# 97 LYS HB2 98 ASN HN 6.15 (#peak 1071)
&rst
ixpk= 1071, nxpk= 0, iat=1472,1490, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 97 LYS HB3 97 LYS QD 3.48 (#peak 3132)
&rst
ixpk= 3132, nxpk= 0, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1478,1479,
&end
#
# 97 LYS HB3 97 LYS QE 4.14 (#peak 1826)
&rst
ixpk= 1826, nxpk= 0, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1481,1482,
&end
#
# 97 LYS HB3 98 ASN HN 6.15 (#peak 1070)
&rst
ixpk= 1070, nxpk= 0, iat=1473,1490, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 97 LYS HG2 97 LYS QE 3.93 (#peak 1824)
&rst
ixpk= 1824, nxpk= 0, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1481,1482,
&end
#
# 97 LYS HG2 98 ASN HN 5.88 (#peak 1072)
&rst
ixpk= 1072, nxpk= 0, iat=1475,1490, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 97 LYS HG2 98 ASN HA 4.31 (#peak 5360)
&rst
ixpk= 5360, nxpk= 0, iat=1475,1492, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 97 LYS HG3 97 LYS QE 3.91 (#peak 1828)
&rst
ixpk= 1828, nxpk= 0, iat=1476, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1481,1482,
&end
#
# 97 LYS HG3 98 ASN HN 4.41 (#peak 1081)
&rst
ixpk= 1081, nxpk= 0, iat=1476,1490, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 98 ASN HN 98 ASN HD21 5.78 (#peak 1695)
&rst
ixpk= 1695, nxpk= 0, iat=1490,1499, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 98 ASN HN 99 ALA HN 5.86 (#peak 1079)
&rst
ixpk= 1079, nxpk= 0, iat=1490,1504, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 98 ASN HA 98 ASN HD21 4.47 (#peak 1696)
&rst
ixpk= 1696, nxpk= 0, iat=1492,1499, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 98 ASN HA 98 ASN HD22 5.16 (#peak 2615)
&rst
ixpk= 2615, nxpk= 0, iat=1492,1500, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 98 ASN HB2 99 ALA HN 6.15 (#peak 1529)
&rst
ixpk= 1529, nxpk= 0, iat=1494,1504, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 98 ASN HB3 99 ALA HN 6.15 (#peak 1528)
&rst
ixpk= 1528, nxpk= 0, iat=1495,1504, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 99 ALA HN 100 SER HN 6.00 (#peak 1348)
&rst
ixpk= 1348, nxpk= 0, iat=1504,1514, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 99 ALA HA 100 SER QB 4.65 (#peak 5364)
&rst
ixpk= 5364, nxpk= 0, iat=1506, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1518,1519,
&end
#
# 99 ALA QB 100 SER HN 5.95 (#peak 1347)
&rst
ixpk= 1347, nxpk= 0, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr1=1508,1509,1510,
&end
#
# 99 ALA QB 100 SER HA 4.99 (#peak 5363)
&rst
ixpk= 5363, nxpk= 0, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1508,1509,1510,
&end
#
# 100 SER HA 101 LEU QD1 5.88 (#peak 5372)
&rst
ixpk= 5372, nxpk= 0, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2=1534,1535,1536,
&end
#
# 100 SER HA 101 LEU QD2 4.65 (#peak 5370)
&rst
ixpk= 5370, nxpk= 0, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1538,1539,1540,
&end
#
# 100 SER QB 101 LEU HN 5.74 (#peak 879)
&rst
ixpk= 879, nxpk= 0, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1518,1519,
&end
#
# 100 SER QB 101 LEU HB3 6.15 (#peak 5365)
&rst
ixpk= 5365, nxpk= 0, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1518,1519,
&end
#
# 100 SER QB 101 LEU QD1 5.93 (#peak 5367)
&rst
ixpk= 5367, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1=1518,1519,
igr2=1534,1535,1536,
&end
#
# 100 SER QB 101 LEU QD2 5.46 (#peak 5366)
&rst
ixpk= 5366, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1=1518,1519,
igr2=1538,1539,1540,
&end
#
# 101 LEU HN 101 LEU HG 5.91 (#peak 883)
&rst
ixpk= 883, nxpk= 0, iat=1525,1532, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 101 LEU HN 101 LEU QD1 5.74 (#peak 880)
&rst
ixpk= 880, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2=1534,1535,1536,
&end
#
# 101 LEU HN 101 LEU QD2 5.79 (#peak 882)
&rst
ixpk= 882, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr2=1538,1539,1540,
&end
#
# 101 LEU HN 102 VAL HN 6.15 (#peak 1932)
&rst
ixpk= 1932, nxpk= 0, iat=1525,1544, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 101 LEU HA 101 LEU HG 3.75 (#peak 523)
&rst
ixpk= 523, nxpk= 0, iat=1527,1532, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 101 LEU HA 101 LEU QD1 4.34 (#peak 522)
&rst
ixpk= 522, nxpk= 0, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1534,1535,1536,
&end
#
# 101 LEU HA 101 LEU QD2 3.81 (#peak 3614)
&rst
ixpk= 3614, nxpk= 0, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1538,1539,1540,
&end
#
# 101 LEU HB2 101 LEU QD1 3.24 (#peak 754)
&rst
ixpk= 754, nxpk= 0, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1534,1535,1536,
&end
#
# 101 LEU HB2 101 LEU QD2 3.61 (#peak 1390)
&rst
ixpk= 1390, nxpk= 0, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1538,1539,1540,
&end
#
# 101 LEU HB2 102 VAL HN 6.06 (#peak 1941)
&rst
ixpk= 1941, nxpk= 0, iat=1529,1544, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 101 LEU HB3 101 LEU QD1 3.94 (#peak 756)
&rst
ixpk= 756, nxpk= 0, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1534,1535,1536,
&end
#
# 101 LEU HB3 101 LEU QD2 3.24 (#peak 3316)
&rst
ixpk= 3316, nxpk= 0, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1538,1539,1540,
&end
#
# 101 LEU HB3 102 VAL HN 6.09 (#peak 1939)
&rst
ixpk= 1939, nxpk= 0, iat=1530,1544, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 101 LEU HG 102 VAL HN 4.57 (#peak 1937)
&rst
ixpk= 1937, nxpk= 0, iat=1532,1544, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 101 LEU QD2 102 VAL HN 5.95 (#peak 1936)
&rst
ixpk= 1936, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr1=1538,1539,1540,
&end
#
# 101 LEU QD2 102 VAL HB 6.15 (#peak 5374)
&rst
ixpk= 5374, nxpk= 0, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1538,1539,1540,
&end
#
# 102 VAL HN 102 VAL QQG 5.21 (#peak 1933)
&rst
ixpk= 1933, nxpk= 0, iat=1544, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 102 VAL HN 103 GLN HN 5.92 (#peak 1989)
&rst
ixpk= 1989, nxpk= 0, iat=1544,1560, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 102 VAL HN 103 GLN HE21 6.15 (#peak 2311)
&rst
ixpk= 2311, nxpk= 0, iat=1544,1572, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 102 VAL HA 102 VAL QQG 3.81 (#peak 3429)
&rst
ixpk= 3429, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 102 VAL QQG 103 GLN HN 6.15 (#peak 1985)
&rst
ixpk= 1985, nxpk= 0, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr1=1550,1551,1552,1554,1555,1556,
&end
#
# 103 GLN HN 103 GLN QG 5.84 (#peak 1988)
&rst
ixpk= 1988, nxpk= 0, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1567,1568,
&end
#
# 103 GLN HA 103 GLN HE22 6.15 (#peak 506)
&rst
ixpk= 506, nxpk= 0, iat=1562,1573, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 103 GLN HA 103 GLN QG 3.85 (#peak 3350)
&rst
ixpk= 3350, nxpk= 0, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1567,1568,
&end
#
# 103 GLN HA 104 ILE HB 5.17 (#peak 5630)
&rst
ixpk= 5630, nxpk= 0, iat=1562,1581, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 103 GLN HB2 103 GLN HE21 3.94 (#peak 342)
&rst
ixpk= 342, nxpk= 0, iat=1564,1572, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 103 GLN HB2 103 GLN HE22 3.93 (#peak 1623)
&rst
ixpk= 1623, nxpk= 0, iat=1564,1573, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 103 GLN HB2 103 GLN QG 3.00 (#peak 1432)
&rst
ixpk= 1432, nxpk= 0, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1567,1568,
&end
#
# 103 GLN HB2 104 ILE HN 5.75 (#peak 513)
&rst
ixpk= 513, nxpk= 0, iat=1564,1577, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 103 GLN HB3 103 GLN HE21 4.93 (#peak 340)
&rst
ixpk= 340, nxpk= 0, iat=1565,1572, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 103 GLN HB3 103 GLN HE22 6.11 (#peak 1621)
&rst
ixpk= 1621, nxpk= 0, iat=1565,1573, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 103 GLN HB3 104 ILE HN 4.87 (#peak 510)
&rst
ixpk= 510, nxpk= 0, iat=1565,1577, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 103 GLN QG 103 GLN HE21 3.86 (#peak 344)
&rst
ixpk= 344, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1567,1568,
&end
#
# 103 GLN QG 104 ILE HN 6.15 (#peak 518)
&rst
ixpk= 518, nxpk= 0, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1567,1568,
&end
#
# 104 ILE HN 104 ILE HG12 6.01 (#peak 511)
&rst
ixpk= 511, nxpk= 0, iat=1577,1587, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 104 ILE HN 104 ILE HG13 5.78 (#peak 519)
&rst
ixpk= 519, nxpk= 0, iat=1577,1588, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 104 ILE HN 104 ILE QD1 6.15 (#peak 516)
&rst
ixpk= 516, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1590,1591,1592,
&end
#
# 104 ILE HN 104 ILE QG2 6.15 (#peak 514)
&rst
ixpk= 514, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1583,1584,1585,
&end
#
# 104 ILE HN 105 ASP HN 6.15 (#peak 521)
&rst
ixpk= 521, nxpk= 0, iat=1577,1596, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 104 ILE HA 104 ILE QD1 4.13 (#peak 736)
&rst
ixpk= 736, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1590,1591,1592,
&end
#
# 104 ILE HA 106 ALA HN 4.08 (#peak 2530)
&rst
ixpk= 2530, nxpk= 0, iat=1579,1608, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 104 ILE HB 104 ILE QD1 3.80 (#peak 4129)
&rst
ixpk= 4129, nxpk= 0, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1590,1591,1592,
&end
#
# 104 ILE HB 105 ASP HN 5.83 (#peak 2185)
&rst
ixpk= 2185, nxpk= 0, iat=1581,1596, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 104 ILE HB 106 ALA HN 5.66 (#peak 2647)
&rst
ixpk= 2647, nxpk= 0, iat=1581,1608, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 104 ILE HG12 105 ASP HN 6.15 (#peak 2179)
&rst
ixpk= 2179, nxpk= 0, iat=1587,1596, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 104 ILE QD1 105 ASP HN 5.85 (#peak 2184)
&rst
ixpk= 2184, nxpk= 0, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr1=1590,1591,1592,
&end
#
# 104 ILE QG2 104 ILE HG12 3.15 (#peak 3597)
&rst
ixpk= 3597, nxpk= 0, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1583,1584,1585,
&end
#
# 104 ILE QG2 104 ILE HG13 3.28 (#peak 1188)
&rst
ixpk= 1188, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1583,1584,1585,
&end
#
# 104 ILE QG2 104 ILE QD1 2.40 (#peak 734)
&rst
ixpk= 734, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=1583,1584,1585,
igr2=1590,1591,1592,
&end
#
# 104 ILE QG2 105 ASP HN 5.76 (#peak 2182)
&rst
ixpk= 2182, nxpk= 0, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1583,1584,1585,
&end
#
# 105 ASP HA 107 SER HN 6.15 (#peak 2531)
&rst
ixpk= 2531, nxpk= 0, iat=1598,1618, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 105 ASP HB2 106 ALA HN 4.28 (#peak 1725)
&rst
ixpk= 1725, nxpk= 0, iat=1600,1608, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 105 ASP HB3 106 ALA HN 4.05 (#peak 1727)
&rst
ixpk= 1727, nxpk= 0, iat=1601,1608, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 105 ASP HB3 106 ALA HA 5.55 (#peak 5378)
&rst
ixpk= 5378, nxpk= 0, iat=1601,1610, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 106 ALA HN 106 ALA QB 3.52 (#peak 1724)
&rst
ixpk= 1724, nxpk= 0, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1612,1613,1614,
&end
#
# 106 ALA QB 107 SER HN 5.32 (#peak 1226)
&rst
ixpk= 1226, nxpk= 0, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1612,1613,1614,
&end
#
# 107 SER HN 107 SER HB2 4.04 (#peak 1229)
&rst
ixpk= 1229, nxpk= 0, iat=1618,1622, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 107 SER HN 107 SER HB3 3.92 (#peak 1227)
&rst
ixpk= 1227, nxpk= 0, iat=1618,1623, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 107 SER HB2 108 ASN HN 6.15 (#peak 1690)
&rst
ixpk= 1690, nxpk= 0, iat=1622,1629, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 108 ASN HN 108 ASN HD21 6.15 (#peak 2083)
&rst
ixpk= 2083, nxpk= 0, iat=1629,1638, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 108 ASN HA 108 ASN HD21 6.15 (#peak 2084)
&rst
ixpk= 2084, nxpk= 0, iat=1631,1638, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 108 ASN HA 108 ASN HD22 5.95 (#peak 720)
&rst
ixpk= 720, nxpk= 0, iat=1631,1639, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 108 ASN HB2 109 GLU HN 5.68 (#peak 837)
&rst
ixpk= 837, nxpk= 0, iat=1633,1643, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 108 ASN HB3 109 GLU HN 5.79 (#peak 833)
&rst
ixpk= 833, nxpk= 0, iat=1634,1643, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 109 GLU HN 109 GLU HB3 4.02 (#peak 838)
&rst
ixpk= 838, nxpk= 0, iat=1643,1648, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 109 GLU HN 109 GLU HG2 5.14 (#peak 841)
&rst
ixpk= 841, nxpk= 0, iat=1643,1650, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 109 GLU HN 109 GLU HG3 5.08 (#peak 836)
&rst
ixpk= 836, nxpk= 0, iat=1643,1651, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 109 GLU HB2 109 GLU HG3 2.53 (#peak 3861)
&rst
ixpk= 3861, nxpk= 0, iat=1647,1651, r1= 1.30, r2= 1.80, r3= 2.53, r4= 3.03, &end
#
# 109 GLU HB3 110 GLN HN 6.15 (#peak 16)
&rst
ixpk= 16, nxpk= 0, iat=1648,1658, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 109 GLU HG3 110 GLN HN 5.90 (#peak 13)
&rst
ixpk= 13, nxpk= 0, iat=1651,1658, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 110 GLN HN 110 GLN QG 5.91 (#peak 15)
&rst
ixpk= 15, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2=1665,1666,
&end
#
# 110 GLN HA 110 GLN QG 4.21 (#peak 3495)
&rst
ixpk= 3495, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1665,1666,
&end
#
# 110 GLN HB2 111 SER HB2 4.87 (#peak 5380)
&rst
ixpk= 5380, nxpk= 0, iat=1662,1679, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 111 SER HN 112 SER HN 6.15 (#peak 1038)
&rst
ixpk= 1038, nxpk= 0, iat=1675,1686, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 111 SER HA 111 SER HB3 2.90 (#peak 3160)
&rst
ixpk= 3160, nxpk= 0, iat=1677,1680, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 112 SER HB3 113 THR HA 5.52 (#peak 5381)
&rst
ixpk= 5381, nxpk= 0, iat=1691,1699, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 113 THR HN 113 THR QG2 6.15 (#peak 1906)
&rst
ixpk= 1906, nxpk= 0, iat=1697, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1703,1704,1705,
&end
#
# 116 SER HN 117 MET HN 6.03 (#peak 301)
&rst
ixpk= 301, nxpk= 0, iat=1733,1744, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 116 SER HA 119 ILE HG13 5.11 (#peak 5574)
&rst
ixpk= 5574, nxpk= 0, iat=1735,1791, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 116 SER QB 117 MET HN 6.12 (#peak 745)
&rst
ixpk= 745, nxpk= 0, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=1737,1738,
&end
#
# 117 MET HN 117 MET HG2 6.15 (#peak 746)
&rst
ixpk= 746, nxpk= 0, iat=1744,1751, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 117 MET HN 117 MET HG3 6.15 (#peak 753)
&rst
ixpk= 753, nxpk= 0, iat=1744,1752, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 117 MET HN 118 ILE HN 5.76 (#peak 752)
&rst
ixpk= 752, nxpk= 0, iat=1744,1761, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 117 MET HB2 118 ILE HN 6.15 (#peak 1822)
&rst
ixpk= 1822, nxpk= 0, iat=1748,1761, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 117 MET HG2 118 ILE HN 6.01 (#peak 1815)
&rst
ixpk= 1815, nxpk= 0, iat=1751,1761, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 117 MET HG3 118 ILE HN 5.67 (#peak 1824)
&rst
ixpk= 1824, nxpk= 0, iat=1752,1761, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 118 ILE HN 118 ILE HG12 5.83 (#peak 1818)
&rst
ixpk= 1818, nxpk= 0, iat=1761,1771, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 118 ILE HN 118 ILE HG13 6.15 (#peak 1814)
&rst
ixpk= 1814, nxpk= 0, iat=1761,1772, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 118 ILE HN 118 ILE QD1 5.82 (#peak 1812)
&rst
ixpk= 1812, nxpk= 0, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr2=1774,1775,1776,
&end
#
# 118 ILE HN 118 ILE QG2 6.11 (#peak 1820)
&rst
ixpk= 1820, nxpk= 0, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr2=1767,1768,1769,
&end
#
# 118 ILE HN 119 ILE HN 5.92 (#peak 2202)
&rst
ixpk= 2202, nxpk= 0, iat=1761,1780, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 118 ILE HA 118 ILE QD1 4.26 (#peak 2595)
&rst
ixpk= 2595, nxpk= 0, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1774,1775,1776,
&end
#
# 118 ILE HA 118 ILE QG2 3.94 (#peak 2602)
&rst
ixpk= 2602, nxpk= 0, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1767,1768,1769,
&end
#
# 118 ILE HA 121 ALA HN 6.15 (#peak 2501)
&rst
ixpk= 2501, nxpk= 0, iat=1763,1811, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 118 ILE HB 118 ILE QD1 3.44 (#peak 1273)
