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 |
|
|
480566 |
2kmx   |
16441 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 2 PHE HN 2 PHE HB3 3.96 (#peak 831)
&rst
ixpk= 831, nxpk= 0, iat= 15, 20, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
&end
#
# 2 PHE HN 3 THR HN 5.64 (#peak 828)
&rst
ixpk= 828, nxpk= 0, iat= 15, 35, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 2 PHE HB2 3 THR HN 4.28 (#peak 802)
&rst
ixpk= 802, nxpk= 0, iat= 19, 35, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 2 PHE HB3 3 THR HN 5.02 (#peak 805)
&rst
ixpk= 805, nxpk= 0, iat= 20, 35, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 3 THR HN 3 THR HB 3.72 (#peak 804)
&rst
ixpk= 804, nxpk= 0, iat= 35, 39, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 3 THR HN 3 THR QG2 3.87 (#peak 799)
&rst
ixpk= 799, nxpk= 0, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 41, 42, 43,
&end
#
# 3 THR HA 3 THR QG2 3.40 (#peak 5919)
&rst
ixpk= 5919, nxpk= 0, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 41, 42, 43,
&end
#
# 3 THR HB 4 MET HN 4.00 (#peak 2240)
&rst
ixpk= 2240, nxpk= 0, iat= 39, 49, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 THR HB 4 MET HB3 6.02 (#peak 3084)
&rst
ixpk= 3084, nxpk= 0, iat= 39, 54, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 3 THR QG2 4 MET HN 4.35 (#peak 2234)
&rst
ixpk= 2234, nxpk= 0, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 41, 42, 43,
&end
#
# 3 THR QG2 4 MET HA 4.28 (#peak 5918)
&rst
ixpk= 5918, nxpk= 0, iat= -1, 51, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 41, 42, 43,
&end
#
# 3 THR QG2 4 MET HB3 4.42 (#peak 6634)
&rst
ixpk= 6634, nxpk= 0, iat= -1, 54, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 41, 42, 43,
&end
#
# 3 THR QG2 5 HIS HN 6.15 (#peak 2569)
&rst
ixpk= 2569, nxpk= 0, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 41, 42, 43,
&end
#
# 4 MET HN 4 MET HB3 3.92 (#peak 2236)
&rst
ixpk= 2236, nxpk= 0, iat= 49, 54, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 4 MET HN 4 MET QE 4.90 (#peak 2237)
&rst
ixpk= 2237, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 60, 61, 62,
&end
#
# 4 MET HN 4 MET QG 4.41 (#peak 2238)
&rst
ixpk= 2238, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 56, 57,
&end
#
# 4 MET HA 4 MET QE 4.42 (#peak 3580)
&rst
ixpk= 3580, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 60, 61, 62,
&end
#
# 4 MET HA 4 MET QG 3.49 (#peak 4505)
&rst
ixpk= 4505, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 56, 57,
&end
#
# 4 MET HA 5 HIS HA 5.30 (#peak 3945)
&rst
ixpk= 3945, nxpk= 0, iat= 51, 68, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 4 MET HB2 4 MET QE 4.04 (#peak 3573)
&rst
ixpk= 3573, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 60, 61, 62,
&end
#
# 4 MET HB3 4 MET QE 3.85 (#peak 3574)
&rst
ixpk= 3574, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 60, 61, 62,
&end
#
# 4 MET HB3 5 HIS HN 5.51 (#peak 1141)
&rst
ixpk= 1141, nxpk= 0, iat= 54, 66, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 4 MET HB3 6 GLY HN 6.15 (#peak 852)
&rst
ixpk= 852, nxpk= 0, iat= 54, 83, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 4 MET QE 5 HIS HN 5.49 (#peak 1142)
&rst
ixpk= 1142, nxpk= 0, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 60, 61, 62,
&end
#
# 4 MET QE 5 HIS HA 4.05 (#peak 3943)
&rst
ixpk= 3943, nxpk= 0, iat= -1, 68, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 60, 61, 62,
&end
#
# 4 MET QG 4 MET QE 3.06 (#peak 2380)
&rst
ixpk= 2380, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 56, 57,
igr2= 60, 61, 62,
&end
#
# 4 MET QG 5 HIS HN 5.31 (#peak 1143)
&rst
ixpk= 1143, nxpk= 0, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 56, 57,
&end
#
# 4 MET QG 5 HIS HA 4.78 (#peak 3940)
&rst
ixpk= 3940, nxpk= 0, iat= -1, 68, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 56, 57,
&end
#
# 4 MET QG 6 GLY HN 6.03 (#peak 853)
&rst
ixpk= 853, nxpk= 0, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 56, 57,
&end
#
# 5 HIS HN 5 HIS HD2 6.15 (#peak 2838)
&rst
ixpk= 2838, nxpk= 0, iat= 66, 79, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 5 HIS HN 6 GLY HN 4.09 (#peak 851)
&rst
ixpk= 851, nxpk= 0, iat= 66, 83, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 5 HIS HB2 5 HIS HD2 3.75 (#peak 7035)
&rst
ixpk= 7035, nxpk= 0, iat= 70, 79, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 5 HIS HB2 6 GLY HN 4.74 (#peak 849)
&rst
ixpk= 849, nxpk= 0, iat= 70, 83, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 5 HIS HB2 6 GLY HA2 4.53 (#peak 508)
&rst
ixpk= 508, nxpk= 0, iat= 70, 85, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 5 HIS HB3 6 GLY HN 4.71 (#peak 854)
&rst