&rst
ixpk= 1273, nxpk= 0, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1774,1775,1776,
&end
#
# 118 ILE HB 119 ILE HN 6.15 (#peak 2201)
&rst
ixpk= 2201, nxpk= 0, iat=1765,1780, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 118 ILE HG12 119 ILE HN 6.15 (#peak 2197)
&rst
ixpk= 2197, nxpk= 0, iat=1771,1780, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 118 ILE HG13 119 ILE HN 5.81 (#peak 2192)
&rst
ixpk= 2192, nxpk= 0, iat=1772,1780, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 118 ILE QD1 119 ILE HN 6.14 (#peak 2190)
&rst
ixpk= 2190, nxpk= 0, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1=1774,1775,1776,
&end
#
# 118 ILE QG2 118 ILE HG12 3.44 (#peak 3341)
&rst
ixpk= 3341, nxpk= 0, iat= -1,1771, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1767,1768,1769,
&end
#
# 118 ILE QG2 118 ILE HG13 3.36 (#peak 3337)
&rst
ixpk= 3337, nxpk= 0, iat= -1,1772, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1767,1768,1769,
&end
#
# 118 ILE QG2 118 ILE QD1 3.79 (#peak 3336)
&rst
ixpk= 3336, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1767,1768,1769,
igr2=1774,1775,1776,
&end
#
# 118 ILE QG2 119 ILE HN 6.15 (#peak 2200)
&rst
ixpk= 2200, nxpk= 0, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1767,1768,1769,
&end
#
# 119 ILE HN 119 ILE HG12 6.15 (#peak 2203)
&rst
ixpk= 2203, nxpk= 0, iat=1780,1790, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 119 ILE HN 119 ILE HG13 6.15 (#peak 2199)
&rst
ixpk= 2199, nxpk= 0, iat=1780,1791, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 119 ILE HN 119 ILE QD1 4.19 (#peak 2196)
&rst
ixpk= 2196, nxpk= 0, iat=1780, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1793,1794,1795,
&end
#
# 119 ILE HN 119 ILE QG2 6.15 (#peak 2198)
&rst
ixpk= 2198, nxpk= 0, iat=1780, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1786,1787,1788,
&end
#
# 119 ILE HN 120 ASP HN 5.86 (#peak 2195)
&rst
ixpk= 2195, nxpk= 0, iat=1780,1799, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 119 ILE HA 119 ILE HG12 4.18 (#peak 151)
&rst
ixpk= 151, nxpk= 0, iat=1782,1790, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 119 ILE HA 119 ILE HG13 3.70 (#peak 155)
&rst
ixpk= 155, nxpk= 0, iat=1782,1791, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 119 ILE HA 119 ILE QD1 3.78 (#peak 150)
&rst
ixpk= 150, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1793,1794,1795,
&end
#
# 119 ILE HA 119 ILE QG2 3.61 (#peak 153)
&rst
ixpk= 153, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1786,1787,1788,
&end
#
# 119 ILE HB 119 ILE QD1 3.28 (#peak 647)
&rst
ixpk= 647, nxpk= 0, iat=1784, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1793,1794,1795,
&end
#
# 119 ILE HB 120 ASP HN 4.62 (#peak 669)
&rst
ixpk= 669, nxpk= 0, iat=1784,1799, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 119 ILE HG12 120 ASP HN 6.15 (#peak 674)
&rst
ixpk= 674, nxpk= 0, iat=1790,1799, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 119 ILE QD1 120 ASP HN 4.52 (#peak 671)
&rst
ixpk= 671, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1793,1794,1795,
&end
#
# 119 ILE QD1 120 ASP HB2 4.31 (#peak 5385)
&rst
ixpk= 5385, nxpk= 0, iat= -1,1803, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1793,1794,1795,
&end
#
# 119 ILE QD1 120 ASP HB3 4.85 (#peak 5386)
&rst
ixpk= 5386, nxpk= 0, iat= -1,1804, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1793,1794,1795,
&end
#
# 119 ILE QG2 119 ILE HG12 3.49 (#peak 3051)
&rst
ixpk= 3051, nxpk= 0, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1786,1787,1788,
&end
#
# 119 ILE QG2 120 ASP HN 4.60 (#peak 672)
&rst
ixpk= 672, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1786,1787,1788,
&end
#
# 120 ASP HN 120 ASP HB3 4.15 (#peak 673)
&rst
ixpk= 673, nxpk= 0, iat=1799,1804, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 120 ASP HA 122 GLN HN 6.15 (#peak 2502)
&rst
ixpk= 2502, nxpk= 0, iat=1801,1821, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 120 ASP HA 123 ILE HB 4.31 (#peak 5562)
&rst
ixpk= 5562, nxpk= 0, iat=1801,1842, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 120 ASP HB2 121 ALA HN 4.65 (#peak 124)
&rst
ixpk= 124, nxpk= 0, iat=1803,1811, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 120 ASP HB2 121 ALA QB 5.78 (#peak 5388)
&rst
ixpk= 5388, nxpk= 0, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2=1815,1816,1817,
&end
#
# 120 ASP HB3 121 ALA HN 4.52 (#peak 123)
&rst
ixpk= 123, nxpk= 0, iat=1804,1811, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 120 ASP HB3 121 ALA QB 5.65 (#peak 5387)
&rst
ixpk= 5387, nxpk= 0, iat=1804, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1815,1816,1817,
&end
#
# 121 ALA HN 121 ALA QB 3.89 (#peak 122)
&rst
ixpk= 122, nxpk= 0, iat=1811, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1815,1816,1817,
&end
#
# 121 ALA HA 124 SER HN 6.13 (#peak 2503)
&rst
ixpk= 2503, nxpk= 0, iat=1813,1857, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 121 ALA QB 122 GLN HN 4.17 (#peak 615)
&rst
ixpk= 615, nxpk= 0, iat= -1,1821, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1815,1816,1817,
&end
#
# 121 ALA QB 122 GLN HE21 5.79 (#peak 2524)
&rst
ixpk= 2524, nxpk= 0, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1=1815,1816,1817,
&end
#
# 121 ALA QB 122 GLN HE22 6.15 (#peak 2525)
&rst
ixpk= 2525, nxpk= 0, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1815,1816,1817,
&end
#
# 122 GLN HN 122 GLN HB2 4.02 (#peak 606)
&rst
ixpk= 606, nxpk= 0, iat=1821,1825, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 122 GLN HN 122 GLN HB3 4.01 (#peak 611)
&rst
ixpk= 611, nxpk= 0, iat=1821,1826, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 122 GLN HN 122 GLN HG2 6.15 (#peak 607)
&rst
ixpk= 607, nxpk= 0, iat=1821,1828, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 122 GLN HN 122 GLN HG3 4.90 (#peak 612)
&rst
ixpk= 612, nxpk= 0, iat=1821,1829, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 122 GLN HN 123 ILE HN 5.89 (#peak 617)
&rst
ixpk= 617, nxpk= 0, iat=1821,1838, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 122 GLN HA 122 GLN HE21 6.04 (#peak 998)
&rst
ixpk= 998, nxpk= 0, iat=1823,1833, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 122 GLN HA 124 SER HN 5.95 (#peak 2535)
&rst
ixpk= 2535, nxpk= 0, iat=1823,1857, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 122 GLN HA 125 ASN HN 6.15 (#peak 2496)
&rst
ixpk= 2496, nxpk= 0, iat=1823,1868, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 122 GLN HA 125 ASN HB3 5.02 (#peak 5559)
&rst
ixpk= 5559, nxpk= 0, iat=1823,1873, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 122 GLN HB2 122 GLN HE21 6.15 (#peak 991)
&rst
ixpk= 991, nxpk= 0, iat=1825,1833, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 122 GLN HB2 122 GLN HE22 4.89 (#peak 964)
&rst
ixpk= 964, nxpk= 0, iat=1825,1834, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 122 GLN HB2 123 ILE HN 6.15 (#peak 1948)
&rst
ixpk= 1948, nxpk= 0, iat=1825,1838, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 122 GLN HB3 122 GLN HE21 6.07 (#peak 994)
&rst
ixpk= 994, nxpk= 0, iat=1826,1833, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 122 GLN HB3 122 GLN HE22 4.52 (#peak 967)
&rst
ixpk= 967, nxpk= 0, iat=1826,1834, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 122 GLN HB3 123 ILE HN 6.15 (#peak 1952)
&rst
ixpk= 1952, nxpk= 0, iat=1826,1838, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 122 GLN HB3 123 ILE HG12 5.80 (#peak 5391)
&rst
ixpk= 5391, nxpk= 0, iat=1826,1848, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 122 GLN HG2 123 ILE HN 5.79 (#peak 1949)
&rst
ixpk= 1949, nxpk= 0, iat=1828,1838, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 122 GLN HG3 123 ILE HN 6.15 (#peak 1955)
&rst
ixpk= 1955, nxpk= 0, iat=1829,1838, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 122 GLN HG3 123 ILE HG13 6.04 (#peak 5393)
&rst
ixpk= 5393, nxpk= 0, iat=1829,1849, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 123 ILE HN 123 ILE HG12 5.78 (#peak 1962)
&rst
ixpk= 1962, nxpk= 0, iat=1838,1848, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 123 ILE HN 123 ILE HG13 4.68 (#peak 2099)
&rst
ixpk= 2099, nxpk= 0, iat=1838,1849, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 123 ILE HN 123 ILE QD1 4.19 (#peak 1953)
&rst
ixpk= 1953, nxpk= 0, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1851,1852,1853,
&end
#
# 123 ILE HN 123 ILE QG2 6.15 (#peak 1954)
&rst
ixpk= 1954, nxpk= 0, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1844,1845,1846,
&end
#
# 123 ILE HN 124 SER HN 5.82 (#peak 1950)
&rst
ixpk= 1950, nxpk= 0, iat=1838,1857, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 123 ILE HA 123 ILE QD1 5.16 (#peak 1128)
&rst
ixpk= 1128, nxpk= 0, iat=1840, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1851,1852,1853,
&end
#
# 123 ILE HA 123 ILE QG2 3.99 (#peak 4042)
&rst
ixpk= 4042, nxpk= 0, iat=1840, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1844,1845,1846,
&end
#
# 123 ILE HA 126 ALA QB 4.38 (#peak 5560)
&rst
ixpk= 5560, nxpk= 0, iat=1840, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1886,1887,1888,
&end
#
# 123 ILE HB 123 ILE QD1 3.39 (#peak 3077)
&rst
ixpk= 3077, nxpk= 0, iat=1842, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1851,1852,1853,
&end
#
# 123 ILE HB 124 SER HN 3.84 (#peak 248)
&rst
ixpk= 248, nxpk= 0, iat=1842,1857, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 123 ILE HB 124 SER HA 4.65 (#peak 5394)
&rst
ixpk= 5394, nxpk= 0, iat=1842,1859, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 123 ILE HG12 124 SER HN 6.15 (#peak 253)
&rst
ixpk= 253, nxpk= 0, iat=1848,1857, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 123 ILE QD1 124 SER HN 4.92 (#peak 246)
&rst
ixpk= 246, nxpk= 0, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1851,1852,1853,
&end
#
# 123 ILE QG2 123 ILE HG12 3.52 (#peak 4041)
&rst
ixpk= 4041, nxpk= 0, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1844,1845,1846,
&end
#
# 123 ILE QG2 123 ILE HG13 3.34 (#peak 2105)
&rst
ixpk= 2105, nxpk= 0, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1844,1845,1846,
&end
#
# 123 ILE QG2 123 ILE QD1 3.19 (#peak 1578)
&rst
ixpk= 1578, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1844,1845,1846,
igr2=1851,1852,1853,
&end
#
# 123 ILE QG2 124 SER HN 4.90 (#peak 247)
&rst
ixpk= 247, nxpk= 0, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1844,1845,1846,
&end
#
# 124 SER HN 124 SER QB 3.54 (#peak 245)
&rst
ixpk= 245, nxpk= 0, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1861,1862,
&end
#
# 124 SER QB 125 ASN HN 6.15 (#peak 155)
&rst
ixpk= 155, nxpk= 0, iat= -1,1868, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1861,1862,
&end
#
# 125 ASN HN 126 ALA HN 6.10 (#peak 158)
&rst
ixpk= 158, nxpk= 0, iat=1868,1882, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 125 ASN HA 126 ALA HA 4.87 (#peak 5602)
&rst
ixpk= 5602, nxpk= 0, iat=1870,1884, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 125 ASN HA 126 ALA QB 5.13 (#peak 5652)
&rst
ixpk= 5652, nxpk= 0, iat=1870, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1886,1887,1888,
&end
#
# 125 ASN HA 127 LEU HN 5.73 (#peak 2497)
&rst
ixpk= 2497, nxpk= 0, iat=1870,1892, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 125 ASN HB2 126 ALA HN 4.54 (#peak 1163)
&rst
ixpk= 1163, nxpk= 0, iat=1872,1882, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 125 ASN HB3 126 ALA HN 5.33 (#peak 1162)
&rst
ixpk= 1162, nxpk= 0, iat=1873,1882, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 125 ASN HB3 126 ALA HA 5.70 (#peak 5395)
&rst
ixpk= 5395, nxpk= 0, iat=1873,1884, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 125 ASN HB3 126 ALA QB 5.63 (#peak 5396)
&rst
ixpk= 5396, nxpk= 0, iat=1873, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2=1886,1887,1888,
&end
#
# 125 ASN HB3 127 LEU HN 5.84 (#peak 2499)
&rst
ixpk= 2499, nxpk= 0, iat=1873,1892, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 126 ALA HN 126 ALA QB 3.32 (#peak 1165)
&rst
ixpk= 1165, nxpk= 0, iat=1882, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1886,1887,1888,
&end
#
# 126 ALA QB 127 LEU HN 5.82 (#peak 1500)
&rst
ixpk= 1500, nxpk= 0, iat= -1,1892, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1886,1887,1888,
&end
#
# 127 LEU HN 127 LEU HG 5.95 (#peak 1496)
&rst
ixpk= 1496, nxpk= 0, iat=1892,1899, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 127 LEU HN 127 LEU QD1 6.15 (#peak 1497)
&rst
ixpk= 1497, nxpk= 0, iat=1892, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1901,1902,1903,
&end
#
# 127 LEU HN 128 ASN HN 5.97 (#peak 1494)
&rst
ixpk= 1494, nxpk= 0, iat=1892,1911, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 127 LEU HA 127 LEU QD1 3.91 (#peak 1926)
&rst
ixpk= 1926, nxpk= 0, iat=1894, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1901,1902,1903,
&end
#
# 127 LEU HB2 127 LEU QD1 3.44 (#peak 1927)
&rst
ixpk= 1927, nxpk= 0, iat=1896, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1901,1902,1903,
&end
#
# 127 LEU HB2 128 ASN HN 5.73 (#peak 388)
&rst
ixpk= 388, nxpk= 0, iat=1896,1911, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 127 LEU HB3 127 LEU QD1 3.42 (#peak 1925)
&rst
ixpk= 1925, nxpk= 0, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1901,1902,1903,
&end
#
# 127 LEU HB3 128 ASN HN 5.75 (#peak 378)
&rst
ixpk= 378, nxpk= 0, iat=1897,1911, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 127 LEU HG 128 ASN HN 5.95 (#peak 379)
&rst
ixpk= 379, nxpk= 0, iat=1899,1911, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 127 LEU QD1 128 ASN HN 5.78 (#peak 380)
&rst
ixpk= 380, nxpk= 0, iat= -1,1911, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=1901,1902,1903,
&end
#
# 128 ASN HN 128 ASN HD22 6.09 (#peak 386)
&rst
ixpk= 386, nxpk= 0, iat=1911,1921, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 128 ASN HN 129 ALA HN 5.78 (#peak 844)
&rst
ixpk= 844, nxpk= 0, iat=1911,1925, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 128 ASN HA 128 ASN HD21 6.15 (#peak 593)
&rst
ixpk= 593, nxpk= 0, iat=1913,1920, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 128 ASN HA 129 ALA HN 3.54 (#peak 849)
&rst
ixpk= 849, nxpk= 0, iat=1913,1925, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 128 ASN HB2 129 ALA HN 4.50 (#peak 843)
&rst
ixpk= 843, nxpk= 0, iat=1915,1925, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 128 ASN HB2 129 ALA HA 6.15 (#peak 6453)
&rst
ixpk= 6453, nxpk= 0, iat=1915,1927, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 128 ASN HB3 129 ALA HN 4.62 (#peak 848)
&rst
ixpk= 848, nxpk= 0, iat=1916,1925, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 128 ASN HB3 129 ALA HA 6.15 (#peak 6454)
&rst
ixpk= 6454, nxpk= 0, iat=1916,1927, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 129 ALA QB 130 GLN HN 5.84 (#peak 333)
&rst
ixpk= 333, nxpk= 0, iat= -1,1935, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1929,1930,1931,
&end
#
# 129 ALA QB 130 GLN HA 5.42 (#peak 5603)
&rst
ixpk= 5603, nxpk= 0, iat= -1,1937, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1929,1930,1931,
&end
#
# 129 ALA QB 130 GLN HG3 5.60 (#peak 5651)
&rst
ixpk= 5651, nxpk= 0, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1929,1930,1931,
&end
#
# 129 ALA QB 131 GLN HA 4.81 (#peak 5650)
&rst
ixpk= 5650, nxpk= 0, iat= -1,1954, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1929,1930,1931,
&end
#
# 130 GLN HN 130 GLN HE22 6.15 (#peak 328)
&rst
ixpk= 328, nxpk= 0, iat=1935,1948, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 130 GLN HN 130 GLN HG2 5.92 (#peak 332)
&rst
ixpk= 332, nxpk= 0, iat=1935,1942, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 130 GLN HN 130 GLN HG3 6.15 (#peak 338)
&rst
ixpk= 338, nxpk= 0, iat=1935,1943, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 130 GLN HN 131 GLN HN 5.91 (#peak 331)
&rst
ixpk= 331, nxpk= 0, iat=1935,1952, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 130 GLN HA 130 GLN HE22 5.73 (#peak 206)
&rst
ixpk= 206, nxpk= 0, iat=1937,1948, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 130 GLN HA 130 GLN HG3 4.07 (#peak 357)
&rst
ixpk= 357, nxpk= 0, iat=1937,1943, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 130 GLN HA 131 GLN HA 6.15 (#peak 5628)
&rst
ixpk= 5628, nxpk= 0, iat=1937,1954, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 130 GLN HB2 130 GLN HE21 5.04 (#peak 1605)