ixpk= 854, nxpk= 0, iat= 71, 83, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 5 HIS HB3 6 GLY HA2 4.81 (#peak 5201)
&rst
ixpk= 5201, nxpk= 0, iat= 71, 85, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 6 GLY HN 7 THR HN 5.37 (#peak 1952)
&rst
ixpk= 1952, nxpk= 0, iat= 83, 90, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 7 THR HN 185 THR HN 4.39 (#peak 2714)
&rst
ixpk= 2714, nxpk= 0, iat= 90,2808, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 7 THR HN 7 THR QG2 4.76 (#peak 1953)
&rst
ixpk= 1953, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 96, 97, 98,
&end
#
# 7 THR HN 9 VAL QQG 6.15 (#peak 1956)
&rst
ixpk= 1956, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 7 THR HA 7 THR QG2 3.14 (#peak 2446)
&rst
ixpk= 2446, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 96, 97, 98,
&end
#
# 7 THR HA 8 PRO HB3 5.23 (#peak 6379)
&rst
ixpk= 6379, nxpk= 0, iat= 92, 112, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 7 THR HA 8 PRO HD2 3.28 (#peak 1911)
&rst
ixpk= 1911, nxpk= 0, iat= 92, 105, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 7 THR HA 8 PRO HD3 3.18 (#peak 1376)
&rst
ixpk= 1376, nxpk= 0, iat= 92, 106, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 7 THR HA 8 PRO QG 3.98 (#peak 4845)
&rst
ixpk= 4845, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 108, 109,
&end
#
# 7 THR QG2 8 PRO HD2 3.25 (#peak 2450)
&rst
ixpk= 2450, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 96, 97, 98,
&end
#
# 7 THR QG2 8 PRO HD3 3.85 (#peak 2445)
&rst
ixpk= 2445, nxpk= 0, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 96, 97, 98,
&end
#
# 8 PRO HB2 182 ILE QG2 4.38 (#peak 6856)
&rst
ixpk= 6856, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=2773,2774,2775,
&end
#
# 8 PRO HB2 42 LEU QD2 4.07 (#peak 7097)
&rst
ixpk= 7097, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 642, 643, 644,
&end
#
# 8 PRO HB3 182 ILE QG2 4.34 (#peak 6855)
&rst
ixpk= 6855, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2773,2774,2775,
&end
#
# 8 PRO HB3 42 LEU QD2 4.26 (#peak 7096)
&rst
ixpk= 7096, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 642, 643, 644,
&end
#
# 8 PRO HB3 9 VAL HN 4.57 (#peak 1218)
&rst
ixpk= 1218, nxpk= 0, iat= 112, 118, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 8 PRO QG 185 THR QG2 5.45 (#peak 6678)
&rst
ixpk= 6678, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 108, 109,
igr2=2814,2815,2816,
&end
#
# 9 VAL HN 182 ILE QG2 3.43 (#peak 3842)
&rst
ixpk= 3842, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=2773,2774,2775,
&end
#
# 9 VAL HN 183 ALA HN 6.08 (#peak 674)
&rst
ixpk= 674, nxpk= 0, iat= 118,2786, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 9 VAL HN 183 ALA QB 4.56 (#peak 2845)
&rst
ixpk= 2845, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2790,2791,2792,
&end
#
# 9 VAL HN 184 ASP HA 5.14 (#peak 2782)
&rst
ixpk= 2782, nxpk= 0, iat= 118,2798, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 9 VAL HN 9 VAL HB 3.90 (#peak 1215)
&rst
ixpk= 1215, nxpk= 0, iat= 118, 122, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 9 VAL HN 9 VAL QQG 3.51 (#peak 1216)
&rst
ixpk= 1216, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 9 VAL HA 10 VAL QG1 4.14 (#peak 970)
&rst
ixpk= 970, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 140, 141, 142,
&end
#
# 9 VAL HA 9 VAL QQG 2.98 (#peak 3393)
&rst
ixpk= 3393, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 9 VAL HB 10 VAL HN 5.78 (#peak 61)
&rst
ixpk= 61, nxpk= 0, iat= 122, 134, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 9 VAL HB 183 ALA QB 4.56 (#peak 6974)
&rst
ixpk= 6974, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2790,2791,2792,
&end
#
# 9 VAL QQG 10 VAL HN 4.51 (#peak 62)
&rst
ixpk= 62, nxpk= 0, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 9 VAL QQG 10 VAL HA 4.40 (#peak 209)
&rst
ixpk= 209, nxpk= 0, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 9 VAL QQG 11 ASN HD21 6.15 (#peak 2586)
&rst
ixpk= 2586, nxpk= 0, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 9 VAL QQG 11 ASN HD22 6.15 (#peak 2587)
&rst
ixpk= 2587, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 9 VAL QQG 183 ALA HN 5.54 (#peak 679)
&rst
ixpk= 679, nxpk= 0, iat= -1,2786, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 9 VAL QQG 183 ALA QB 3.13 (#peak 6973)
&rst
ixpk= 6973, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 124, 125, 126, 128, 129, 130,
igr2=2790,2791,2792,
&end
#
# 9 VAL QQG 184 ASP HN 5.64 (#peak 2702)
&rst
ixpk= 2702, nxpk= 0, iat= -1,2796, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 10 VAL HN 10 VAL QG1 3.17 (#peak 57)
&rst
ixpk= 57, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 140, 141, 142,
&end
#
# 10 VAL HN 10 VAL QG2 4.07 (#peak 60)
&rst
ixpk= 60, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 144, 145, 146,
&end
#
# 10 VAL HN 11 ASN HN 4.87 (#peak 63)
&rst
ixpk= 63, nxpk= 0, iat= 134, 150, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 10 VAL HA 10 VAL QG1 3.17 (#peak 960)
&rst
ixpk= 960, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 140, 141, 142,
&end
#
# 10 VAL HA 10 VAL QG2 3.51 (#peak 3526)
&rst
ixpk= 3526, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 144, 145, 146,
&end
#
# 10 VAL HA 11 ASN HN 3.43 (#peak 2522)
&rst
ixpk= 2522, nxpk= 0, iat= 136, 150, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 10 VAL HA 12 GLN HN 5.96 (#peak 2017)
&rst
ixpk= 2017, nxpk= 0, iat= 136, 164, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 10 VAL HA 183 ALA HN 4.68 (#peak 683)
&rst
ixpk= 683, nxpk= 0, iat= 136,2786, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 10 VAL HB 11 ASN HN 4.75 (#peak 2513)
&rst
ixpk= 2513, nxpk= 0, iat= 138, 150, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 10 VAL HB 12 GLN HN 5.95 (#peak 2004)
&rst
ixpk= 2004, nxpk= 0, iat= 138, 164, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 10 VAL QG1 11 ASN HN 4.88 (#peak 2510)
&rst
ixpk= 2510, nxpk= 0, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 140, 141, 142,
&end
#
# 10 VAL QG1 45 ALA QB 3.43 (#peak 6979)
&rst
ixpk= 6979, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 140, 141, 142,
igr2= 673, 674, 675,
&end
#
# 10 VAL QG1 49 TYR HN 5.23 (#peak 2695)
&rst
ixpk= 2695, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 140, 141, 142,
&end
#
# 10 VAL QG1 49 TYR HB3 4.31 (#peak 6606)
&rst
ixpk= 6606, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 140, 141, 142,
&end
#
# 10 VAL QG1 49 TYR QD 4.10 (#peak 6601)
&rst
ixpk= 6601, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 140, 141, 142,
igr2= 742, 751,
&end
#
# 10 VAL QG1 49 TYR QE 4.35 (#peak 6820)
&rst
ixpk= 6820, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 140, 141, 142,
igr2= 744, 749,
&end
#
# 10 VAL QG2 11 ASN HN 5.14 (#peak 2514)
&rst
ixpk= 2514, nxpk= 0, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 144, 145, 146,
&end
#
# 10 VAL QG2 11 ASN HD21 6.15 (#peak 1885)
&rst
ixpk= 1885, nxpk= 0, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 144, 145, 146,
&end
#
# 10 VAL QG2 12 GLN HN 5.38 (#peak 2006)
&rst
ixpk= 2006, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 144, 145, 146,
&end
#
# 10 VAL QG2 13 VAL HN 6.15 (#peak 1548)
&rst
ixpk= 1548, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 144, 145, 146,
&end
#
# 10 VAL QG2 180 ILE QG2 3.16 (#peak 7089)
&rst
ixpk= 7089, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 144, 145, 146,
igr2=2744,2745,2746,
&end
#
# 10 VAL QG2 182 ILE HA 4.38 (#peak 6603)
&rst
ixpk= 6603, nxpk= 0, iat= -1,2769, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 144, 145, 146,
&end
#
# 10 VAL QG2 182 ILE HG12 5.57 (#peak 6825)
&rst
ixpk= 6825, nxpk= 0, iat= -1,2777, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 144, 145, 146,
&end
#
# 10 VAL QG2 182 ILE QD1 3.48 (#peak 6978)
&rst
ixpk= 6978, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 144, 145, 146,
igr2=2780,2781,2782,
&end
#
# 10 VAL QG2 49 TYR HB3 5.10 (#peak 6604)
&rst
ixpk= 6604, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 144, 145, 146,
&end
#
# 10 VAL QG2 49 TYR QD 3.53 (#peak 6609)
&rst
ixpk= 6609, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 144, 145, 146,
igr2= 742, 751,
&end
#
# 10 VAL QG2 49 TYR QE 3.89 (#peak 6611)
&rst
ixpk= 6611, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 144, 145, 146,
igr2= 744, 749,
&end
#
# 11 ASN HN 11 ASN HB2 4.00 (#peak 2519)
&rst
ixpk= 2519, nxpk= 0, iat= 150, 154, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 11 ASN HN 11 ASN HB3 4.05 (#peak 2517)
&rst
ixpk= 2517, nxpk= 0, iat= 150, 155, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 11 ASN HN 11 ASN HD21 4.90 (#peak 1889)
&rst
ixpk= 1889, nxpk= 0, iat= 150, 159, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 11 ASN HN 11 ASN HD22 6.15 (#peak 2512)
&rst
ixpk= 2512, nxpk= 0, iat= 150, 160, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 11 ASN HN 12 GLN HN 4.35 (#peak 2516)
&rst
ixpk= 2516, nxpk= 0, iat= 150, 164, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 11 ASN HN 12 GLN HA 5.81 (#peak 2584)
&rst
ixpk= 2584, nxpk= 0, iat= 150, 166, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 11 ASN HA 11 ASN HD21 4.16 (#peak 4852)
&rst
ixpk= 4852, nxpk= 0, iat= 152, 159, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 11 ASN HA 11 ASN HD22 5.00 (#peak 692)
&rst
ixpk= 692, nxpk= 0, iat= 152, 160, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 ASN HB2 11 ASN HD21 3.58 (#peak 4082)
&rst