&rst
ixpk= 1605, nxpk= 0, iat=1939,1947, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 130 GLN HB2 130 GLN HE22 5.34 (#peak 4140)
&rst
ixpk= 4140, nxpk= 0, iat=1939,1948, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 130 GLN HB2 131 GLN HN 5.92 (#peak 507)
&rst
ixpk= 507, nxpk= 0, iat=1939,1952, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 130 GLN HB3 130 GLN HE21 5.10 (#peak 1599)
&rst
ixpk= 1599, nxpk= 0, iat=1940,1947, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 130 GLN HB3 130 GLN HE22 5.79 (#peak 203)
&rst
ixpk= 203, nxpk= 0, iat=1940,1948, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 130 GLN HB3 130 GLN HG3 2.98 (#peak 670)
&rst
ixpk= 670, nxpk= 0, iat=1940,1943, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 131 GLN HN 131 GLN HE21 6.15 (#peak 508)
&rst
ixpk= 508, nxpk= 0, iat=1952,1964, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 131 GLN HN 131 GLN HE22 6.15 (#peak 500)
&rst
ixpk= 500, nxpk= 0, iat=1952,1965, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 131 GLN HN 131 GLN HG2 6.15 (#peak 502)
&rst
ixpk= 502, nxpk= 0, iat=1952,1959, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 131 GLN HN 131 GLN HG3 5.89 (#peak 505)
&rst
ixpk= 505, nxpk= 0, iat=1952,1960, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 131 GLN HN 132 TYR HN 6.11 (#peak 495)
&rst
ixpk= 495, nxpk= 0, iat=1952,1969, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 131 GLN HA 131 GLN HE21 5.71 (#peak 1922)
&rst
ixpk= 1922, nxpk= 0, iat=1954,1964, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 131 GLN HA 131 GLN HG3 4.13 (#peak 1228)
&rst
ixpk= 1228, nxpk= 0, iat=1954,1960, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 131 GLN HA 132 TYR HN 3.23 (#peak 269)
&rst
ixpk= 269, nxpk= 0, iat=1954,1969, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 131 GLN HB2 131 GLN HE21 4.93 (#peak 1929)
&rst
ixpk= 1929, nxpk= 0, iat=1956,1964, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 131 GLN HB2 131 GLN HE22 4.31 (#peak 577)
&rst
ixpk= 577, nxpk= 0, iat=1956,1965, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 131 GLN HB2 132 TYR HN 6.01 (#peak 281)
&rst
ixpk= 281, nxpk= 0, iat=1956,1969, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 131 GLN HB3 131 GLN HE21 4.54 (#peak 1926)
&rst
ixpk= 1926, nxpk= 0, iat=1957,1964, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 131 GLN HB3 131 GLN HE22 5.07 (#peak 574)
&rst
ixpk= 574, nxpk= 0, iat=1957,1965, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 131 GLN HB3 132 TYR HN 5.46 (#peak 279)
&rst
ixpk= 279, nxpk= 0, iat=1957,1969, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 131 GLN HG2 131 GLN HE21 3.94 (#peak 1925)
&rst
ixpk= 1925, nxpk= 0, iat=1959,1964, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 131 GLN HG2 131 GLN HE22 4.08 (#peak 573)
&rst
ixpk= 573, nxpk= 0, iat=1959,1965, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 131 GLN HG2 132 TYR HN 6.15 (#peak 274)
&rst
ixpk= 274, nxpk= 0, iat=1959,1969, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 131 GLN HG3 131 GLN HE21 3.85 (#peak 1927)
&rst
ixpk= 1927, nxpk= 0, iat=1960,1964, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 131 GLN HG3 132 TYR HN 6.15 (#peak 280)
&rst
ixpk= 280, nxpk= 0, iat=1960,1969, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 132 TYR HN 132 TYR QD 6.15 (#peak 276)
&rst
ixpk= 276, nxpk= 0, iat=1969, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1977,1986,
&end
#
# 132 TYR HN 133 LYS HN 6.11 (#peak 1533)
&rst
ixpk= 1533, nxpk= 0, iat=1969,1990, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 132 TYR HN 77 VAL O 2.4
&rst
ixpk= 1533, nxpk= 0, iat=1969,1161, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 132 TYR HA 133 LYS HA 5.55 (#peak 4914)
&rst
ixpk= 4914, nxpk= 0, iat=1971,1992, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 132 TYR HB2 133 LYS HN 6.15 (#peak 1535)
&rst
ixpk= 1535, nxpk= 0, iat=1973,1990, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 132 TYR HB2 133 LYS HA 5.97 (#peak 4913)
&rst
ixpk= 4913, nxpk= 0, iat=1973,1992, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 132 TYR HB3 133 LYS HN 6.15 (#peak 1541)
&rst
ixpk= 1541, nxpk= 0, iat=1974,1990, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 132 TYR HB3 133 LYS HA 5.73 (#peak 4912)
&rst
ixpk= 4912, nxpk= 0, iat=1974,1992, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 132 TYR N 77 VAL O 3.3
&rst
ixpk= 4912, nxpk= 0, iat=1968,1161, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 132 TYR QD 133 LYS HN 6.00 (#peak 1540)
&rst
ixpk= 1540, nxpk= 0, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1977,1986,
&end
#
# 133 LYS HN 133 LYS HG2 6.01 (#peak 1545)
&rst
ixpk= 1545, nxpk= 0, iat=1990,1997, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 133 LYS HN 133 LYS HG3 6.15 (#peak 1539)
&rst
ixpk= 1539, nxpk= 0, iat=1990,1998, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 133 LYS HN 133 LYS QD 6.10 (#peak 1544)
&rst
ixpk= 1544, nxpk= 0, iat=1990, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=2000,2001,
&end
#
# 133 LYS HN 134 VAL HN 6.01 (#peak 1534)
&rst
ixpk= 1534, nxpk= 0, iat=1990,2012, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 133 LYS HN 173 ASP HN 5.76 (#peak 2265)
&rst
ixpk= 2265, nxpk= 0, iat=1990,2643, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 133 LYS HN 173 ASP HA 6.15 (#peak 2414)
&rst
ixpk= 2414, nxpk= 0, iat=1990,2645, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 133 LYS HA 133 LYS QD 4.81 (#peak 2330)
&rst
ixpk= 2330, nxpk= 0, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2000,2001,
&end
#
# 133 LYS HB2 134 VAL HN 6.15 (#peak 427)
&rst
ixpk= 427, nxpk= 0, iat=1994,2012, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 133 LYS HB2 173 ASP HA 5.13 (#peak 6126)
&rst
ixpk= 6126, nxpk= 0, iat=1994,2645, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 133 LYS HB3 133 LYS QD 4.00 (#peak 490)
&rst
ixpk= 490, nxpk= 0, iat=1995, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2000,2001,
&end
#
# 133 LYS HB3 134 VAL HN 5.94 (#peak 428)
&rst
ixpk= 428, nxpk= 0, iat=1995,2012, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 133 LYS HB3 173 ASP HN 5.10 (#peak 2264)
&rst
ixpk= 2264, nxpk= 0, iat=1995,2643, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 133 LYS HB3 173 ASP HA 4.31 (#peak 6125)
&rst
ixpk= 6125, nxpk= 0, iat=1995,2645, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 133 LYS HG2 133 LYS QD 2.99 (#peak 550)
&rst
ixpk= 550, nxpk= 0, iat=1997, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2000,2001,
&end
#
# 133 LYS HG2 134 VAL HN 5.76 (#peak 436)
&rst
ixpk= 436, nxpk= 0, iat=1997,2012, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 133 LYS HG3 134 VAL HN 6.00 (#peak 431)
&rst
ixpk= 431, nxpk= 0, iat=1998,2012, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 134 VAL HN 134 VAL QG1 6.07 (#peak 426)
&rst
ixpk= 426, nxpk= 0, iat=2012, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr2=2018,2019,2020,
&end
#
# 134 VAL HN 134 VAL QG2 5.90 (#peak 432)
&rst
ixpk= 432, nxpk= 0, iat=2012, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=2022,2023,2024,
&end
#
# 134 VAL HN 135 LEU HN 6.09 (#peak 365)
&rst
ixpk= 365, nxpk= 0, iat=2012,2028, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 134 VAL HN 172 VAL HA 6.15 (#peak 435)
&rst
ixpk= 435, nxpk= 0, iat=2012,2629, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 134 VAL HN 75 CYS O 2.4
&rst
ixpk= 435, nxpk= 0, iat=2012,1123, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 134 VAL HA 134 VAL QG2 4.12 (#peak 4333)
&rst
ixpk= 4333, nxpk= 0, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=2022,2023,2024,
&end
#
# 134 VAL HA 172 VAL QG2 6.00 (#peak 4926)
&rst
ixpk= 4926, nxpk= 0, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2637,2638,2639,
&end
#
# 134 VAL HA 173 ASP HN 4.72 (#peak 540)
&rst
ixpk= 540, nxpk= 0, iat=2014,2643, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 134 VAL N 75 CYS O 3.3
&rst
ixpk= 540, nxpk= 0, iat=2011,1123, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 134 VAL QG1 135 LEU HN 6.15 (#peak 367)
&rst
ixpk= 367, nxpk= 0, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=2018,2019,2020,
&end
#
# 134 VAL QG1 172 VAL QG1 5.68 (#peak 4931)
&rst
ixpk= 4931, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=2018,2019,2020,
igr2=2633,2634,2635,
&end
#
# 134 VAL QG1 172 VAL QG2 5.99 (#peak 4927)
&rst
ixpk= 4927, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=2018,2019,2020,
igr2=2637,2638,2639,
&end
#
# 134 VAL QG2 135 LEU HN 6.15 (#peak 370)
&rst
ixpk= 370, nxpk= 0, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=2022,2023,2024,
&end
#
# 134 VAL QG2 171 ALA HN 6.15 (#peak 2300)
&rst
ixpk= 2300, nxpk= 0, iat= -1,2617, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=2022,2023,2024,
&end
#
# 134 VAL QG2 172 VAL QG1 5.74 (#peak 4930)
&rst
ixpk= 4930, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
igr1=2022,2023,2024,
igr2=2633,2634,2635,
&end
#
# 135 LEU HN 135 LEU HG 5.96 (#peak 369)
&rst
ixpk= 369, nxpk= 0, iat=2028,2035, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 135 LEU HN 135 LEU QD1 5.85 (#peak 375)
&rst
ixpk= 375, nxpk= 0, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2=2037,2038,2039,
&end
#
# 135 LEU HN 135 LEU QD2 5.81 (#peak 374)
&rst
ixpk= 374, nxpk= 0, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2=2041,2042,2043,
&end
#
# 135 LEU HN 171 ALA O 2.4
&rst
ixpk= 374, nxpk= 0, iat=2028,2625, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 135 LEU HN 171 ALA QB 4.40 (#peak 2259)
&rst
ixpk= 2259, nxpk= 0, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2621,2622,2623,
&end
#
# 135 LEU HN 172 VAL HA 5.38 (#peak 372)
&rst
ixpk= 372, nxpk= 0, iat=2028,2629, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 135 LEU HA 135 LEU QD1 4.19 (#peak 3392)
&rst
ixpk= 3392, nxpk= 0, iat=2030, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=2037,2038,2039,
&end
#
# 135 LEU HA 135 LEU QD2 6.08 (#peak 3395)
&rst
ixpk= 3395, nxpk= 0, iat=2030, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=2041,2042,2043,
&end
#
# 135 LEU HB2 136 ILE HN 6.15 (#peak 2407)
&rst
ixpk= 2407, nxpk= 0, iat=2032,2047, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 135 LEU HB2 171 ALA HN 5.90 (#peak 2302)
&rst
ixpk= 2302, nxpk= 0, iat=2032,2617, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 135 LEU HB2 171 ALA QB 6.09 (#peak 4938)
&rst
ixpk= 4938, nxpk= 0, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr2=2621,2622,2623,
&end
#
# 135 LEU HB3 135 LEU QD1 3.93 (#peak 3880)
&rst
ixpk= 3880, nxpk= 0, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2037,2038,2039,
&end
#
# 135 LEU HB3 135 LEU QD2 3.49 (#peak 2126)
&rst
ixpk= 2126, nxpk= 0, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=2041,2042,2043,
&end
#
# 135 LEU HB3 136 ILE HA 4.63 (#peak 4868)
&rst
ixpk= 4868, nxpk= 0, iat=2033,2049, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 135 LEU HB3 142 MET QE 4.10 (#peak 5852)
&rst
ixpk= 5852, nxpk= 0, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=2161,2162,2163,
&end
#
# 135 LEU HG 136 ILE HN 6.15 (#peak 2406)
&rst
ixpk= 2406, nxpk= 0, iat=2035,2047, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 135 LEU N 171 ALA O 3.3
&rst
ixpk= 2406, nxpk= 0, iat=2027,2625, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 135 LEU QD1 141 TRP HH2 4.76 (#peak 9226)
&rst
ixpk= 9226, nxpk= 0, iat= -1,2141, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=2037,2038,2039,
&end
#
# 135 LEU QD1 141 TRP HZ2 6.15 (#peak 6544)
&rst
ixpk= 6544, nxpk= 0, iat= -1,2139, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=2037,2038,2039,
&end
#
# 135 LEU QD1 142 MET QE 3.58 (#peak 6396)
&rst
ixpk= 6396, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=2037,2038,2039,
igr2=2161,2162,2163,
&end
#
# 135 LEU QD1 145 ASN HB2 6.06 (#peak 5830)
&rst
ixpk= 5830, nxpk= 0, iat= -1,2214, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2037,2038,2039,
&end
#
# 135 LEU QD1 145 ASN HB3 6.01 (#peak 5831)
&rst
ixpk= 5831, nxpk= 0, iat= -1,2215, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1=2037,2038,2039,
&end
#
# 135 LEU QD1 145 ASN HD21 4.01 (#peak 6009)
&rst
ixpk= 6009, nxpk= 0, iat= -1,2219, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=2037,2038,2039,
&end
#
# 135 LEU QD1 145 ASN HD22 5.29 (#peak 6008)
&rst
ixpk= 6008, nxpk= 0, iat= -1,2220, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=2037,2038,2039,
&end
#
# 135 LEU QD1 171 ALA QB 5.60 (#peak 4936)
&rst
ixpk= 4936, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
igr1=2037,2038,2039,
igr2=2621,2622,2623,
&end
#
# 135 LEU QD2 136 ILE HN 6.15 (#peak 2408)
&rst
ixpk= 2408, nxpk= 0, iat= -1,2047, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=2041,2042,2043,
&end
#
# 135 LEU QD2 142 MET QE 3.96 (#peak 6397)
&rst
ixpk= 6397, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=2041,2042,2043,
igr2=2161,2162,2163,
&end
#
# 135 LEU QD2 145 ASN HB2 5.11 (#peak 5828)
&rst
ixpk= 5828, nxpk= 0, iat= -1,2214, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=2041,2042,2043,
&end
#
# 135 LEU QD2 145 ASN HB3 5.03 (#peak 5829)
&rst
ixpk= 5829, nxpk= 0, iat= -1,2215, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=2041,2042,2043,
&end
#
# 135 LEU QD2 145 ASN HD21 4.83 (#peak 6011)
&rst
ixpk= 6011, nxpk= 0, iat= -1,2219, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=2041,2042,2043,
&end
#
# 135 LEU QD2 145 ASN HD22 5.03 (#peak 6010)
&rst
ixpk= 6010, nxpk= 0, iat= -1,2220, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=2041,2042,2043,
&end
#
# 135 LEU QD2 147 LEU QD1 3.88 (#peak 6479)
&rst
ixpk= 6479, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2041,2042,2043,
igr2=2240,2241,2242,
&end
#
# 135 LEU QD2 171 ALA QB 6.14 (#peak 4935)
&rst
ixpk= 4935, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.86, r4= 9.36,
igr1=2041,2042,2043,
igr2=2621,2622,2623,
&end
#
# 136 ILE HN 136 ILE QD1 5.95 (#peak 1421)
&rst
ixpk= 1421, nxpk= 0, iat=2047, -1, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr2=2060,2061,2062,
&end
#
# 136 ILE HA 136 ILE QD1 4.51 (#peak 2926)
&rst
ixpk= 2926, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2060,2061,2062,
&end
#
# 136 ILE HA 137 GLY HA3 6.15 (#peak 4866)
&rst
ixpk= 4866, nxpk= 0, iat=2049,2069, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 136 ILE HA 142 MET QE 3.23 (#peak 6015)
&rst
ixpk= 6015, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=2161,2162,2163,
&end
#
# 136 ILE HA 168 VAL QG2 5.84 (#peak 4943)
&rst
ixpk= 4943, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2=2576,2577,2578,
&end
#
# 136 ILE HA 170 VAL QG1 4.91 (#peak 6519)
&rst
ixpk= 6519, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2607,2608,2609,
&end
#
# 136 ILE HA 170 VAL QG2 5.44 (#peak 6520)
&rst
ixpk= 6520, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=2611,2612,2613,
&end
#
# 136 ILE HB 136 ILE QD1 3.81 (#peak 1300)
&rst
ixpk= 1300, nxpk= 0, iat=2051, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=2060,2061,2062,
&end
#
# 136 ILE HB 137 GLY HN 6.13 (#peak 43)
&rst
ixpk= 43, nxpk= 0, iat=2051,2066, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 136 ILE HB 170 VAL QG2 6.05 (#peak 4947)
&rst
ixpk= 4947, nxpk= 0, iat=2051, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=2611,2612,2613,
&end
#
# 136 ILE QD1 137 GLY HN 6.15 (#peak 2421)
&rst
ixpk= 2421, nxpk= 0, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=2060,2061,2062,
&end
#
# 136 ILE QD1 168 VAL QG2 5.51 (#peak 4940)
&rst
ixpk= 4940, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr1=2060,2061,2062,
igr2=2576,2577,2578,
&end
#
# 136 ILE QD1 170 VAL QG1 5.79 (#peak 4945)
&rst
ixpk= 4945, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,
igr1=2060,2061,2062,
igr2=2607,2608,2609,
&end
#
# 136 ILE QG2 137 GLY HA2 5.74 (#peak 6017)
&rst
ixpk= 6017, nxpk= 0, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=2053,2054,2055,
&end
#
# 136 ILE QG2 137 GLY HA3 6.09 (#peak 6018)
&rst
ixpk= 6018, nxpk= 0, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1=2053,2054,2055,
&end
#
# 136 ILE QG2 168 VAL QG2 5.60 (#peak 4944)
&rst
ixpk= 4944, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
igr1=2053,2054,2055,
igr2=2576,2577,2578,
&end
#
# 137 GLY HN 142 MET QE 3.52 (#peak 4373)
&rst
ixpk= 4373, nxpk= 0, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=2161,2162,2163,
&end
#
# 137 GLY HN 169 LEU HN 5.95 (#peak 1969)
&rst
ixpk= 1969, nxpk= 0, iat=2066,2582, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 137 GLY HN 169 LEU HB2 6.15 (#peak 2488)
&rst
ixpk= 2488, nxpk= 0, iat=2066,2586, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 137 GLY HN 169 LEU HB3 5.77 (#peak 2254)
&rst
ixpk= 2254, nxpk= 0, iat=2066,2587, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 137 GLY HN 169 LEU O 2.4
&rst
ixpk= 2254, nxpk= 0, iat=2066,2599, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 137 GLY HN 169 LEU QD1 6.15 (#peak 2255)
&rst
ixpk= 2255, nxpk= 0, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2591,2592,2593,
&end
#
# 137 GLY HN 170 VAL HA 6.10 (#peak 47)
&rst
ixpk= 47, nxpk= 0, iat=2066,2603, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 137 GLY HA3 168 VAL QG2 5.87 (#peak 4948)
&rst
ixpk= 4948, nxpk= 0, iat=2069, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2=2576,2577,2578,
&end
#
# 137 GLY N 169 LEU O 3.3
&rst
ixpk= 4948, nxpk= 0, iat=2065,2599, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 138 ASN HN 139 ARG HN 5.78 (#peak 1369)
&rst
ixpk= 1369, nxpk= 0, iat=2073,2087, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 138 ASN HA 168 VAL HA 6.15 (#peak 4513)
&rst
ixpk= 4513, nxpk= 0, iat=2075,2568, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 138 ASN HB3 139 ARG HN 4.42 (#peak 1365)
&rst
ixpk= 1365, nxpk= 0, iat=2078,2087, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 139 ARG HN 139 ARG QB 3.49 (#peak 1372)
&rst
ixpk= 1372, nxpk= 0, iat=2087, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=2091,2092,
&end
#
# 139 ARG HA 142 MET HG2 6.15 (#peak 6500)
&rst
ixpk= 6500, nxpk= 0, iat=2089,2157, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 139 ARG HA 142 MET HG3 6.15 (#peak 6501)
&rst
ixpk= 6501, nxpk= 0, iat=2089,2158, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 139 ARG HA 142 MET QB 6.15 (#peak 6499)
&rst
ixpk= 6499, nxpk= 0, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=2154,2155,
&end
#
# 139 ARG HA 169 LEU HB2 5.32 (#peak 5797)
&rst
ixpk= 5797, nxpk= 0, iat=2089,2586, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 139 ARG HA 169 LEU HB3 5.42 (#peak 5795)
&rst
ixpk= 5795, nxpk= 0, iat=2089,2587, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 139 ARG HA 169 LEU HG 4.61 (#peak 4604)
&rst
ixpk= 4604, nxpk= 0, iat=2089,2589, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 139 ARG HA 169 LEU QD1 5.09 (#peak 5796)
&rst
ixpk= 5796, nxpk= 0, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2591,2592,2593,
&end
#
# 139 ARG HA 169 LEU QD2 4.67 (#peak 4602)
&rst
ixpk= 4602, nxpk= 0, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2595,2596,2597,
&end
#
# 139 ARG QB 140 GLU HA 5.94 (#peak 4824)
&rst
ixpk= 4824, nxpk= 0, iat= -1,2113, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=2091,2092,
&end
#
# 139 ARG QB 157 MET HB2 5.28 (#peak 5848)
&rst
ixpk= 5848, nxpk= 0, iat= -1,2391, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=2091,2092,
&end
#
# 140 GLU HN 140 GLU HG2 6.15 (#peak 2161)
&rst
ixpk= 2161, nxpk= 0, iat=2111,2118, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 140 GLU HN 140 GLU HG3 6.00 (#peak 2158)
&rst
ixpk= 2158, nxpk= 0, iat=2111,2119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 140 GLU HN 141 TRP HN 6.10 (#peak 2162)
&rst
ixpk= 2162, nxpk= 0, iat=2111,2126, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 140 GLU HA 141 TRP HA 6.15 (#peak 6276)
&rst
ixpk= 6276, nxpk= 0, iat=2113,2128, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 140 GLU HA 143 ILE QD1 4.21 (#peak 5708)
&rst
ixpk= 5708, nxpk= 0, iat=2113, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=2180,2181,2182,
&end
#
# 140 GLU HB2 141 TRP HN 6.15 (#peak 1463)
&rst
ixpk= 1463, nxpk= 0, iat=2115,2126, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 140 GLU HB2 143 ILE QD1 5.80 (#peak 5709)
&rst
ixpk= 5709, nxpk= 0, iat=2115, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2180,2181,2182,
&end
#
# 140 GLU HB3 141 TRP HN 6.03 (#peak 1466)
&rst
ixpk= 1466, nxpk= 0, iat=2116,2126, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 140 GLU HB3 141 TRP HA 6.15 (#peak 4825)
&rst
ixpk= 4825, nxpk= 0, iat=2116,2128, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 140 GLU HB3 143 ILE QD1 5.18 (#peak 5710)
&rst
ixpk= 5710, nxpk= 0, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=2180,2181,2182,
&end
#
# 140 GLU HG3 143 ILE QD1 5.27 (#peak 5726)
&rst
ixpk= 5726, nxpk= 0, iat=2119, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=2180,2181,2182,
&end
#
# 141 TRP HA 144 ARG HA 6.13 (#peak 5748)
&rst
ixpk= 5748, nxpk= 0, iat=2128,2188, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 141 TRP HA 144 ARG HB2 4.14 (#peak 4819)
&rst
ixpk= 4819, nxpk= 0, iat=2128,2190, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 141 TRP HA 144 ARG HB3 4.13 (#peak 5751)
&rst
ixpk= 5751, nxpk= 0, iat=2128,2191, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 141 TRP HA 144 ARG HG2 5.48 (#peak 5749)
&rst
ixpk= 5749, nxpk= 0, iat=2128,2193, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 141 TRP HA 144 ARG HG3 4.66 (#peak 5670)
&rst
ixpk= 5670, nxpk= 0, iat=2128,2194, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 142 MET HG2 142 MET QE 4.23 (#peak 5695)
&rst
ixpk= 5695, nxpk= 0, iat=2157, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2161,2162,2163,
&end
#
# 142 MET HG2 176 LEU QD2 5.90 (#peak 5853)
&rst
ixpk= 5853, nxpk= 0, iat=2157, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=2695,2696,2697,
&end
#
# 142 MET HG3 142 MET QE 4.56 (#peak 5694)
&rst
ixpk= 5694, nxpk= 0, iat=2158, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2161,2162,2163,
&end
#
# 142 MET HG3 176 LEU QD2 5.65 (#peak 5854)
&rst
ixpk= 5854, nxpk= 0, iat=2158, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=2695,2696,2697,
&end
#
# 142 MET QB 142 MET QE 4.41 (#peak 5693)
&rst
ixpk= 5693, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2154,2155,
igr2=2161,2162,2163,
&end
#
# 142 MET QE 145 ASN HB2 4.69 (#peak 5721)
&rst
ixpk= 5721, nxpk= 0, iat= -1,2214, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=2161,2162,2163,
&end
#
# 142 MET QE 147 LEU HG 5.93 (#peak 5096)
&rst
ixpk= 5096, nxpk= 0, iat= -1,2238, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1=2161,2162,2163,
&end
#
# 142 MET QE 147 LEU QD1 5.55 (#peak 5098)
&rst
ixpk= 5098, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1=2161,2162,2163,
igr2=2240,2241,2242,
&end
#
# 142 MET QE 147 LEU QD2 5.22 (#peak 5099)
&rst
ixpk= 5099, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1=2161,2162,2163,
igr2=2244,2245,2246,
&end
#
# 142 MET QE 169 LEU QD2 3.91 (#peak 6425)
&rst
ixpk= 6425, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=2161,2162,2163,
igr2=2595,2596,2597,
&end
#
# 142 MET QE 170 VAL HA 4.27 (#peak 6057)
&rst
ixpk= 6057, nxpk= 0, iat= -1,2603, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=2161,2162,2163,
&end
#
# 142 MET QE 171 ALA HN 5.58 (#peak 2702)
&rst
ixpk= 2702, nxpk= 0, iat= -1,2617, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=2161,2162,2163,
&end
#
# 142 MET QE 171 ALA HA 4.54 (#peak 4525)
&rst
ixpk= 4525, nxpk= 0, iat= -1,2619, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=2161,2162,2163,
&end
#
# 142 MET QE 171 ALA QB 3.17 (#peak 4527)
&rst
ixpk= 4527, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=2161,2162,2163,
igr2=2621,2622,2623,
&end
#
# 144 ARG HN 144 ARG HG2 5.84 (#peak 761)
&rst
ixpk= 761, nxpk= 0, iat=2186,2193, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 144 ARG HN 144 ARG HG3 5.83 (#peak 755)
&rst
ixpk= 755, nxpk= 0, iat=2186,2194, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 144 ARG HN 145 ASN HN 5.76 (#peak 1914)
&rst
ixpk= 1914, nxpk= 0, iat=2186,2210, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 144 ARG HN 146 GLY HN 5.82 (#peak 768)
&rst
ixpk= 768, nxpk= 0, iat=2186,2224, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 144 ARG HA 144 ARG HG2 4.20 (#peak 1958)
&rst
ixpk= 1958, nxpk= 0, iat=2188,2193, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 144 ARG HA 144 ARG HG3 4.04 (#peak 1347)
&rst
ixpk= 1347, nxpk= 0, iat=2188,2194, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 144 ARG HA 144 ARG QD 4.56 (#peak 3743)
&rst
ixpk= 3743, nxpk= 0, iat=2188, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2196,2197,
&end
#
# 144 ARG HA 145 ASN HA 5.66 (#peak 4828)
&rst
ixpk= 4828, nxpk= 0, iat=2188,2212, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 144 ARG HB2 144 ARG HG2 3.01 (#peak 1964)
&rst
ixpk= 1964, nxpk= 0, iat=2190,2193, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 144 ARG HB2 144 ARG QD 3.59 (#peak 3748)
&rst
ixpk= 3748, nxpk= 0, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=2196,2197,
&end
#
# 144 ARG HB2 145 ASN HN 4.32 (#peak 1916)
&rst
ixpk= 1916, nxpk= 0, iat=2190,2210, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 144 ARG HB3 144 ARG QD 3.39 (#peak 3742)
&rst
ixpk= 3742, nxpk= 0, iat=2191, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=2196,2197,
&end
#
# 144 ARG HB3 145 ASN HN 4.35 (#peak 1919)
&rst
ixpk= 1919, nxpk= 0, iat=2191,2210, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 144 ARG HB3 145 ASN HA 5.84 (#peak 4811)
&rst
ixpk= 4811, nxpk= 0, iat=2191,2212, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 144 ARG HB3 146 GLY HN 6.15 (#peak 2396)
&rst
ixpk= 2396, nxpk= 0, iat=2191,2224, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 144 ARG HG2 144 ARG QD 3.00 (#peak 3744)
&rst
ixpk= 3744, nxpk= 0, iat=2193, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2196,2197,
&end
#
# 144 ARG HG2 145 ASN HN 5.51 (#peak 1920)
&rst
ixpk= 1920, nxpk= 0, iat=2193,2210, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 144 ARG HG3 145 ASN HN 5.49 (#peak 1913)
&rst
ixpk= 1913, nxpk= 0, iat=2194,2210, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 144 ARG QD 145 ASN HN 4.49 (#peak 6277)
&rst
ixpk= 6277, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2196,2197,
&end
#
# 145 ASN HN 146 GLY HN 6.03 (#peak 773)
&rst
ixpk= 773, nxpk= 0, iat=2210,2224, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 145 ASN HN 147 LEU HN 6.15 (#peak 989)
&rst
ixpk= 989, nxpk= 0, iat=2210,2231, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 145 ASN HA 145 ASN HD21 4.73 (#peak 6005)
&rst
ixpk= 6005, nxpk= 0, iat=2212,2219, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 145 ASN HA 145 ASN HD22 4.89 (#peak 6004)
&rst
ixpk= 6004, nxpk= 0, iat=2212,2220, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 145 ASN HA 146 GLY HA2 5.78 (#peak 4812)
&rst
ixpk= 4812, nxpk= 0, iat=2212,2226, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 145 ASN HB2 146 GLY HN 6.08 (#peak 2393)
&rst
ixpk= 2393, nxpk= 0, iat=2214,2224, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 145 ASN HB2 147 LEU HN 4.67 (#peak 2390)
&rst
ixpk= 2390, nxpk= 0, iat=2214,2231, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 145 ASN HB2 147 LEU QD1 6.15 (#peak 6489)
&rst
ixpk= 6489, nxpk= 0, iat=2214, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2240,2241,2242,
&end
#
# 145 ASN HB2 171 ALA QB 5.51 (#peak 6132)
&rst
ixpk= 6132, nxpk= 0, iat=2214, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=2621,2622,2623,
&end
#
# 145 ASN HB3 146 GLY HN 5.73 (#peak 771)
&rst
ixpk= 771, nxpk= 0, iat=2215,2224, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 145 ASN HB3 146 GLY HA2 6.15 (#peak 4823)
&rst
ixpk= 4823, nxpk= 0, iat=2215,2226, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 145 ASN HB3 147 LEU HN 5.20 (#peak 2391)
&rst
ixpk= 2391, nxpk= 0, iat=2215,2231, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 145 ASN HB3 147 LEU QD1 5.57 (#peak 6492)
&rst
ixpk= 6492, nxpk= 0, iat=2215, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2=2240,2241,2242,
&end
#
# 145 ASN HB3 147 LEU QD2 5.81 (#peak 6491)
&rst
ixpk= 6491, nxpk= 0, iat=2215, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2=2244,2245,2246,
&end
#
# 145 ASN HD21 147 LEU QD2 5.17 (#peak 6538)
&rst
ixpk= 6538, nxpk= 0, iat=2219, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=2244,2245,2246,
&end
#
# 146 GLY HN 147 LEU HG 5.47 (#peak 2386)
&rst
ixpk= 2386, nxpk= 0, iat=2224,2238, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 146 GLY HN 147 LEU QB 5.32 (#peak 2387)
&rst
ixpk= 2387, nxpk= 0, iat=2224, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2235,2236,
&end
#
# 146 GLY HN 147 LEU QD1 5.49 (#peak 2389)
&rst
ixpk= 2389, nxpk= 0, iat=2224, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=2240,2241,2242,
&end
#
# 146 GLY HA2 147 LEU HA 5.66 (#peak 5496)
&rst
ixpk= 5496, nxpk= 0, iat=2226,2233, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 147 LEU HN 147 LEU HG 4.04 (#peak 987)
&rst
ixpk= 987, nxpk= 0, iat=2231,2238, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 147 LEU HN 147 LEU QB 3.91 (#peak 981)
&rst
ixpk= 981, nxpk= 0, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=2235,2236,
&end
#
# 147 LEU HN 147 LEU QD1 4.37 (#peak 986)
&rst
ixpk= 986, nxpk= 0, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=2240,2241,2242,
&end
#
# 147 LEU HN 147 LEU QD2 4.31 (#peak 984)
&rst
ixpk= 984, nxpk= 0, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=2244,2245,2246,
&end
#
# 147 LEU HA 147 LEU HG 3.90 (#peak 444)
&rst
ixpk= 444, nxpk= 0, iat=2233,2238, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 147 LEU HA 147 LEU QD1 4.46 (#peak 449)
&rst
ixpk= 449, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=2240,2241,2242,
&end
#
# 147 LEU HA 147 LEU QD2 4.08 (#peak 4355)
&rst
ixpk= 4355, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=2244,2245,2246,
&end
#
# 147 LEU HA 148 VAL QG1 4.50 (#peak 6141)
&rst
ixpk= 6141, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2256,2257,2258,
&end
#
# 147 LEU HA 148 VAL QG2 6.05 (#peak 5500)
&rst
ixpk= 5500, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=2260,2261,2262,
&end
#
# 147 LEU HA 174 ASP QB 6.04 (#peak 6392)
&rst
ixpk= 6392, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr2=2659,2660,
&end
#
# 147 LEU HG 148 VAL HN 6.15 (#peak 358)
&rst
ixpk= 358, nxpk= 0, iat=2238,2250, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 147 LEU QB 147 LEU QD1 3.63 (#peak 3971)
&rst
ixpk= 3971, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=2235,2236,
igr2=2240,2241,2242,
&end
#
# 147 LEU QB 147 LEU QD2 3.22 (#peak 4356)
&rst
ixpk= 4356, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=2235,2236,
igr2=2244,2245,2246,
&end
#
# 147 LEU QB 148 VAL HN 6.15 (#peak 350)
&rst
ixpk= 350, nxpk= 0, iat= -1,2250, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=2235,2236,
&end
#
# 147 LEU QD1 148 VAL HN 6.15 (#peak 357)
&rst
ixpk= 357, nxpk= 0, iat= -1,2250, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=2240,2241,2242,
&end
#
# 147 LEU QD1 171 ALA HA 5.45 (#peak 6540)
&rst
ixpk= 6540, nxpk= 0, iat= -1,2619, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=2240,2241,2242,
&end
#
# 147 LEU QD1 172 VAL HN 5.39 (#peak 6483)
&rst
ixpk= 6483, nxpk= 0, iat= -1,2627, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2240,2241,2242,
&end
#
# 147 LEU QD1 174 ASP HA 3.96 (#peak 6142)
&rst
ixpk= 6142, nxpk= 0, iat= -1,2657, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2240,2241,2242,
&end
#
# 147 LEU QD1 176 LEU HN 4.86 (#peak 6484)
&rst
ixpk= 6484, nxpk= 0, iat= -1,2682, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=2240,2241,2242,
&end
#
# 147 LEU QD2 148 VAL HN 6.15 (#peak 355)
&rst
ixpk= 355, nxpk= 0, iat= -1,2250, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=2244,2245,2246,
&end
#
# 147 LEU QD2 171 ALA QB 3.91 (#peak 6353)
&rst
ixpk= 6353, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=2244,2245,2246,
igr2=2621,2622,2623,
&end
#
# 147 LEU QD2 172 VAL HN 5.03 (#peak 6485)
&rst
ixpk= 6485, nxpk= 0, iat= -1,2627, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=2244,2245,2246,
&end
#
# 147 LEU QD2 174 ASP HA 3.59 (#peak 6539)
&rst
ixpk= 6539, nxpk= 0, iat= -1,2657, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=2244,2245,2246,
&end
#
# 147 LEU QD2 174 ASP QB 4.37 (#peak 5969)
&rst