ixpk= 4082, nxpk= 0, iat= 154, 159, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 11 ASN HB2 12 GLN HN 4.51 (#peak 2012)
&rst
ixpk= 2012, nxpk= 0, iat= 154, 164, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 11 ASN HB2 182 ILE QG2 4.34 (#peak 6629)
&rst
ixpk= 6629, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2773,2774,2775,
&end
#
# 11 ASN HB2 183 ALA HN 5.76 (#peak 682)
&rst
ixpk= 682, nxpk= 0, iat= 154,2786, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 11 ASN HB3 11 ASN HD21 4.05 (#peak 1887)
&rst
ixpk= 1887, nxpk= 0, iat= 155, 159, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 11 ASN HB3 12 GLN HN 4.26 (#peak 2010)
&rst
ixpk= 2010, nxpk= 0, iat= 155, 164, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 11 ASN HB3 182 ILE HA 3.97 (#peak 6725)
&rst
ixpk= 6725, nxpk= 0, iat= 155,2769, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 11 ASN HD21 183 ALA QB 4.50 (#peak 2799)
&rst
ixpk= 2799, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2790,2791,2792,
&end
#
# 11 ASN HD22 183 ALA QB 4.49 (#peak 2800)
&rst
ixpk= 2800, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2790,2791,2792,
&end
#
# 12 GLN HN 12 GLN HB2 3.73 (#peak 2016)
&rst
ixpk= 2016, nxpk= 0, iat= 164, 168, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 12 GLN HN 12 GLN HB3 3.85 (#peak 2013)
&rst
ixpk= 2013, nxpk= 0, iat= 164, 169, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 12 GLN HN 12 GLN HG2 4.82 (#peak 2002)
&rst
ixpk= 2002, nxpk= 0, iat= 164, 171, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 12 GLN HN 12 GLN HG3 4.74 (#peak 2011)
&rst
ixpk= 2011, nxpk= 0, iat= 164, 172, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 12 GLN HN 13 VAL HN 5.01 (#peak 2005)
&rst
ixpk= 2005, nxpk= 0, iat= 164, 181, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 12 GLN HN 181 ALA HN 4.39 (#peak 2548)
&rst
ixpk= 2548, nxpk= 0, iat= 164,2757, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 12 GLN HN 181 ALA O 2.4
&rst
ixpk= 2548, nxpk= 0, iat= 164,2765, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 12 GLN HN 181 ALA QB 4.30 (#peak 2008)
&rst
ixpk= 2008, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2761,2762,2763,
&end
#
# 12 GLN HA 12 GLN HG2 3.09 (#peak 1405)
&rst
ixpk= 1405, nxpk= 0, iat= 166, 171, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 12 GLN HA 12 GLN HG3 3.52 (#peak 4250)
&rst
ixpk= 4250, nxpk= 0, iat= 166, 172, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 12 GLN HA 13 VAL HN 2.78 (#peak 1544)
&rst
ixpk= 1544, nxpk= 0, iat= 166, 181, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 12 GLN HB2 12 GLN HG2 3.01 (#peak 142)
&rst
ixpk= 142, nxpk= 0, iat= 168, 171, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 12 GLN HB2 12 GLN HG3 2.40 (#peak 4249)
&rst
ixpk= 4249, nxpk= 0, iat= 168, 172, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 12 GLN HB2 181 ALA HN 5.59 (#peak 2854)
&rst
ixpk= 2854, nxpk= 0, iat= 168,2757, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 12 GLN HB2 181 ALA QB 3.01 (#peak 6594)
&rst
ixpk= 6594, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=2761,2762,2763,
&end
#
# 12 GLN HB3 12 GLN HG2 2.69 (#peak 4967)
&rst
ixpk= 4967, nxpk= 0, iat= 169, 171, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 12 GLN HB3 13 VAL HN 4.32 (#peak 1553)
&rst
ixpk= 1553, nxpk= 0, iat= 169, 181, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 12 GLN HB3 181 ALA HN 5.14 (#peak 228)
&rst
ixpk= 228, nxpk= 0, iat= 169,2757, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 12 GLN HB3 181 ALA QB 3.17 (#peak 4969)
&rst
ixpk= 4969, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=2761,2762,2763,
&end
#
# 12 GLN HG2 13 VAL HN 4.17 (#peak 1543)
&rst
ixpk= 1543, nxpk= 0, iat= 171, 181, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 12 GLN N 181 ALA O 3.3
&rst
ixpk= 1543, nxpk= 0, iat= 163,2765, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 13 VAL HN 13 VAL QG1 4.09 (#peak 1542)
&rst
ixpk= 1542, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 187, 188, 189,
&end
#
# 13 VAL HN 13 VAL QG2 3.54 (#peak 1540)
&rst
ixpk= 1540, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 191, 192, 193,
&end
#
# 13 VAL HN 14 LYS HN 5.27 (#peak 1546)
&rst
ixpk= 1546, nxpk= 0, iat= 181, 197, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 13 VAL HA 13 VAL QG1 3.06 (#peak 41)
&rst
ixpk= 41, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 187, 188, 189,
&end
#
# 13 VAL HA 13 VAL QG2 3.31 (#peak 5123)
&rst
ixpk= 5123, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 191, 192, 193,
&end
#
# 13 VAL HA 180 ILE HA 3.00 (#peak 3059)
&rst
ixpk= 3059, nxpk= 0, iat= 183,2740, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 13 VAL HA 180 ILE QG2 3.77 (#peak 6934)
&rst