ixpk= 5969, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=2244,2245,2246,
igr2=2659,2660,
&end
#
# 147 LEU QD2 175 GLU HN 4.27 (#peak 2706)
&rst
ixpk= 2706, nxpk= 0, iat= -1,2667, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=2244,2245,2246,
&end
#
# 147 LEU QD2 176 LEU HN 4.18 (#peak 6486)
&rst
ixpk= 6486, nxpk= 0, iat= -1,2682, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=2244,2245,2246,
&end
#
# 148 VAL HN 148 VAL QG1 6.15 (#peak 362)
&rst
ixpk= 362, nxpk= 0, iat=2250, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2256,2257,2258,
&end
#
# 148 VAL HN 148 VAL QG2 6.15 (#peak 351)
&rst
ixpk= 351, nxpk= 0, iat=2250, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2260,2261,2262,
&end
#
# 148 VAL HN 149 ILE HN 5.79 (#peak 1171)
&rst
ixpk= 1171, nxpk= 0, iat=2250,2266, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 148 VAL HA 148 VAL QG1 3.78 (#peak 866)
&rst
ixpk= 866, nxpk= 0, iat=2252, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=2256,2257,2258,
&end
#
# 148 VAL HA 148 VAL QG2 3.59 (#peak 1198)
&rst
ixpk= 1198, nxpk= 0, iat=2252, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=2260,2261,2262,
&end
#
# 148 VAL HB 149 ILE HN 5.89 (#peak 1174)
&rst
ixpk= 1174, nxpk= 0, iat=2254,2266, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 148 VAL QG1 149 ILE HN 5.95 (#peak 1182)
&rst
ixpk= 1182, nxpk= 0, iat= -1,2266, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr1=2256,2257,2258,
&end
#
# 148 VAL QG1 150 ASN HA 5.18 (#peak 5963)
&rst
ixpk= 5963, nxpk= 0, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2256,2257,2258,
&end
#
# 148 VAL QG2 149 ILE HN 6.01 (#peak 1173)
&rst
ixpk= 1173, nxpk= 0, iat= -1,2266, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1=2260,2261,2262,
&end
#
# 149 ILE HN 149 ILE HG12 6.15 (#peak 1179)
&rst
ixpk= 1179, nxpk= 0, iat=2266,2276, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 149 ILE HN 149 ILE HG13 6.15 (#peak 1175)
&rst
ixpk= 1175, nxpk= 0, iat=2266,2277, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 149 ILE HN 149 ILE QD1 5.75 (#peak 1170)
&rst
ixpk= 1170, nxpk= 0, iat=2266, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=2279,2280,2281,
&end
#
# 149 ILE HN 149 ILE QG2 5.99 (#peak 1181)
&rst
ixpk= 1181, nxpk= 0, iat=2266, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=2272,2273,2274,
&end
#
# 149 ILE HN 150 ASN HN 6.00 (#peak 1172)
&rst
ixpk= 1172, nxpk= 0, iat=2266,2285, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 149 ILE HA 149 ILE QD1 3.99 (#peak 1007)
&rst
ixpk= 1007, nxpk= 0, iat=2268, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=2279,2280,2281,
&end
#
# 149 ILE HA 149 ILE QG2 4.16 (#peak 1002)
&rst
ixpk= 1002, nxpk= 0, iat=2268, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=2272,2273,2274,
&end
#
# 149 ILE HA 150 ASN HN 3.10 (#peak 413)
&rst
ixpk= 413, nxpk= 0, iat=2268,2285, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 149 ILE HA 150 ASN HA 4.92 (#peak 5968)
&rst
ixpk= 5968, nxpk= 0, iat=2268,2287, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 149 ILE HA 176 LEU QD1 4.40 (#peak 6320)
&rst
ixpk= 6320, nxpk= 0, iat=2268, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2691,2692,2693,
&end
#
# 149 ILE HB 149 ILE QD1 3.31 (#peak 3335)
&rst
ixpk= 3335, nxpk= 0, iat=2270, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=2279,2280,2281,
&end
#
# 149 ILE HB 150 ASN HN 5.91 (#peak 407)
&rst
ixpk= 407, nxpk= 0, iat=2270,2285, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 149 ILE HG12 150 ASN HN 5.95 (#peak 418)
&rst
ixpk= 418, nxpk= 0, iat=2276,2285, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 149 ILE HG13 150 ASN HN 5.75 (#peak 2644)
&rst
ixpk= 2644, nxpk= 0, iat=2277,2285, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 149 ILE HG13 150 ASN HD21 6.15 (#peak 2750)
&rst
ixpk= 2750, nxpk= 0, iat=2277,2294, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 149 ILE QD1 153 VAL QG1 4.32 (#peak 5847)
&rst
ixpk= 5847, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=2279,2280,2281,
igr2=2331,2332,2333,
&end
#
# 149 ILE QD1 153 VAL QG2 4.02 (#peak 5707)
&rst
ixpk= 5707, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=2279,2280,2281,
igr2=2335,2336,2337,
&end
#
# 149 ILE QD1 154 ASN HA 4.82 (#peak 5975)
&rst
ixpk= 5975, nxpk= 0, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=2279,2280,2281,
&end
#
# 149 ILE QD1 157 MET QE 3.61 (#peak 6351)
&rst
ixpk= 6351, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=2279,2280,2281,
igr2=2398,2399,2400,
&end
#
# 149 ILE QD1 169 LEU QD1 3.84 (#peak 6352)
&rst
ixpk= 6352, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=2279,2280,2281,
igr2=2591,2592,2593,
&end
#
# 149 ILE QG2 149 ILE HG12 4.19 (#peak 941)
&rst
ixpk= 941, nxpk= 0, iat= -1,2276, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=2272,2273,2274,
&end
#
# 149 ILE QG2 149 ILE HG13 3.45 (#peak 1242)
&rst
ixpk= 1242, nxpk= 0, iat= -1,2277, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=2272,2273,2274,
&end
#
# 149 ILE QG2 149 ILE QD1 4.78 (#peak 1243)
&rst
ixpk= 1243, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=2272,2273,2274,
igr2=2279,2280,2281,
&end
#
# 149 ILE QG2 150 ASN HN 3.50 (#peak 420)
&rst
ixpk= 420, nxpk= 0, iat= -1,2285, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2272,2273,2274,
&end
#
# 149 ILE QG2 154 ASN HA 4.49 (#peak 5976)
&rst
ixpk= 5976, nxpk= 0, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2272,2273,2274,
&end
#
# 149 ILE QG2 154 ASN HB2 4.64 (#peak 5977)
&rst
ixpk= 5977, nxpk= 0, iat= -1,2345, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=2272,2273,2274,
&end
#
# 149 ILE QG2 154 ASN HB3 4.22 (#peak 5978)
&rst
ixpk= 5978, nxpk= 0, iat= -1,2346, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=2272,2273,2274,
&end
#
# 150 ASN HN 150 ASN HB3 4.10 (#peak 411)
&rst
ixpk= 411, nxpk= 0, iat=2285,2290, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 150 ASN HN 150 ASN HD21 5.96 (#peak 406)
&rst
ixpk= 406, nxpk= 0, iat=2285,2294, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 150 ASN HN 150 ASN HD22 6.15 (#peak 1436)
&rst
ixpk= 1436, nxpk= 0, iat=2285,2295, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 150 ASN HN 151 ASN HN 6.12 (#peak 482)
&rst
ixpk= 482, nxpk= 0, iat=2285,2299, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end
#
# 150 ASN HN 152 ASP HN 6.15 (#peak 416)
&rst
ixpk= 416, nxpk= 0, iat=2285,2313, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 150 ASN HN 153 VAL HB 5.45 (#peak 2698)
&rst
ixpk= 2698, nxpk= 0, iat=2285,2329, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 150 ASN HN 176 LEU QD1 4.47 (#peak 2768)
&rst
ixpk= 2768, nxpk= 0, iat=2285, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2691,2692,2693,
&end
#
# 150 ASN HA 150 ASN HD21 6.15 (#peak 24)
&rst
ixpk= 24, nxpk= 0, iat=2287,2294, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 150 ASN HA 150 ASN HD22 4.73 (#peak 1439)
&rst
ixpk= 1439, nxpk= 0, iat=2287,2295, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 150 ASN HA 151 ASN HA 5.75 (#peak 5737)
&rst
ixpk= 5737, nxpk= 0, iat=2287,2301, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 150 ASN HA 152 ASP HN 5.93 (#peak 1414)
&rst
ixpk= 1414, nxpk= 0, iat=2287,2313, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 150 ASN HA 154 ASN HN 6.15 (#peak 1713)
&rst
ixpk= 1713, nxpk= 0, iat=2287,2341, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 150 ASN HB2 151 ASN HN 6.15 (#peak 491)
&rst
ixpk= 491, nxpk= 0, iat=2289,2299, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 150 ASN HB2 151 ASN HA 6.15 (#peak 4612)
&rst
ixpk= 4612, nxpk= 0, iat=2289,2301, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 150 ASN HB2 153 VAL QG1 5.39 (#peak 5893)
&rst
ixpk= 5893, nxpk= 0, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=2331,2332,2333,
&end
#
# 150 ASN HB2 153 VAL QG2 6.15 (#peak 5513)
&rst
ixpk= 5513, nxpk= 0, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2335,2336,2337,
&end
#
# 150 ASN HB3 151 ASN HN 6.15 (#peak 485)
&rst
ixpk= 485, nxpk= 0, iat=2290,2299, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 150 ASN HB3 151 ASN HA 5.72 (#peak 5510)
&rst
ixpk= 5510, nxpk= 0, iat=2290,2301, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 150 ASN HB3 152 ASP HB3 4.58 (#peak 5727)
&rst
ixpk= 5727, nxpk= 0, iat=2290,2318, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 150 ASN HB3 153 VAL QG1 5.90 (#peak 5894)
&rst
ixpk= 5894, nxpk= 0, iat=2290, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=2331,2332,2333,
&end
#
# 150 ASN HD22 176 LEU HG 5.12 (#peak 6504)
&rst
ixpk= 6504, nxpk= 0, iat=2295,2689, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 151 ASN HA 153 VAL HN 5.01 (#peak 634)
&rst
ixpk= 634, nxpk= 0, iat=2301,2325, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 151 ASN HA 154 ASN HB2 5.02 (#peak 1460)
&rst
ixpk= 1460, nxpk= 0, iat=2301,2345, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 151 ASN HB2 152 ASP HN 6.09 (#peak 1403)
&rst
ixpk= 1403, nxpk= 0, iat=2303,2313, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 151 ASN HB3 152 ASP HN 5.87 (#peak 1408)
&rst
ixpk= 1408, nxpk= 0, iat=2304,2313, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 152 ASP HN 153 VAL HN 5.93 (#peak 631)
&rst
ixpk= 631, nxpk= 0, iat=2313,2325, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 152 ASP HN 153 VAL QG1 5.27 (#peak 2699)
&rst
ixpk= 2699, nxpk= 0, iat=2313, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=2331,2332,2333,
&end
#
# 152 ASP HN 154 ASN HN 5.95 (#peak 1710)
&rst
ixpk= 1710, nxpk= 0, iat=2313,2341, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 152 ASP HA 155 ASP HN 6.15 (#peak 149)
&rst
ixpk= 149, nxpk= 0, iat=2315,2355, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 152 ASP HA 155 ASP HB2 5.38 (#peak 175)
&rst
ixpk= 175, nxpk= 0, iat=2315,2359, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 152 ASP HA 155 ASP HB3 4.00 (#peak 2583)
&rst
ixpk= 2583, nxpk= 0, iat=2315,2360, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 152 ASP HB2 153 VAL HN 6.02 (#peak 632)
&rst
ixpk= 632, nxpk= 0, iat=2317,2325, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 152 ASP HB2 153 VAL QG1 4.90 (#peak 5792)
&rst
ixpk= 5792, nxpk= 0, iat=2317, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2331,2332,2333,
&end
#
# 152 ASP HB3 153 VAL HN 5.86 (#peak 628)
&rst
ixpk= 628, nxpk= 0, iat=2318,2325, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 153 VAL HN 153 VAL QG1 3.85 (#peak 635)
&rst
ixpk= 635, nxpk= 0, iat=2325, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=2331,2332,2333,
&end
#
# 153 VAL HN 153 VAL QG2 3.84 (#peak 627)
&rst
ixpk= 627, nxpk= 0, iat=2325, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=2335,2336,2337,
&end
#
# 153 VAL HN 154 ASN HN 6.03 (#peak 633)
&rst
ixpk= 633, nxpk= 0, iat=2325,2341, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 153 VAL HN 155 ASP HN 6.15 (#peak 624)
&rst
ixpk= 624, nxpk= 0, iat=2325,2355, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 153 VAL HA 153 VAL QG1 3.95 (#peak 589)
&rst
ixpk= 589, nxpk= 0, iat=2327, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2331,2332,2333,
&end
#
# 153 VAL HA 155 ASP HN 6.15 (#peak 142)
&rst
ixpk= 142, nxpk= 0, iat=2327,2355, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 153 VAL HA 156 PHE HN 6.10 (#peak 173)
&rst
ixpk= 173, nxpk= 0, iat=2327,2367, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 153 VAL HA 156 PHE QB 5.51 (#peak 585)
&rst
ixpk= 585, nxpk= 0, iat=2327, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=2371,2372,
&end
#
# 153 VAL HA 156 PHE QD 4.16 (#peak 9153)
&rst
ixpk= 9153, nxpk= 0, iat=2327, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=2375,2383,
&end
#
# 153 VAL HB 154 ASN HN 5.84 (#peak 1708)
&rst
ixpk= 1708, nxpk= 0, iat=2329,2341, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 153 VAL QG1 154 ASN HN 5.95 (#peak 1714)
&rst
ixpk= 1714, nxpk= 0, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr1=2331,2332,2333,
&end
#
# 153 VAL QG1 154 ASN HA 5.48 (#peak 5194)
&rst
ixpk= 5194, nxpk= 0, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=2331,2332,2333,
&end
#
# 153 VAL QG1 156 PHE QD 5.40 (#peak 6391)
&rst
ixpk= 6391, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2331,2332,2333,
igr2=2375,2383,
&end
#
# 153 VAL QG2 154 ASN HN 5.89 (#peak 1705)
&rst
ixpk= 1705, nxpk= 0, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2335,2336,2337,
&end
#
# 153 VAL QG2 154 ASN HA 6.15 (#peak 5193)
&rst
ixpk= 5193, nxpk= 0, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=2335,2336,2337,
&end
#
# 153 VAL QG2 156 PHE QD 4.34 (#peak 9165)
&rst
ixpk= 9165, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=2335,2336,2337,
igr2=2375,2383,
&end
#
# 153 VAL QG2 157 MET QE 3.71 (#peak 5783)
&rst
ixpk= 5783, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=2335,2336,2337,
igr2=2398,2399,2400,
&end
#
# 153 VAL QG2 157 MET QG 4.80 (#peak 5782)
&rst
ixpk= 5782, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2335,2336,2337,
igr2=2394,2395,
&end
#
# 154 ASN HN 154 ASN HD21 6.15 (#peak 1706)
&rst
ixpk= 1706, nxpk= 0, iat=2341,2350, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 154 ASN HN 154 ASN HD22 6.15 (#peak 1700)
&rst
ixpk= 1700, nxpk= 0, iat=2341,2351, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 154 ASN HN 155 ASP HN 6.05 (#peak 150)
&rst
ixpk= 150, nxpk= 0, iat=2341,2355, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 154 ASN HN 156 PHE HN 5.99 (#peak 182)
&rst
ixpk= 182, nxpk= 0, iat=2341,2367, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 154 ASN HA 154 ASN HD21 5.91 (#peak 827)
&rst
ixpk= 827, nxpk= 0, iat=2343,2350, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 154 ASN HA 154 ASN HD22 5.40 (#peak 4470)
&rst
ixpk= 4470, nxpk= 0, iat=2343,2351, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 154 ASN HA 155 ASP HA 6.15 (#peak 5200)
&rst
ixpk= 5200, nxpk= 0, iat=2343,2357, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 154 ASN HA 156 PHE HN 6.15 (#peak 4469)
&rst
ixpk= 4469, nxpk= 0, iat=2343,2367, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 154 ASN HA 157 MET HN 5.83 (#peak 4473)
&rst
ixpk= 4473, nxpk= 0, iat=2343,2387, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 154 ASN HA 157 MET HB2 5.61 (#peak 5059)
&rst
ixpk= 5059, nxpk= 0, iat=2343,2391, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 154 ASN HA 157 MET HB3 5.35 (#peak 5058)
&rst
ixpk= 5058, nxpk= 0, iat=2343,2392, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 154 ASN HA 158 THR HN 4.90 (#peak 2741)
&rst
ixpk= 2741, nxpk= 0, iat=2343,2404, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 154 ASN HB2 155 ASP HN 6.15 (#peak 153)
&rst
ixpk= 153, nxpk= 0, iat=2345,2355, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 154 ASN HD21 155 ASP HN 6.15 (#peak 825)
&rst
ixpk= 825, nxpk= 0, iat=2350,2355, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 154 ASN HD22 155 ASP HN 6.15 (#peak 2564)
&rst
ixpk= 2564, nxpk= 0, iat=2351,2355, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 155 ASP HN 151 ASN O 2.4
&rst
ixpk= 2564, nxpk= 0, iat=2355,2311, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 155 ASP HN 156 PHE HN 5.94 (#peak 174)
&rst
ixpk= 174, nxpk= 0, iat=2355,2367, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 155 ASP HN 157 MET HN 6.15 (#peak 152)
&rst
ixpk= 152, nxpk= 0, iat=2355,2387, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 155 ASP HA 157 MET HN 6.08 (#peak 2132)
&rst
ixpk= 2132, nxpk= 0, iat=2357,2387, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 155 ASP HA 158 THR HN 4.30 (#peak 289)
&rst
ixpk= 289, nxpk= 0, iat=2357,2404, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 155 ASP HA 159 GLU HN 6.15 (#peak 2567)
&rst
ixpk= 2567, nxpk= 0, iat=2357,2418, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 155 ASP HB2 156 PHE HN 6.12 (#peak 176)
&rst
ixpk= 176, nxpk= 0, iat=2359,2367, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end
#
# 155 ASP HB3 156 PHE HN 6.15 (#peak 180)
&rst
ixpk= 180, nxpk= 0, iat=2360,2367, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 155 ASP N 151 ASN O 3.3
&rst
ixpk= 180, nxpk= 0, iat=2354,2311, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 156 PHE HN 157 MET HN 5.84 (#peak 183)
&rst
ixpk= 183, nxpk= 0, iat=2367,2387, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 156 PHE HN 158 THR HN 6.15 (#peak 2565)
&rst
ixpk= 2565, nxpk= 0, iat=2367,2404, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 156 PHE HA 156 PHE QD 3.11 (#peak 9154)
&rst
ixpk= 9154, nxpk= 0, iat=2369, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=2375,2383,
&end
#
# 156 PHE HA 156 PHE QE 4.96 (#peak 9157)
&rst
ixpk= 9157, nxpk= 0, iat=2369, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2377,2381,
&end
#
# 156 PHE HA 158 THR HN 5.63 (#peak 285)
&rst
ixpk= 285, nxpk= 0, iat=2369,2404, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 156 PHE HA 159 GLU HN 4.79 (#peak 2393)
&rst
ixpk= 2393, nxpk= 0, iat=2369,2418, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 156 PHE HA 159 GLU HB2 4.53 (#peak 2396)
&rst
ixpk= 2396, nxpk= 0, iat=2369,2422, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 156 PHE HA 159 GLU HB3 5.17 (#peak 2400)
&rst
ixpk= 2400, nxpk= 0, iat=2369,2423, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 156 PHE HA 160 HIS HN 5.76 (#peak 2573)
&rst
ixpk= 2573, nxpk= 0, iat=2369,2433, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 156 PHE QB 157 MET HN 5.88 (#peak 2135)
&rst
ixpk= 2135, nxpk= 0, iat= -1,2387, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=2371,2372,
&end
#
# 156 PHE QB 157 MET HB2 6.07 (#peak 5060)
&rst
ixpk= 5060, nxpk= 0, iat= -1,2391, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2371,2372,
&end
#
# 156 PHE QB 158 THR HN 6.10 (#peak 2518)
&rst
ixpk= 2518, nxpk= 0, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=2371,2372,
&end
#
# 156 PHE QD 160 HIS HD2 5.25 (#peak 9233)
&rst
ixpk= 9233, nxpk= 0, iat= -1,2446, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=2375,2383,
&end
#
# 156 PHE QD 167 ALA QB 5.77 (#peak 9169)
&rst
ixpk= 9169, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2375,2383,
igr2=2560,2561,2562,
&end
#
# 156 PHE QD 179 LEU QD1 3.93 (#peak 9166)
&rst
ixpk= 9166, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2375,2383,
igr2=2728,2729,2730,
&end
#
# 156 PHE QD 179 LEU QD2 4.19 (#peak 9164)
&rst
ixpk= 9164, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=2375,2383,
igr2=2732,2733,2734,
&end
#
# 156 PHE QD 181 ALA QB 5.03 (#peak 9159)
&rst
ixpk= 9159, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1=2375,2383,
igr2=2761,2762,2763,
&end
#
# 156 PHE QE 181 ALA QB 3.39 (#peak 9160)
&rst
ixpk= 9160, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=2377,2381,
igr2=2761,2762,2763,
&end
#
# 157 MET HN 157 MET QE 6.15 (#peak 2134)
&rst
ixpk= 2134, nxpk= 0, iat=2387, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2398,2399,2400,
&end
#
# 157 MET HN 157 MET QG 5.96 (#peak 2136)
&rst
ixpk= 2136, nxpk= 0, iat=2387, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2=2394,2395,
&end
#
# 157 MET HN 158 THR HN 5.94 (#peak 2512)
&rst
ixpk= 2512, nxpk= 0, iat=2387,2404, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 157 MET HN 159 GLU HN 6.15 (#peak 736)
&rst
ixpk= 736, nxpk= 0, iat=2387,2418, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 157 MET HA 157 MET QE 4.89 (#peak 3783)
&rst
ixpk= 3783, nxpk= 0, iat=2389, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=2398,2399,2400,
&end
#
# 157 MET HA 160 HIS HN 5.83 (#peak 2219)
&rst
ixpk= 2219, nxpk= 0, iat=2389,2433, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 157 MET HA 160 HIS HB3 5.87 (#peak 5789)
&rst
ixpk= 5789, nxpk= 0, iat=2389,2438, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 157 MET HA 160 HIS HD2 5.64 (#peak 9251)
&rst
ixpk= 9251, nxpk= 0, iat=2389,2446, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 157 MET HB2 157 MET QE 5.60 (#peak 4092)
&rst
ixpk= 4092, nxpk= 0, iat=2391, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2398,2399,2400,
&end
#
# 157 MET HB2 158 THR HN 6.12 (#peak 287)
&rst
ixpk= 287, nxpk= 0, iat=2391,2404, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end
#
# 157 MET HB2 159 GLU HN 6.15 (#peak 2520)
&rst
ixpk= 2520, nxpk= 0, iat=2391,2418, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 157 MET HB3 157 MET QE 4.05 (#peak 1855)
&rst
ixpk= 1855, nxpk= 0, iat=2392, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=2398,2399,2400,
&end
#
# 157 MET HB3 158 THR HN 6.15 (#peak 294)
&rst
ixpk= 294, nxpk= 0, iat=2392,2404, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 157 MET HB3 158 THR QG2 5.76 (#peak 5066)
&rst
ixpk= 5066, nxpk= 0, iat=2392, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2=2410,2411,2412,
&end
#
# 157 MET QE 167 ALA QB 3.88 (#peak 5761)
&rst
ixpk= 5761, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2398,2399,2400,
igr2=2560,2561,2562,
&end
#
# 157 MET QE 169 LEU HB2 4.58 (#peak 5777)
&rst
ixpk= 5777, nxpk= 0, iat= -1,2586, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2398,2399,2400,
&end
#
# 157 MET QE 169 LEU HB3 4.56 (#peak 5776)
&rst
ixpk= 5776, nxpk= 0, iat= -1,2587, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=2398,2399,2400,
&end
#
# 157 MET QE 169 LEU HG 4.34 (#peak 5775)
&rst
ixpk= 5775, nxpk= 0, iat= -1,2589, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=2398,2399,2400,
&end
#
# 157 MET QE 169 LEU QD1 4.46 (#peak 5772)
&rst
ixpk= 5772, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=2398,2399,2400,
igr2=2591,2592,2593,
&end
#
# 157 MET QE 169 LEU QD2 4.24 (#peak 5774)
&rst
ixpk= 5774, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=2398,2399,2400,
igr2=2595,2596,2597,
&end
#
# 157 MET QG 157 MET QE 3.63 (#peak 1360)
&rst
ixpk= 1360, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=2394,2395,
igr2=2398,2399,2400,
&end
#
# 157 MET QG 158 THR HN 4.30 (#peak 2668)
&rst
ixpk= 2668, nxpk= 0, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=2394,2395,
&end
#
# 157 MET QG 167 ALA QB 5.53 (#peak 5762)
&rst
ixpk= 5762, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1=2394,2395,
igr2=2560,2561,2562,
&end
#
# 158 THR HN 154 ASN O 2.4
&rst
ixpk= 5762, nxpk= 0, iat=2404,2353, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 158 THR HN 158 THR HB 4.07 (#peak 290)
&rst
ixpk= 290, nxpk= 0, iat=2404,2408, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 158 THR HN 158 THR QG2 6.00 (#peak 283)
&rst
ixpk= 283, nxpk= 0, iat=2404, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2410,2411,2412,
&end
#
# 158 THR HN 159 GLU HN 4.03 (#peak 2513)
&rst
ixpk= 2513, nxpk= 0, iat=2404,2418, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 158 THR HN 159 GLU HB3 5.77 (#peak 2700)
&rst
ixpk= 2700, nxpk= 0, iat=2404,2423, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 158 THR HN 160 HIS HN 5.70 (#peak 2510)
&rst
ixpk= 2510, nxpk= 0, iat=2404,2433, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 158 THR HA 158 THR QG2 3.80 (#peak 1162)
&rst
ixpk= 1162, nxpk= 0, iat=2406, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=2410,2411,2412,
&end
#
# 158 THR HA 159 GLU HB3 6.15 (#peak 5794)
&rst
ixpk= 5794, nxpk= 0, iat=2406,2423, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 158 THR HA 160 HIS HN 5.96 (#peak 2218)
&rst
ixpk= 2218, nxpk= 0, iat=2406,2433, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 158 THR HA 161 GLU HN 4.96 (#peak 714)
&rst
ixpk= 714, nxpk= 0, iat=2406,2450, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 158 THR HA 161 GLU HB2 4.70 (#peak 1159)
&rst
ixpk= 1159, nxpk= 0, iat=2406,2454, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 158 THR HA 161 GLU HB3 5.01 (#peak 1165)
&rst
ixpk= 1165, nxpk= 0, iat=2406,2455, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 158 THR HA 161 GLU HG3 5.40 (#peak 6548)
&rst
ixpk= 6548, nxpk= 0, iat=2406,2458, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 158 THR HB 159 GLU HN 4.67 (#peak 729)
&rst
ixpk= 729, nxpk= 0, iat=2408,2418, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 158 THR N 154 ASN O 3.3
&rst
ixpk= 729, nxpk= 0, iat=2403,2353, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 158 THR QG2 159 GLU HN 6.11 (#peak 722)
&rst
ixpk= 722, nxpk= 0, iat= -1,2418, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=2410,2411,2412,
&end
#
# 158 THR QG2 159 GLU HB2 4.79 (#peak 5790)
&rst
ixpk= 5790, nxpk= 0, iat= -1,2422, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=2410,2411,2412,
&end
#
# 158 THR QG2 159 GLU HB3 5.09 (#peak 5793)
&rst
ixpk= 5793, nxpk= 0, iat= -1,2423, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2410,2411,2412,
&end
#
# 158 THR QG2 160 HIS HN 5.00 (#peak 2642)
&rst
ixpk= 2642, nxpk= 0, iat= -1,2433, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2410,2411,2412,
&end
#
# 158 THR QG2 162 ARG QD 4.66 (#peak 3759)
&rst
ixpk= 3759, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=2410,2411,2412,
igr2=2475,2476,
&end
#
# 159 GLU HN 159 GLU HG2 5.76 (#peak 733)
&rst
ixpk= 733, nxpk= 0, iat=2418,2425, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 159 GLU HN 159 GLU HG3 5.93 (#peak 731)
&rst
ixpk= 731, nxpk= 0, iat=2418,2426, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 159 GLU HN 160 HIS HN 5.57 (#peak 737)
&rst
ixpk= 737, nxpk= 0, iat=2418,2433, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 159 GLU HN 162 ARG QD 6.15 (#peak 2701)
&rst
ixpk= 2701, nxpk= 0, iat=2418, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=2475,2476,
&end
#
# 159 GLU HA 162 ARG HN 5.74 (#peak 2574)
&rst
ixpk= 2574, nxpk= 0, iat=2420,2465, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 159 GLU HA 162 ARG QB 5.23 (#peak 3922)
&rst
ixpk= 3922, nxpk= 0, iat=2420, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=2469,2470,
&end
#
# 159 GLU HA 162 ARG QD 5.01 (#peak 5249)
&rst
ixpk= 5249, nxpk= 0, iat=2420, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=2475,2476,
&end
#
# 159 GLU HB2 160 HIS HN 6.00 (#peak 2214)
&rst
ixpk= 2214, nxpk= 0, iat=2422,2433, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 159 GLU HB3 160 HIS HN 6.15 (#peak 2206)
&rst
ixpk= 2206, nxpk= 0, iat=2423,2433, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 159 GLU HG2 160 HIS HN 6.15 (#peak 2217)
&rst
ixpk= 2217, nxpk= 0, iat=2425,2433, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 160 HIS HN 160 HIS HD2 6.15 (#peak 2212)
&rst
ixpk= 2212, nxpk= 0, iat=2433,2446, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 160 HIS HN 161 GLU HN 5.42 (#peak 2209)
&rst
ixpk= 2209, nxpk= 0, iat=2433,2450, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 160 HIS HN 161 GLU HB2 5.15 (#peak 2482)
&rst
ixpk= 2482, nxpk= 0, iat=2433,2454, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 160 HIS HA 163 LYS HB2 5.48 (#peak 876)
&rst
ixpk= 876, nxpk= 0, iat=2435,2493, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 160 HIS HA 163 LYS HB3 6.14 (#peak 2080)
&rst
ixpk= 2080, nxpk= 0, iat=2435,2494, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 160 HIS HA 163 LYS HD2 4.94 (#peak 6389)
&rst
ixpk= 6389, nxpk= 0, iat=2435,2499, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 160 HIS HA 163 LYS HD3 5.22 (#peak 5742)
&rst
ixpk= 5742, nxpk= 0, iat=2435,2500, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 160 HIS HB2 161 GLU HN 5.69 (#peak 712)
&rst
ixpk= 712, nxpk= 0, iat=2437,2450, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 160 HIS HB3 161 GLU HN 5.30 (#peak 703)
&rst
ixpk= 703, nxpk= 0, iat=2438,2450, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 160 HIS HD2 167 ALA QB 5.87 (#peak 9248)
&rst
ixpk= 9248, nxpk= 0, iat=2446, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2=2560,2561,2562,
&end
#
# 160 HIS HD2 181 ALA QB 4.90 (#peak 9232)
&rst
ixpk= 9232, nxpk= 0, iat=2446, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2761,2762,2763,
&end
#
# 161 GLU HN 161 GLU HG2 5.49 (#peak 713)
&rst
ixpk= 713, nxpk= 0, iat=2450,2457, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 161 GLU HN 162 ARG HN 6.06 (#peak 315)
&rst
ixpk= 315, nxpk= 0, iat=2450,2465, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 161 GLU HA 163 LYS HN 5.19 (#peak 1220)
&rst
ixpk= 1220, nxpk= 0, iat=2452,2489, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 161 GLU HA 165 ARG HN 5.32 (#peak 2575)
&rst
ixpk= 2575, nxpk= 0, iat=2452,2518, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 161 GLU HB2 162 ARG HN 6.01 (#peak 311)
&rst
ixpk= 311, nxpk= 0, iat=2454,2465, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 161 GLU HB3 162 ARG HN 5.78 (#peak 318)
&rst
ixpk= 318, nxpk= 0, iat=2455,2465, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 161 GLU HB3 165 ARG HN 6.15 (#peak 2508)
&rst
ixpk= 2508, nxpk= 0, iat=2455,2518, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 161 GLU HB3 167 ALA HN 6.14 (#peak 2484)
&rst
ixpk= 2484, nxpk= 0, iat=2455,2556, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 161 GLU HB3 167 ALA QB 4.62 (#peak 5331)
&rst
ixpk= 5331, nxpk= 0, iat=2455, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=2560,2561,2562,
&end
#
# 161 GLU HG2 162 ARG HN 5.98 (#peak 325)
&rst
ixpk= 325, nxpk= 0, iat=2457,2465, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 161 GLU HG2 167 ALA QB 5.59 (#peak 5850)
&rst
ixpk= 5850, nxpk= 0, iat=2457, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2=2560,2561,2562,
&end
#
# 161 GLU HG3 162 ARG HN 6.12 (#peak 317)
&rst
ixpk= 317, nxpk= 0, iat=2458,2465, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end
#
# 161 GLU HG3 167 ALA QB 5.81 (#peak 5849)
&rst
ixpk= 5849, nxpk= 0, iat=2458, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2=2560,2561,2562,
&end
#
# 162 ARG HN 158 THR O 2.4
&rst
ixpk= 5849, nxpk= 0, iat=2465,2416, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 162 ARG HN 162 ARG HG2 5.83 (#peak 321)
&rst
ixpk= 321, nxpk= 0, iat=2465,2472, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 162 ARG HN 162 ARG HG3 6.01 (#peak 327)
&rst
ixpk= 327, nxpk= 0, iat=2465,2473, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 162 ARG HN 162 ARG QD 6.15 (#peak 312)
&rst
ixpk= 312, nxpk= 0, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=2475,2476,
&end
#
# 162 ARG HN 163 LYS HN 4.80 (#peak 320)
&rst
ixpk= 320, nxpk= 0, iat=2465,2489, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 162 ARG HN 164 GLY HN 6.15 (#peak 1373)
&rst
ixpk= 1373, nxpk= 0, iat=2465,2511, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 162 ARG HA 162 ARG HG2 3.92 (#peak 246)
&rst
ixpk= 246, nxpk= 0, iat=2467,2472, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 162 ARG HA 162 ARG QD 4.35 (#peak 3756)
&rst
ixpk= 3756, nxpk= 0, iat=2467, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=2475,2476,
&end
#
# 162 ARG HA 164 GLY HN 5.66 (#peak 249)
&rst
ixpk= 249, nxpk= 0, iat=2467,2511, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 162 ARG HG3 162 ARG QD 2.85 (#peak 3760)
&rst
ixpk= 3760, nxpk= 0, iat=2473, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2=2475,2476,
&end
#
# 162 ARG N 158 THR O 3.3
&rst
ixpk= 3760, nxpk= 0, iat=2464,2416, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 162 ARG QB 162 ARG QD 3.29 (#peak 3762)
&rst
ixpk= 3762, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=2469,2470,
igr2=2475,2476,
&end
#
# 162 ARG QB 163 LYS HN 4.14 (#peak 1208)
&rst
ixpk= 1208, nxpk= 0, iat= -1,2489, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=2469,2470,
&end
#
# 162 ARG QB 163 LYS HA 5.58 (#peak 5450)
&rst
ixpk= 5450, nxpk= 0, iat= -1,2491, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=2469,2470,
&end
#
# 163 LYS HN 159 GLU O 2.4
&rst
ixpk= 5450, nxpk= 0, iat=2489,2431, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 163 LYS HN 163 LYS HD2 5.94 (#peak 1222)
&rst
ixpk= 1222, nxpk= 0, iat=2489,2499, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 163 LYS HN 163 LYS HD3 5.91 (#peak 1209)
&rst
ixpk= 1209, nxpk= 0, iat=2489,2500, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 163 LYS HN 163 LYS HG2 4.82 (#peak 1213)
&rst
ixpk= 1213, nxpk= 0, iat=2489,2496, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 163 LYS HN 163 LYS HG3 6.08 (#peak 1223)
&rst
ixpk= 1223, nxpk= 0, iat=2489,2497, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 163 LYS HN 164 GLY HN 4.20 (#peak 1381)
&rst
ixpk= 1381, nxpk= 0, iat=2489,2511, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 163 LYS HN 165 ARG HN 5.98 (#peak 2514)
&rst
ixpk= 2514, nxpk= 0, iat=2489,2518, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 163 LYS HA 163 LYS HD2 4.01 (#peak 1731)