ixpk= 6934, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=2744,2745,2746,
&end
#
# 13 VAL HA 181 ALA HN 4.21 (#peak 2857)
&rst
ixpk= 2857, nxpk= 0, iat= 183,2757, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 13 VAL HB 14 LYS HN 4.20 (#peak 1414)
&rst
ixpk= 1414, nxpk= 0, iat= 185, 197, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 13 VAL HB 14 LYS HA 4.89 (#peak 659)
&rst
ixpk= 659, nxpk= 0, iat= 185, 199, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 13 VAL HB 180 ILE HG12 4.90 (#peak 3518)
&rst
ixpk= 3518, nxpk= 0, iat= 185,2748, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 13 VAL HB 180 ILE QD1 4.31 (#peak 6673)
&rst
ixpk= 6673, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=2751,2752,2753,
&end
#
# 13 VAL HB 180 ILE QG2 4.37 (#peak 6674)
&rst
ixpk= 6674, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=2744,2745,2746,
&end
#
# 13 VAL QG1 14 LYS HN 4.50 (#peak 1409)
&rst
ixpk= 1409, nxpk= 0, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 187, 188, 189,
&end
#
# 13 VAL QG1 181 ALA HN 4.34 (#peak 2858)
&rst
ixpk= 2858, nxpk= 0, iat= -1,2757, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 187, 188, 189,
&end
#
# 13 VAL QG1 49 TYR QD 4.26 (#peak 6610)
&rst
ixpk= 6610, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 187, 188, 189,
igr2= 742, 751,
&end
#
# 13 VAL QG1 49 TYR QE 3.66 (#peak 6614)
&rst
ixpk= 6614, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 187, 188, 189,
igr2= 744, 749,
&end
#
# 13 VAL QG2 14 LYS HN 4.56 (#peak 1406)
&rst
ixpk= 1406, nxpk= 0, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 191, 192, 193,
&end
#
# 13 VAL QG2 49 TYR QE 5.07 (#peak 6613)
&rst
ixpk= 6613, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 191, 192, 193,
igr2= 744, 749,
&end
#
# 14 LYS HN 14 LYS HD2 6.15 (#peak 1408)
&rst
ixpk= 1408, nxpk= 0, iat= 197, 207, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 14 LYS HN 14 LYS HD3 5.95 (#peak 1419)
&rst
ixpk= 1419, nxpk= 0, iat= 197, 208, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 14 LYS HN 14 LYS HG2 6.15 (#peak 1412)
&rst
ixpk= 1412, nxpk= 0, iat= 197, 204, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 14 LYS HN 14 LYS HG3 6.05 (#peak 1422)
&rst
ixpk= 1422, nxpk= 0, iat= 197, 205, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 14 LYS HN 15 VAL HN 4.72 (#peak 943)
&rst
ixpk= 943, nxpk= 0, iat= 197, 219, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 14 LYS HA 14 LYS HD2 4.69 (#peak 6016)
&rst
ixpk= 6016, nxpk= 0, iat= 199, 207, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 14 LYS HA 14 LYS HD3 4.39 (#peak 2452)
&rst
ixpk= 2452, nxpk= 0, iat= 199, 208, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 14 LYS HA 14 LYS HE2 4.51 (#peak 665)
&rst
ixpk= 665, nxpk= 0, iat= 199, 210, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 14 LYS HA 14 LYS HE3 5.20 (#peak 1719)
&rst
ixpk= 1719, nxpk= 0, iat= 199, 211, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 14 LYS HA 14 LYS HG2 4.07 (#peak 1304)
&rst
ixpk= 1304, nxpk= 0, iat= 199, 204, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 14 LYS HA 15 VAL HN 2.84 (#peak 938)
&rst
ixpk= 938, nxpk= 0, iat= 199, 219, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 14 LYS HA 15 VAL HA 4.43 (#peak 660)
&rst
ixpk= 660, nxpk= 0, iat= 199, 221, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 14 LYS HA 179 LEU QD2 5.81 (#peak 662)
&rst
ixpk= 662, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2=2732,2733,2734,
&end
#
# 14 LYS HB2 14 LYS HD2 3.92 (#peak 6023)
&rst
ixpk= 6023, nxpk= 0, iat= 201, 207, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 14 LYS HB2 14 LYS HD3 3.88 (#peak 4632)
&rst
ixpk= 4632, nxpk= 0, iat= 201, 208, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 14 LYS HB2 14 LYS HE2 4.72 (#peak 5210)
&rst
ixpk= 5210, nxpk= 0, iat= 201, 210, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 14 LYS HB2 14 LYS HE3 5.27 (#peak 1726)
&rst
ixpk= 1726, nxpk= 0, iat= 201, 211, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 14 LYS HB2 179 LEU HN 5.00 (#peak 2771)
&rst
ixpk= 2771, nxpk= 0, iat= 201,2719, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 LYS HB2 179 LEU QD2 3.60 (#peak 4919)
&rst
ixpk= 4919, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=2732,2733,2734,
&end
#
# 14 LYS HB3 14 LYS HD2 3.38 (#peak 6020)
&rst
ixpk= 6020, nxpk= 0, iat= 202, 207, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 14 LYS HB3 14 LYS HD3 3.07 (#peak 2457)
&rst
ixpk= 2457, nxpk= 0, iat= 202, 208, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 14 LYS HB3 14 LYS HE2 4.66 (#peak 5207)
&rst
ixpk= 5207, nxpk= 0, iat= 202, 210, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 14 LYS HB3 14 LYS HE3 4.99 (#peak 1723)
&rst
ixpk= 1723, nxpk= 0, iat= 202, 211, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 14 LYS HB3 15 VAL HN 4.44 (#peak 941)
&rst
ixpk= 941, nxpk= 0, iat= 202, 219, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 14 LYS HB3 179 LEU QD2 4.18 (#peak 1826)
&rst
ixpk= 1826, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2732,2733,2734,
&end
#
# 14 LYS HD2 15 VAL HN 5.24 (#peak 937)
&rst
ixpk= 937, nxpk= 0, iat= 207, 219, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 14 LYS HD2 179 LEU QD2 4.00 (#peak 6387)
&rst
ixpk= 6387, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
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 15 VAL HN 5.64 (#peak 945)
&rst
ixpk= 945, nxpk= 0, iat= 208, 219, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 14 LYS HD3 179 LEU QD2 2.94 (#peak 2461)
&rst
ixpk= 2461, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2732,2733,2734,
&end
#
# 14 LYS HE3 15 VAL HN 5.56 (#peak 942)
&rst
ixpk= 942, nxpk= 0, iat= 211, 219, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 14 LYS HE3 15 VAL HB 6.15 (#peak 6390)
&rst
ixpk= 6390, nxpk= 0, iat= 211, 223, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 14 LYS HG2 14 LYS HE2 3.31 (#peak 5205)
&rst
ixpk= 5205, nxpk= 0, iat= 204, 210, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 14 LYS HG2 14 LYS HE3 3.37 (#peak 1721)
&rst
ixpk= 1721, nxpk= 0, iat= 204, 211, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 14 LYS HG2 15 VAL HN 4.68 (#peak 940)
&rst
ixpk= 940, nxpk= 0, iat= 204, 219, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 14 LYS HG2 15 VAL HB 4.97 (#peak 1310)
&rst
ixpk= 1310, nxpk= 0, iat= 204, 223, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 14 LYS HG2 179 LEU QD2 4.14 (#peak 4907)
&rst
ixpk= 4907, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2732,2733,2734,
&end
#
# 14 LYS HG3 14 LYS HD2 2.87 (#peak 6024)
&rst
ixpk= 6024, nxpk= 0, iat= 205, 207, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 14 LYS HG3 14 LYS HE2 4.14 (#peak 5212)
&rst
ixpk= 5212, nxpk= 0, iat= 205, 210, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 14 LYS HG3 14 LYS HE3 4.02 (#peak 1728)
&rst
ixpk= 1728, nxpk= 0, iat= 205, 211, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 14 LYS HG3 15 VAL HN 4.06 (#peak 950)
&rst
ixpk= 950, nxpk= 0, iat= 205, 219, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 15 VAL HN 15 VAL HB 2.92 (#peak 944)
&rst
ixpk= 944, nxpk= 0, iat= 219, 223, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 15 VAL HN 15 VAL QG1 5.56 (#peak 951)
&rst
ixpk= 951, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2= 225, 226, 227,
&end
#
# 15 VAL HN 15 VAL QG2 4.17 (#peak 946)
&rst
ixpk= 946, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 229, 230, 231,
&end
#
# 15 VAL HN 16 LEU HN 5.45 (#peak 947)
&rst
ixpk= 947, nxpk= 0, iat= 219, 235, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 15 VAL HA 15 VAL QG1 3.25 (#peak 3208)
&rst
ixpk= 3208, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 225, 226, 227,
&end
#
# 15 VAL HA 15 VAL QG2 3.10 (#peak 2618)
&rst
ixpk= 2618, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 229, 230, 231,
&end
#
# 15 VAL HA 16 LEU HN 3.22 (#peak 1919)
&rst
ixpk= 1919, nxpk= 0, iat= 221, 235, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 15 VAL HA 16 LEU HB2 6.15 (#peak 6389)
&rst
ixpk= 6389, nxpk= 0, iat= 221, 239, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 15 VAL HA 16 LEU HB3 5.59 (#peak 6388)
&rst
ixpk= 6388, nxpk= 0, iat= 221, 240, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 15 VAL HA 178 GLY HA2 3.90 (#peak 2388)
&rst
ixpk= 2388, nxpk= 0, iat= 221,2714, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 15 VAL HA 178 GLY HA3 3.86 (#peak 3793)
&rst
ixpk= 3793, nxpk= 0, iat= 221,2715, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 15 VAL HA 179 LEU HN 4.09 (#peak 1581)
&rst
ixpk= 1581, nxpk= 0, iat= 221,2719, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 15 VAL HA 179 LEU QD2 3.93 (#peak 6882)
&rst
ixpk= 6882, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2732,2733,2734,
&end
#
# 15 VAL HB 16 LEU HN 4.80 (#peak 1912)
&rst
ixpk= 1912, nxpk= 0, iat= 223, 235, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 15 VAL HB 17 THR HN 6.15 (#peak 178)
&rst
ixpk= 178, nxpk= 0, iat= 223, 254, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 15 VAL QG1 16 LEU HN 4.64 (#peak 1920)
&rst
ixpk= 1920, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG1 177 CYS HA 4.81 (#peak 6938)
&rst
ixpk= 6938, nxpk= 0, iat= -1,2703, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG1 178 GLY HA2 5.18 (#peak 2393)
&rst
ixpk= 2393, nxpk= 0, iat= -1,2714, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG1 178 GLY HA3 6.01 (#peak 4769)