&rst
ixpk= 1731, nxpk= 0, iat=2491,2499, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 163 LYS HA 163 LYS HD3 4.19 (#peak 2057)
&rst
ixpk= 2057, nxpk= 0, iat=2491,2500, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 163 LYS HA 163 LYS HG2 4.15 (#peak 1743)
&rst
ixpk= 1743, nxpk= 0, iat=2491,2496, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 163 LYS HA 163 LYS HG3 4.21 (#peak 1740)
&rst
ixpk= 1740, nxpk= 0, iat=2491,2497, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 163 LYS HA 163 LYS QE 5.70 (#peak 4010)
&rst
ixpk= 4010, nxpk= 0, iat=2491, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=2502,2503,
&end
#
# 163 LYS HB2 163 LYS HD2 4.11 (#peak 870)
&rst
ixpk= 870, nxpk= 0, iat=2493,2499, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 163 LYS HB2 163 LYS HD3 4.03 (#peak 875)
&rst
ixpk= 875, nxpk= 0, iat=2493,2500, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 163 LYS HB2 163 LYS QE 4.50 (#peak 4008)
&rst
ixpk= 4008, nxpk= 0, iat=2493, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2502,2503,
&end
#
# 163 LYS HB2 164 GLY HN 6.01 (#peak 1380)
&rst
ixpk= 1380, nxpk= 0, iat=2493,2511, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 163 LYS HB3 163 LYS HD2 4.02 (#peak 206)
&rst
ixpk= 206, nxpk= 0, iat=2494,2499, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 163 LYS HB3 163 LYS HD3 3.75 (#peak 2056)
&rst
ixpk= 2056, nxpk= 0, iat=2494,2500, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 163 LYS HB3 163 LYS QE 6.15 (#peak 1323)
&rst
ixpk= 1323, nxpk= 0, iat=2494, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=2502,2503,
&end
#
# 163 LYS HB3 164 GLY HN 6.15 (#peak 1377)
&rst
ixpk= 1377, nxpk= 0, iat=2494,2511, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 163 LYS HD2 164 GLY HN 6.15 (#peak 1386)
&rst
ixpk= 1386, nxpk= 0, iat=2499,2511, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 163 LYS HD3 164 GLY HN 5.95 (#peak 1375)
&rst
ixpk= 1375, nxpk= 0, iat=2500,2511, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 163 LYS HG2 163 LYS QE 3.65 (#peak 4015)
&rst
ixpk= 4015, nxpk= 0, iat=2496, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=2502,2503,
&end
#
# 163 LYS HG3 163 LYS QE 3.13 (#peak 4012)
&rst
ixpk= 4012, nxpk= 0, iat=2497, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=2502,2503,
&end
#
# 163 LYS N 159 GLU O 3.3
&rst
ixpk= 4012, nxpk= 0, iat=2488,2431, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 165 ARG HN 165 ARG QG 6.15 (#peak 1105)
&rst
ixpk= 1105, nxpk= 0, iat=2518, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=2525,2526,
&end
#
# 165 ARG HN 166 THR HN 5.92 (#peak 1107)
&rst
ixpk= 1107, nxpk= 0, iat=2518,2542, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 165 ARG HB2 166 THR HN 6.15 (#peak 1184)
&rst
ixpk= 1184, nxpk= 0, iat=2522,2542, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 165 ARG HB2 183 ALA QB 5.53 (#peak 6495)
&rst
ixpk= 6495, nxpk= 0, iat=2522, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2=2790,2791,2792,
&end
#
# 165 ARG HB3 166 THR HN 5.89 (#peak 1190)
&rst
ixpk= 1190, nxpk= 0, iat=2523,2542, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 165 ARG HD2 183 ALA QB 6.15 (#peak 6497)
&rst
ixpk= 6497, nxpk= 0, iat=2528, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2790,2791,2792,
&end
#
# 165 ARG HD3 183 ALA QB 6.15 (#peak 6496)
&rst
ixpk= 6496, nxpk= 0, iat=2529, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2790,2791,2792,
&end
#
# 165 ARG QG 166 THR HN 6.15 (#peak 1187)
&rst
ixpk= 1187, nxpk= 0, iat= -1,2542, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=2525,2526,
&end
#
# 166 THR HN 166 THR QG2 5.82 (#peak 1194)
&rst
ixpk= 1194, nxpk= 0, iat=2542, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr2=2548,2549,2550,
&end
#
# 166 THR HN 167 ALA HN 4.99 (#peak 1192)
&rst
ixpk= 1192, nxpk= 0, iat=2542,2556, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 166 THR HN 181 ALA HA 6.15 (#peak 2651)
&rst
ixpk= 2651, nxpk= 0, iat=2542,2759, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 166 THR HN 182 ILE HN 5.41 (#peak 2604)
&rst
ixpk= 2604, nxpk= 0, iat=2542,2767, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 166 THR HN 182 ILE QG2 6.15 (#peak 2576)
&rst
ixpk= 2576, nxpk= 0, iat=2542, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2773,2774,2775,
&end
#
# 166 THR HA 166 THR QG2 3.73 (#peak 2842)
&rst
ixpk= 2842, nxpk= 0, iat=2544, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=2548,2549,2550,
&end
#
# 166 THR HB 167 ALA HN 6.15 (#peak 1550)
&rst
ixpk= 1550, nxpk= 0, iat=2546,2556, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 166 THR HB 182 ILE HN 6.15 (#peak 2274)
&rst
ixpk= 2274, nxpk= 0, iat=2546,2767, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 166 THR HB 182 ILE HB 4.46 (#peak 5832)
&rst
ixpk= 5832, nxpk= 0, iat=2546,2771, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 166 THR HB 182 ILE HG12 5.32 (#peak 5860)
&rst
ixpk= 5860, nxpk= 0, iat=2546,2777, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 166 THR HB 182 ILE QD1 4.73 (#peak 5857)
&rst
ixpk= 5857, nxpk= 0, iat=2546, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2780,2781,2782,
&end
#
# 166 THR HB 182 ILE QG2 4.75 (#peak 5337)
&rst
ixpk= 5337, nxpk= 0, iat=2546, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=2773,2774,2775,
&end
#
# 166 THR QG2 167 ALA HN 4.40 (#peak 1559)
&rst
ixpk= 1559, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=2548,2549,2550,
&end
#
# 166 THR QG2 182 ILE HB 4.54 (#peak 5833)
&rst
ixpk= 5833, nxpk= 0, iat= -1,2771, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=2548,2549,2550,
&end
#
# 166 THR QG2 182 ILE QD1 3.94 (#peak 6312)
&rst
ixpk= 6312, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=2548,2549,2550,
igr2=2780,2781,2782,
&end
#
# 167 ALA HN 167 ALA QB 3.67 (#peak 1549)
&rst
ixpk= 1549, nxpk= 0, iat=2556, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2560,2561,2562,
&end
#
# 167 ALA HN 181 ALA HA 6.15 (#peak 1553)
&rst
ixpk= 1553, nxpk= 0, iat=2556,2759, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 167 ALA HA 181 ALA HA 4.34 (#peak 2864)
&rst
ixpk= 2864, nxpk= 0, iat=2558,2759, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 167 ALA HA 181 ALA QB 6.15 (#peak 4777)
&rst
ixpk= 4777, nxpk= 0, iat=2558, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2761,2762,2763,
&end
#
# 167 ALA HA 182 ILE HN 6.07 (#peak 451)
&rst
ixpk= 451, nxpk= 0, iat=2558,2767, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 167 ALA QB 168 VAL HN 4.14 (#peak 1852)
&rst
ixpk= 1852, nxpk= 0, iat= -1,2566, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=2560,2561,2562,
&end
#
# 167 ALA QB 181 ALA HA 5.04 (#peak 5840)
&rst
ixpk= 5840, nxpk= 0, iat= -1,2759, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2560,2561,2562,
&end
#
# 167 ALA QB 181 ALA QB 5.90 (#peak 3502)
&rst
ixpk= 3502, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.51, r4= 9.01,
igr1=2560,2561,2562,
igr2=2761,2762,2763,
&end
#
# 168 VAL HN 168 VAL QG1 4.98 (#peak 1856)
&rst
ixpk= 1856, nxpk= 0, iat=2566, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=2572,2573,2574,
&end
#
# 168 VAL HN 168 VAL QG2 4.32 (#peak 1853)
&rst
ixpk= 1853, nxpk= 0, iat=2566, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2576,2577,2578,
&end
#
# 168 VAL HN 169 LEU HN 4.91 (#peak 1861)
&rst
ixpk= 1861, nxpk= 0, iat=2566,2582, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 168 VAL HN 180 ILE HN 5.41 (#peak 2266)
&rst
ixpk= 2266, nxpk= 0, iat=2566,2738, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 168 VAL HN 180 ILE O 2.4
&rst
ixpk= 2266, nxpk= 0, iat=2566,2755, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 168 VAL HA 168 VAL QG1 4.21 (#peak 3700)
&rst
ixpk= 3700, nxpk= 0, iat=2568, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=2572,2573,2574,
&end
#
# 168 VAL HA 168 VAL QG2 3.94 (#peak 3698)
&rst
ixpk= 3698, nxpk= 0, iat=2568, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=2576,2577,2578,
&end
#
# 168 VAL HB 169 LEU HN 5.94 (#peak 1970)
&rst
ixpk= 1970, nxpk= 0, iat=2570,2582, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 168 VAL HB 180 ILE HN 5.97 (#peak 2268)
&rst
ixpk= 2268, nxpk= 0, iat=2570,2738, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 168 VAL HB 180 ILE HB 4.73 (#peak 6021)
&rst
ixpk= 6021, nxpk= 0, iat=2570,2742, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 168 VAL HB 180 ILE QD1 5.96 (#peak 5343)
&rst
ixpk= 5343, nxpk= 0, iat=2570, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2=2751,2752,2753,
&end
#
# 168 VAL N 180 ILE O 3.3
&rst
ixpk= 5343, nxpk= 0, iat=2565,2755, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 168 VAL QG1 169 LEU HN 4.57 (#peak 1975)
&rst
ixpk= 1975, nxpk= 0, iat= -1,2582, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=2572,2573,2574,
&end
#
# 168 VAL QG2 169 LEU HN 6.02 (#peak 1973)
&rst
ixpk= 1973, nxpk= 0, iat= -1,2582, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1=2576,2577,2578,
&end
#
# 168 VAL QG2 169 LEU HA 5.79 (#peak 5339)
&rst
ixpk= 5339, nxpk= 0, iat= -1,2584, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1=2576,2577,2578,
&end
#
# 168 VAL QG2 180 ILE HB 3.83 (#peak 6020)
&rst
ixpk= 6020, nxpk= 0, iat= -1,2742, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=2576,2577,2578,
&end
#
# 169 LEU HN 137 GLY O 2.4
&rst
ixpk= 6020, nxpk= 0, iat=2582,2071, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 169 LEU HN 169 LEU HG 6.15 (#peak 1971)
&rst
ixpk= 1971, nxpk= 0, iat=2582,2589, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 169 LEU HN 169 LEU QD1 5.89 (#peak 1974)
&rst
ixpk= 1974, nxpk= 0, iat=2582, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2=2591,2592,2593,
&end
#
# 169 LEU HN 169 LEU QD2 5.98 (#peak 1977)
&rst
ixpk= 1977, nxpk= 0, iat=2582, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2=2595,2596,2597,
&end
#
# 169 LEU HN 170 VAL HN 5.94 (#peak 1978)
&rst
ixpk= 1978, nxpk= 0, iat=2582,2601, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 169 LEU HA 169 LEU HG 4.22 (#peak 811)
&rst
ixpk= 811, nxpk= 0, iat=2584,2589, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 169 LEU HA 169 LEU QD1 4.51 (#peak 813)
&rst
ixpk= 813, nxpk= 0, iat=2584, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2591,2592,2593,
&end
#
# 169 LEU HA 169 LEU QD2 4.61 (#peak 807)
&rst
ixpk= 807, nxpk= 0, iat=2584, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=2595,2596,2597,
&end
#
# 169 LEU HA 179 LEU HA 4.36 (#peak 2429)
&rst
ixpk= 2429, nxpk= 0, iat=2584,2721, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 169 LEU HA 180 ILE HN 5.83 (#peak 1838)
&rst
ixpk= 1838, nxpk= 0, iat=2584,2738, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 169 LEU HB2 169 LEU QD2 3.39 (#peak 1697)
&rst
ixpk= 1697, nxpk= 0, iat=2586, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=2595,2596,2597,
&end
#
# 169 LEU HB2 170 VAL HN 5.82 (#peak 2226)
&rst
ixpk= 2226, nxpk= 0, iat=2586,2601, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 169 LEU HB2 178 GLY HN 5.95 (#peak 2715)
&rst
ixpk= 2715, nxpk= 0, iat=2586,2712, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 169 LEU HB3 170 VAL HN 5.82 (#peak 2225)
&rst
ixpk= 2225, nxpk= 0, iat=2587,2601, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 169 LEU N 137 GLY O 3.3
&rst
ixpk= 2225, nxpk= 0, iat=2581,2071, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 169 LEU QD1 170 VAL HN 5.73 (#peak 2227)
&rst
ixpk= 2227, nxpk= 0, iat= -1,2601, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1=2591,2592,2593,
&end
#
# 169 LEU QD1 180 ILE HN 6.15 (#peak 2475)
&rst
ixpk= 2475, nxpk= 0, iat= -1,2738, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=2591,2592,2593,
&end
#
# 169 LEU QD2 179 LEU QD1 5.57 (#peak 4779)
&rst
ixpk= 4779, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
igr1=2595,2596,2597,
igr2=2728,2729,2730,
&end
#
# 170 VAL HN 170 VAL QG1 6.15 (#peak 1792)
&rst
ixpk= 1792, nxpk= 0, iat=2601, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2607,2608,2609,
&end
#
# 170 VAL HN 170 VAL QG2 4.30 (#peak 1795)
&rst
ixpk= 1795, nxpk= 0, iat=2601, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2611,2612,2613,
&end
#
# 170 VAL HN 178 GLY O 2.4
&rst
ixpk= 1795, nxpk= 0, iat=2601,2717, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 170 VAL HB 177 CYS HB3 5.68 (#peak 6387)
&rst
ixpk= 6387, nxpk= 0, iat=2605,2706, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 170 VAL HB 178 GLY HN 4.25 (#peak 2445)
&rst
ixpk= 2445, nxpk= 0, iat=2605,2712, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 170 VAL N 178 GLY O 3.3
&rst
ixpk= 2445, nxpk= 0, iat=2600,2717, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 170 VAL QG1 178 GLY HN 5.67 (#peak 2443)
&rst
ixpk= 2443, nxpk= 0, iat= -1,2712, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2607,2608,2609,
&end
#
# 171 ALA HN 135 LEU O 2.4
&rst
ixpk= 2443, nxpk= 0, iat=2617,2045, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 171 ALA HN 172 VAL HN 5.95 (#peak 2172)
&rst
ixpk= 2172, nxpk= 0, iat=2617,2627, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 171 ALA HN 172 VAL QG2 5.49 (#peak 2703)
&rst
ixpk= 2703, nxpk= 0, iat=2617, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=2637,2638,2639,
&end
#
# 171 ALA HA 172 VAL HN 3.51 (#peak 2166)
&rst
ixpk= 2166, nxpk= 0, iat=2619,2627, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 171 ALA HA 175 GLU HN 5.30 (#peak 2704)
&rst
ixpk= 2704, nxpk= 0, iat=2619,2667, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 171 ALA HA 176 LEU HA 4.85 (#peak 4528)
&rst
ixpk= 4528, nxpk= 0, iat=2619,2684, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 171 ALA HA 176 LEU HB3 5.60 (#peak 6541)
&rst
ixpk= 6541, nxpk= 0, iat=2619,2687, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 171 ALA HA 176 LEU QD1 4.54 (#peak 6502)
&rst
ixpk= 6502, nxpk= 0, iat=2619, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=2691,2692,2693,
&end
#
# 171 ALA HA 176 LEU QD2 4.79 (#peak 5878)
&rst
ixpk= 5878, nxpk= 0, iat=2619, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2695,2696,2697,
&end
#
# 171 ALA HA 177 CYS HN 6.15 (#peak 1423)
&rst
ixpk= 1423, nxpk= 0, iat=2619,2701, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 171 ALA HA 178 GLY HN 5.60 (#peak 1505)
&rst
ixpk= 1505, nxpk= 0, iat=2619,2712, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 171 ALA N 135 LEU O 3.3
&rst
ixpk= 1505, nxpk= 0, iat=2616,2045, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 171 ALA QB 172 VAL HN 6.15 (#peak 2173)
&rst
ixpk= 2173, nxpk= 0, iat= -1,2627, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=2621,2622,2623,
&end
#
# 171 ALA QB 175 GLU HN 5.77 (#peak 2650)
&rst
ixpk= 2650, nxpk= 0, iat= -1,2667, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2621,2622,2623,
&end
#
# 172 VAL HN 172 VAL QG1 6.15 (#peak 2176)
&rst
ixpk= 2176, nxpk= 0, iat=2627, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2633,2634,2635,
&end
#
# 172 VAL HN 172 VAL QG2 6.15 (#peak 2167)
&rst
ixpk= 2167, nxpk= 0, iat=2627, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2637,2638,2639,
&end
#
# 172 VAL HN 175 GLU HN 5.19 (#peak 2711)
&rst
ixpk= 2711, nxpk= 0, iat=2627,2667, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 172 VAL HN 175 GLU HB3 4.54 (#peak 2712)
&rst
ixpk= 2712, nxpk= 0, iat=2627,2672, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 172 VAL HN 175 GLU O 2.4
&rst
ixpk= 2712, nxpk= 0, iat=2627,2680, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 172 VAL HN 176 LEU HN 5.80 (#peak 900)
&rst
ixpk= 900, nxpk= 0, iat=2627,2682, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 172 VAL HN 176 LEU HA 4.77 (#peak 2746)
&rst
ixpk= 2746, nxpk= 0, iat=2627,2684, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 172 VAL HN 177 CYS HN 6.15 (#peak 2378)
&rst
ixpk= 2378, nxpk= 0, iat=2627,2701, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 172 VAL HA 172 VAL QG1 4.06 (#peak 629)
&rst
ixpk= 629, nxpk= 0, iat=2629, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=2633,2634,2635,
&end
#
# 172 VAL HB 173 ASP HN 5.81 (#peak 541)
&rst
ixpk= 541, nxpk= 0, iat=2631,2643, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 172 VAL HB 175 GLU HB3 4.84 (#peak 5867)
&rst