&rst
ixpk= 4769, nxpk= 0, iat= -1,2715, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG1 17 THR HN 6.04 (#peak 183)
&rst
ixpk= 183, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG1 27 ILE QD1 3.25 (#peak 6885)
&rst
ixpk= 6885, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 225, 226, 227,
igr2= 431, 432, 433,
&end
#
# 15 VAL QG2 16 LEU HN 5.02 (#peak 1916)
&rst
ixpk= 1916, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 229, 230, 231,
&end
#
# 15 VAL QG2 178 GLY HA2 5.20 (#peak 2386)
&rst
ixpk= 2386, nxpk= 0, iat= -1,2714, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 229, 230, 231,
&end
#
# 15 VAL QG2 178 GLY HA3 4.27 (#peak 3790)
&rst
ixpk= 3790, nxpk= 0, iat= -1,2715, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 229, 230, 231,
&end
#
# 15 VAL QG2 24 HIS HA 3.11 (#peak 6915)
&rst
ixpk= 6915, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 229, 230, 231,
&end
#
# 15 VAL QG2 27 ILE QD1 2.72 (#peak 6884)
&rst
ixpk= 6884, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 229, 230, 231,
igr2= 431, 432, 433,
&end
#
# 16 LEU HN 16 LEU HG 5.47 (#peak 1911)
&rst
ixpk= 1911, nxpk= 0, iat= 235, 242, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 16 LEU HN 16 LEU QD2 4.85 (#peak 1904)
&rst
ixpk= 1904, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 248, 249, 250,
&end
#
# 16 LEU HN 177 CYS HN 6.15 (#peak 1913)
&rst
ixpk= 1913, nxpk= 0, iat= 235,2701, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 16 LEU HN 177 CYS HA 5.14 (#peak 1905)
&rst
ixpk= 1905, nxpk= 0, iat= 235,2703, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 16 LEU HN 178 GLY HA2 4.43 (#peak 1909)
&rst
ixpk= 1909, nxpk= 0, iat= 235,2714, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 16 LEU HN 178 GLY HA3 4.46 (#peak 1915)
&rst
ixpk= 1915, nxpk= 0, iat= 235,2715, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 16 LEU HN 17 THR HN 3.22 (#peak 182)
&rst
ixpk= 182, nxpk= 0, iat= 235, 254, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 16 LEU HA 16 LEU HG 3.70 (#peak 2305)
&rst
ixpk= 2305, nxpk= 0, iat= 237, 242, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 16 LEU HA 16 LEU QD2 3.88 (#peak 2307)
&rst
ixpk= 2307, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 248, 249, 250,
&end
#
# 16 LEU HB2 16 LEU QD2 2.98 (#peak 2723)
&rst
ixpk= 2723, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 248, 249, 250,
&end
#
# 16 LEU HB2 177 CYS HN 5.68 (#peak 1519)
&rst
ixpk= 1519, nxpk= 0, iat= 239,2701, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 16 LEU HB2 177 CYS HA 6.15 (#peak 2715)
&rst
ixpk= 2715, nxpk= 0, iat= 239,2703, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 16 LEU HB2 178 GLY HA2 5.10 (#peak 6995)
&rst
ixpk= 6995, nxpk= 0, iat= 239,2714, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 16 LEU HB2 17 THR HN 4.10 (#peak 179)
&rst
ixpk= 179, nxpk= 0, iat= 239, 254, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 16 LEU HB3 16 LEU QD2 3.17 (#peak 5502)
&rst
ixpk= 5502, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 248, 249, 250,
&end
#
# 16 LEU HB3 176 LEU QD2 3.16 (#peak 7080)
&rst
ixpk= 7080, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=2695,2696,2697,
&end
#
# 16 LEU HB3 177 CYS HA 5.05 (#peak 5495)
&rst
ixpk= 5495, nxpk= 0, iat= 240,2703, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 16 LEU HB3 178 GLY HN 5.90 (#peak 2220)
&rst
ixpk= 2220, nxpk= 0, iat= 240,2712, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 16 LEU HB3 178 GLY HA2 4.48 (#peak 6994)
&rst
ixpk= 6994, nxpk= 0, iat= 240,2714, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 16 LEU HB3 178 GLY HA3 4.36 (#peak 6996)
&rst
ixpk= 6996, nxpk= 0, iat= 240,2715, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 16 LEU HB3 17 THR HN 4.83 (#peak 171)
&rst
ixpk= 171, nxpk= 0, iat= 240, 254, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 16 LEU HG 176 LEU HB2 4.51 (#peak 3272)
&rst
ixpk= 3272, nxpk= 0, iat= 242,2686, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 16 LEU HG 176 LEU HB3 3.91 (#peak 3266)
&rst
ixpk= 3266, nxpk= 0, iat= 242,2687, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 16 LEU HG 176 LEU QD2 4.84 (#peak 6394)
&rst
ixpk= 6394, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=2695,2696,2697,
&end
#
# 16 LEU HG 17 THR HN 4.91 (#peak 177)
&rst
ixpk= 177, nxpk= 0, iat= 242, 254, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 16 LEU QD2 177 CYS HN 4.97 (#peak 1503)
&rst
ixpk= 1503, nxpk= 0, iat= -1,2701, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 248, 249, 250,
&end
#
# 16 LEU QD2 17 THR HN 4.77 (#peak 167)
&rst
ixpk= 167, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 248, 249, 250,
&end