ixpk= 5867, nxpk= 0, iat=2631,2672, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 172 VAL N 175 GLU O 3.3
&rst
ixpk= 5867, nxpk= 0, iat=2626,2680, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 172 VAL QG1 173 ASP HN 5.04 (#peak 546)
&rst
ixpk= 546, nxpk= 0, iat= -1,2643, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2633,2634,2635,
&end
#
# 172 VAL QG2 173 ASP HN 4.73 (#peak 538)
&rst
ixpk= 538, nxpk= 0, iat= -1,2643, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=2637,2638,2639,
&end
#
# 172 VAL QG2 175 GLU HN 5.45 (#peak 2707)
&rst
ixpk= 2707, nxpk= 0, iat= -1,2667, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=2637,2638,2639,
&end
#
# 172 VAL QG2 177 CYS HB2 5.62 (#peak 4723)
&rst
ixpk= 4723, nxpk= 0, iat= -1,2705, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=2637,2638,2639,
&end
#
# 172 VAL QG2 177 CYS HB3 5.22 (#peak 6304)
&rst
ixpk= 6304, nxpk= 0, iat= -1,2706, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=2637,2638,2639,
&end
#
# 173 ASP HN 174 ASP HN 5.22 (#peak 1717)
&rst
ixpk= 1717, nxpk= 0, iat=2643,2655, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 173 ASP HA 175 GLU HN 4.92 (#peak 2709)
&rst
ixpk= 2709, nxpk= 0, iat=2645,2667, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 174 ASP HN 175 GLU HN 4.50 (#peak 568)
&rst
ixpk= 568, nxpk= 0, iat=2655,2667, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 174 ASP QB 175 GLU HN 4.03 (#peak 565)
&rst
ixpk= 565, nxpk= 0, iat= -1,2667, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=2659,2660,
&end
#
# 175 GLU HN 172 VAL O 2.4
&rst
ixpk= 565, nxpk= 0, iat=2667,2641, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 175 GLU HN 175 GLU HB2 4.03 (#peak 567)
&rst
ixpk= 567, nxpk= 0, iat=2667,2671, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 175 GLU HN 175 GLU HB3 4.06 (#peak 562)
&rst
ixpk= 562, nxpk= 0, iat=2667,2672, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 175 GLU HN 175 GLU QG 5.05 (#peak 560)
&rst
ixpk= 560, nxpk= 0, iat=2667, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2674,2675,
&end
#
# 175 GLU HN 176 LEU HN 4.98 (#peak 890)
&rst
ixpk= 890, nxpk= 0, iat=2667,2682, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 175 GLU HB2 175 GLU QG 2.48 (#peak 1493)
&rst
ixpk= 1493, nxpk= 0, iat=2671, -1, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,
igr2=2674,2675,
&end
#
# 175 GLU HB2 176 LEU HN 4.67 (#peak 898)
&rst
ixpk= 898, nxpk= 0, iat=2671,2682, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 175 GLU HB2 177 CYS HB2 6.11 (#peak 6470)
&rst
ixpk= 6470, nxpk= 0, iat=2671,2705, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 175 GLU HB2 177 CYS HB3 5.11 (#peak 6472)
&rst
ixpk= 6472, nxpk= 0, iat=2671,2706, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 175 GLU HB3 177 CYS HB2 6.10 (#peak 6471)
&rst
ixpk= 6471, nxpk= 0, iat=2672,2705, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 175 GLU HB3 177 CYS HB3 4.94 (#peak 6473)
&rst
ixpk= 6473, nxpk= 0, iat=2672,2706, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 175 GLU N 172 VAL O 3.3
&rst
ixpk= 6473, nxpk= 0, iat=2666,2641, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 175 GLU QG 176 LEU HN 5.19 (#peak 887)
&rst
ixpk= 887, nxpk= 0, iat= -1,2682, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=2674,2675,
&end
#
# 176 LEU HN 176 LEU HB2 3.77 (#peak 889)
&rst
ixpk= 889, nxpk= 0, iat=2682,2686, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 176 LEU HN 176 LEU HB3 3.89 (#peak 899)
&rst
ixpk= 899, nxpk= 0, iat=2682,2687, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 176 LEU HN 176 LEU HG 4.68 (#peak 891)
&rst
ixpk= 891, nxpk= 0, iat=2682,2689, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 176 LEU HN 176 LEU QD1 4.92 (#peak 894)
&rst
ixpk= 894, nxpk= 0, iat=2682, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=2691,2692,2693,
&end
#
# 176 LEU HN 176 LEU QD2 5.02 (#peak 893)
&rst
ixpk= 893, nxpk= 0, iat=2682, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=2695,2696,2697,
&end
#
# 176 LEU HN 177 CYS HN 5.53 (#peak 896)
&rst
ixpk= 896, nxpk= 0, iat=2682,2701, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 176 LEU HA 176 LEU QD1 3.81 (#peak 6319)
&rst
ixpk= 6319, nxpk= 0, iat=2684, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=2691,2692,2693,
&end
#
# 176 LEU HA 176 LEU QD2 4.83 (#peak 3039)
&rst
ixpk= 3039, nxpk= 0, iat=2684, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2695,2696,2697,
&end
#
# 176 LEU HA 178 GLY HN 5.47 (#peak 2579)
&rst
ixpk= 2579, nxpk= 0, iat=2684,2712, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 176 LEU HB2 176 LEU QD1 3.35 (#peak 2249)
&rst
ixpk= 2249, nxpk= 0, iat=2686, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=2691,2692,2693,
&end
#
# 176 LEU HB2 176 LEU QD2 3.84 (#peak 1730)
&rst
ixpk= 1730, nxpk= 0, iat=2686, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=2695,2696,2697,
&end
#
# 176 LEU HB2 177 CYS HN 6.15 (#peak 1424)
&rst
ixpk= 1424, nxpk= 0, iat=2686,2701, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 176 LEU HB3 176 LEU QD1 3.55 (#peak 2252)
&rst
ixpk= 2252, nxpk= 0, iat=2687, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=2691,2692,2693,
&end
#
# 176 LEU HB3 176 LEU QD2 3.45 (#peak 3691)
&rst
ixpk= 3691, nxpk= 0, iat=2687, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=2695,2696,2697,
&end
#
# 176 LEU HB3 177 CYS HN 5.94 (#peak 1434)
&rst
ixpk= 1434, nxpk= 0, iat=2687,2701, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 176 LEU HG 177 CYS HN 6.15 (#peak 1425)
&rst
ixpk= 1425, nxpk= 0, iat=2689,2701, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 176 LEU QD1 177 CYS HN 6.15 (#peak 1429)
&rst
ixpk= 1429, nxpk= 0, iat= -1,2701, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=2691,2692,2693,
&end
#
# 176 LEU QD1 178 GLY HN 5.33 (#peak 2714)
&rst
ixpk= 2714, nxpk= 0, iat= -1,2712, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=2691,2692,2693,
&end
#
# 176 LEU QD2 177 CYS HN 5.99 (#peak 1428)
&rst
ixpk= 1428, nxpk= 0, iat= -1,2701, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2695,2696,2697,
&end
#
# 177 CYS HN 170 VAL O 2.4
&rst
ixpk= 1428, nxpk= 0, iat=2701,2615, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 177 CYS HN 178 GLY HN 4.68 (#peak 1510)
&rst
ixpk= 1510, nxpk= 0, iat=2701,2712, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 177 CYS HA 178 GLY HA2 6.15 (#peak 4725)
&rst
ixpk= 4725, nxpk= 0, iat=2703,2714, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 177 CYS HA 178 GLY HA3 6.15 (#peak 4726)
&rst
ixpk= 4726, nxpk= 0, iat=2703,2715, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 177 CYS HB2 178 GLY HN 5.03 (#peak 1504)
&rst
ixpk= 1504, nxpk= 0, iat=2705,2712, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 177 CYS HB3 178 GLY HN 5.16 (#peak 1512)
&rst
ixpk= 1512, nxpk= 0, iat=2706,2712, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 177 CYS N 170 VAL O 3.3
&rst
ixpk= 1512, nxpk= 0, iat=2700,2615, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 178 GLY HN 179 LEU HN 5.37 (#peak 1513)
&rst
ixpk= 1513, nxpk= 0, iat=2712,2719, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 178 GLY HA2 179 LEU QD2 4.86 (#peak 5825)
&rst
ixpk= 5825, nxpk= 0, iat=2714, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=2732,2733,2734,
&end
#
# 178 GLY HA3 179 LEU QD2 4.60 (#peak 5824)
&rst
ixpk= 5824, nxpk= 0, iat=2715, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2732,2733,2734,
&end
#
# 179 LEU HN 14 LYS O 2.4
&rst
ixpk= 5824, nxpk= 0, iat=2719, 217, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 179 LEU HN 179 LEU QD1 6.15 (#peak 2068)
&rst
ixpk= 2068, nxpk= 0, iat=2719, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2728,2729,2730,
&end
#
# 179 LEU HN 180 ILE HN 5.23 (#peak 1848)
&rst
ixpk= 1848, nxpk= 0, iat=2719,2738, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 179 LEU HA 179 LEU QD1 4.11 (#peak 2428)
&rst
ixpk= 2428, nxpk= 0, iat=2721, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=2728,2729,2730,
&end
#
# 179 LEU HA 179 LEU QD2 3.98 (#peak 2431)
&rst
ixpk= 2431, nxpk= 0, iat=2721, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=2732,2733,2734,
&end
#
# 179 LEU HB2 179 LEU QD1 4.14 (#peak 378)
&rst
ixpk= 378, nxpk= 0, iat=2723, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2728,2729,2730,
&end
#
# 179 LEU HB2 179 LEU QD2 3.20 (#peak 1617)
&rst
ixpk= 1617, nxpk= 0, iat=2723, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=2732,2733,2734,
&end
#
# 179 LEU HB2 180 ILE HN 5.86 (#peak 1839)
&rst
ixpk= 1839, nxpk= 0, iat=2723,2738, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 179 LEU HB3 179 LEU QD2 3.32 (#peak 1611)
&rst
ixpk= 1611, nxpk= 0, iat=2724, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=2732,2733,2734,
&end
#
# 179 LEU HB3 180 ILE HN 6.15 (#peak 1845)
&rst
ixpk= 1845, nxpk= 0, iat=2724,2738, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 179 LEU N 14 LYS O 3.3
&rst
ixpk= 1845, nxpk= 0, iat=2718, 217, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 179 LEU QD1 180 ILE HN 5.22 (#peak 1844)
&rst
ixpk= 1844, nxpk= 0, iat= -1,2738, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=2728,2729,2730,
&end
#
# 179 LEU QD2 180 ILE HN 6.15 (#peak 1846)
&rst
ixpk= 1846, nxpk= 0, iat= -1,2738, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=2732,2733,2734,
&end
#
# 180 ILE HN 168 VAL O 2.4
&rst
ixpk= 1846, nxpk= 0, iat=2738,2580, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 180 ILE HN 180 ILE HG12 5.71 (#peak 1843)
&rst
ixpk= 1843, nxpk= 0, iat=2738,2748, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 180 ILE HN 180 ILE QD1 6.15 (#peak 1840)
&rst
ixpk= 1840, nxpk= 0, iat=2738, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2751,2752,2753,
&end
#
# 180 ILE HN 180 ILE QG2 5.25 (#peak 1841)
&rst
ixpk= 1841, nxpk= 0, iat=2738, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=2744,2745,2746,
&end
#
# 180 ILE HN 181 ALA HN 5.73 (#peak 1842)
&rst
ixpk= 1842, nxpk= 0, iat=2738,2757, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 180 ILE HA 180 ILE QD1 4.13 (#peak 3411)
&rst
ixpk= 3411, nxpk= 0, iat=2740, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2751,2752,2753,
&end
#
# 180 ILE HA 181 ALA QB 5.93 (#peak 6043)
&rst
ixpk= 6043, nxpk= 0, iat=2740, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2=2761,2762,2763,
&end
#
# 180 ILE HB 180 ILE QD1 3.85 (#peak 2772)
&rst
ixpk= 2772, nxpk= 0, iat=2742, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=2751,2752,2753,
&end
#
# 180 ILE HB 181 ALA HN 5.52 (#peak 1260)
&rst
ixpk= 1260, nxpk= 0, iat=2742,2757, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 180 ILE HB 181 ALA HA 6.15 (#peak 6045)
&rst
ixpk= 6045, nxpk= 0, iat=2742,2759, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 180 ILE HG12 181 ALA HN 5.69 (#peak 1269)
&rst
ixpk= 1269, nxpk= 0, iat=2748,2757, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 180 ILE N 168 VAL O 3.3
&rst
ixpk= 1269, nxpk= 0, iat=2737,2580, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 180 ILE QG2 180 ILE HG12 3.43 (#peak 2340)
&rst
ixpk= 2340, nxpk= 0, iat= -1,2748, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=2744,2745,2746,
&end
#
# 180 ILE QG2 180 ILE QD1 2.42 (#peak 1055)
&rst
ixpk= 1055, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1=2744,2745,2746,
igr2=2751,2752,2753,
&end
#
# 180 ILE QG2 181 ALA HN 4.48 (#peak 1266)
&rst
ixpk= 1266, nxpk= 0, iat= -1,2757, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=2744,2745,2746,
&end
#
# 180 ILE QG2 181 ALA HA 6.02 (#peak 6044)
&rst
ixpk= 6044, nxpk= 0, iat= -1,2759, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1=2744,2745,2746,
&end
#
# 181 ALA HN 12 GLN O 2.4
&rst
ixpk= 6044, nxpk= 0, iat=2757, 179, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 181 ALA HN 182 ILE HN 5.10 (#peak 454)
&rst
ixpk= 454, nxpk= 0, iat=2757,2767, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 181 ALA HA 182 ILE QD1 5.25 (#peak 5842)
&rst
ixpk= 5842, nxpk= 0, iat=2759, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=2780,2781,2782,
&end
#
# 181 ALA N 12 GLN O 3.3
&rst
ixpk= 5842, nxpk= 0, iat=2756, 179, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 181 ALA QB 182 ILE HN 6.15 (#peak 457)
&rst
ixpk= 457, nxpk= 0, iat= -1,2767, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=2761,2762,2763,
&end
#
# 182 ILE HN 182 ILE HG12 4.57 (#peak 456)
&rst
ixpk= 456, nxpk= 0, iat=2767,2777, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 182 ILE HN 182 ILE HG13 5.76 (#peak 447)
&rst
ixpk= 447, nxpk= 0, iat=2767,2778, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 182 ILE HN 182 ILE QD1 5.81 (#peak 444)
&rst
ixpk= 444, nxpk= 0, iat=2767, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2=2780,2781,2782,
&end
#
# 182 ILE HN 182 ILE QG2 6.15 (#peak 450)
&rst
ixpk= 450, nxpk= 0, iat=2767, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2773,2774,2775,
&end
#
# 182 ILE HN 183 ALA HN 4.83 (#peak 449)
&rst
ixpk= 449, nxpk= 0, iat=2767,2786, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 182 ILE HA 182 ILE QD1 4.30 (#peak 1452)
&rst
ixpk= 1452, nxpk= 0, iat=2769, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2780,2781,2782,
&end
#
# 182 ILE HA 182 ILE QG2 4.18 (#peak 3911)
&rst
ixpk= 3911, nxpk= 0, iat=2769, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2773,2774,2775,
&end
#
# 182 ILE HA 183 ALA QB 4.66 (#peak 5841)
&rst
ixpk= 5841, nxpk= 0, iat=2769, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=2790,2791,2792,
&end
#
# 182 ILE HB 182 ILE QD1 4.25 (#peak 1449)
&rst
ixpk= 1449, nxpk= 0, iat=2771, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=2780,2781,2782,
&end
#
# 182 ILE HB 183 ALA HN 4.52 (#peak 921)
&rst
ixpk= 921, nxpk= 0, iat=2771,2786, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 182 ILE QD1 183 ALA HN 6.15 (#peak 2566)
&rst
ixpk= 2566, nxpk= 0, iat= -1,2786, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=2780,2781,2782,
&end
#
# 182 ILE QG2 182 ILE HG12 3.93 (#peak 3913)
&rst
ixpk= 3913, nxpk= 0, iat= -1,2777, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2773,2774,2775,
&end
#
# 182 ILE QG2 182 ILE HG13 3.84 (#peak 1106)
&rst
ixpk= 1106, nxpk= 0, iat= -1,2778, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=2773,2774,2775,
&end
#
# 182 ILE QG2 182 ILE QD1 3.01 (#peak 3910)
&rst
ixpk= 3910, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=2773,2774,2775,
igr2=2780,2781,2782,
&end
#
# 182 ILE QG2 183 ALA HN 4.47 (#peak 918)
&rst
ixpk= 918, nxpk= 0, iat= -1,2786, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=2773,2774,2775,
&end
#
# 183 ALA HN 183 ALA QB 3.48 (#peak 916)
&rst
ixpk= 916, nxpk= 0, iat=2786, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=2790,2791,2792,
&end
#
# 183 ALA HN 184 ASP HN 4.50 (#peak 910)
&rst
ixpk= 910, nxpk= 0, iat=2786,2796, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 183 ALA HA 184 ASP HN 3.35 (#peak 30)
&rst
ixpk= 30, nxpk= 0, iat=2788,2796, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 183 ALA QB 184 ASP HN 3.92 (#peak 28)
&rst
ixpk= 28, nxpk= 0, iat= -1,2796, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=2790,2791,2792,
&end
#
# 183 ALA QB 185 THR HN 5.77 (#peak 2517)
&rst
ixpk= 2517, nxpk= 0, iat= -1,2808, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2790,2791,2792,
&end
#
# 184 ASP HN 184 ASP HB2 4.19 (#peak 27)
&rst
ixpk= 27, nxpk= 0, iat=2796,2800, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 184 ASP HN 184 ASP HB3 4.00 (#peak 31)
&rst
ixpk= 31, nxpk= 0, iat=2796,2801, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 184 ASP HN 185 THR HN 5.88 (#peak 32)
&rst
ixpk= 32, nxpk= 0, iat=2796,2808, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 184 ASP HB2 185 THR HN 6.15 (#peak 1899)
&rst
ixpk= 1899, nxpk= 0, iat=2800,2808, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 184 ASP HB3 185 THR HN 5.97 (#peak 1903)
&rst
ixpk= 1903, nxpk= 0, iat=2801,2808, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 185 THR HN 185 THR QG2 5.92 (#peak 1901)
&rst
ixpk= 1901, nxpk= 0, iat=2808, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr2=2814,2815,2816,
&end
#
# 185 THR HA 185 THR QG2 3.99 (#peak 797)
&rst
ixpk= 797, nxpk= 0, iat=2810, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=2814,2815,2816,
&end
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