#
# 17 THR HN 177 CYS HA 5.49 (#peak 168)
&rst
ixpk= 168, nxpk= 0, iat= 254,2703, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 17 THR HN 177 CYS HB2 6.15 (#peak 181)
&rst
ixpk= 181, nxpk= 0, iat= 254,2705, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 17 THR HN 17 THR HB 3.90 (#peak 180)
&rst
ixpk= 180, nxpk= 0, iat= 254, 258, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 17 THR HN 17 THR QG2 4.57 (#peak 172)
&rst
ixpk= 172, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 260, 261, 262,
&end
#
# 17 THR HN 18 GLU HN 4.80 (#peak 156)
&rst
ixpk= 156, nxpk= 0, iat= 254, 268, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 17 THR HA 17 THR QG2 3.45 (#peak 6052)
&rst
ixpk= 6052, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 260, 261, 262,
&end
#
# 17 THR HB 177 CYS HA 4.76 (#peak 2746)
&rst
ixpk= 2746, nxpk= 0, iat= 258,2703, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 17 THR HB 177 CYS HB2 5.28 (#peak 7014)
&rst
ixpk= 7014, nxpk= 0, iat= 258,2705, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 17 THR HB 177 CYS HB3 4.92 (#peak 7015)
&rst
ixpk= 7015, nxpk= 0, iat= 258,2706, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 17 THR HB 27 ILE QD1 4.85 (#peak 6409)
&rst
ixpk= 6409, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 431, 432, 433,
&end
#
# 17 THR QG2 177 CYS HA 3.60 (#peak 551)
&rst
ixpk= 551, nxpk= 0, iat= -1,2703, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 260, 261, 262,
&end
#
# 17 THR QG2 18 GLU HN 4.20 (#peak 157)
&rst
ixpk= 157, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 260, 261, 262,
&end
#
# 17 THR QG2 18 GLU HA 4.42 (#peak 6396)
&rst
ixpk= 6396, nxpk= 0, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 260, 261, 262,
&end
#
# 17 THR QG2 19 SER HN 4.85 (#peak 1633)
&rst
ixpk= 1633, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 260, 261, 262,
&end
#
# 18 GLU HN 18 GLU HB3 3.57 (#peak 161)
&rst
ixpk= 161, nxpk= 0, iat= 268, 273, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 18 GLU HN 18 GLU HG2 5.23 (#peak 160)
&rst
ixpk= 160, nxpk= 0, iat= 268, 275, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 18 GLU HN 18 GLU HG3 4.90 (#peak 165)
&rst
ixpk= 165, nxpk= 0, iat= 268, 276, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 18 GLU HN 19 SER HN 4.85 (#peak 163)
&rst
ixpk= 163, nxpk= 0, iat= 268, 283, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 18 GLU HN 19 SER HB2 6.15 (#peak 2717)
&rst
ixpk= 2717, nxpk= 0, iat= 268, 287, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 18 GLU HA 18 GLU HG2 4.06 (#peak 3978)
&rst
ixpk= 3978, nxpk= 0, iat= 270, 275, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 18 GLU HA 18 GLU HG3 3.93 (#peak 3982)
&rst
ixpk= 3982, nxpk= 0, iat= 270, 276, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 18 GLU HA 24 HIS HN 6.15 (#peak 998)
&rst
ixpk= 998, nxpk= 0, iat= 270, 362, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 18 GLU HB2 18 GLU HG3 2.85 (#peak 139)
&rst
ixpk= 139, nxpk= 0, iat= 272, 276, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 18 GLU HB2 19 SER HN 5.22 (#peak 1635)
&rst
ixpk= 1635, nxpk= 0, iat= 272, 283, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 18 GLU HB3 18 GLU HG2 3.01 (#peak 2048)
&rst
ixpk= 2048, nxpk= 0, iat= 273, 275, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 18 GLU HB3 19 SER HN 5.12 (#peak 1638)
&rst
ixpk= 1638, nxpk= 0, iat= 273, 283, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 18 GLU HB3 19 SER HB2 5.01 (#peak 6633)
&rst
ixpk= 6633, nxpk= 0, iat= 273, 287, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 18 GLU HG2 19 SER HN 5.84 (#peak 1637)
&rst
ixpk= 1637, nxpk= 0, iat= 275, 283, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 18 GLU HG2 19 SER HB2 4.70 (#peak 6704)
&rst
ixpk= 6704, nxpk= 0, iat= 275, 287, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 18 GLU HG3 19 SER HN 5.34 (#peak 1643)
&rst
ixpk= 1643, nxpk= 0, iat= 276, 283, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 19 SER HA 20 ASN HD21 6.15 (#peak 2575)
&rst
ixpk= 2575, nxpk= 0, iat= 285, 303, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 19 SER HB2 20 ASN HN 6.06 (#peak 743)
&rst
ixpk= 743, nxpk= 0, iat= 287, 294, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 19 SER HB3 21 ARG HN 6.15 (#peak 775)
&rst
ixpk= 775, nxpk= 0, iat= 288, 308, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 20 ASN HN 20 ASN QB 4.16 (#peak 735)
&rst
ixpk= 735, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 298, 299,
&end
#
# 20 ASN HN 21 ARG HN 4.56 (#peak 770)
&rst
ixpk= 770, nxpk= 0, iat= 294, 308, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 20 ASN HA 20 ASN HD21 4.83 (#peak 1339)
&rst
ixpk= 1339, nxpk= 0, iat= 296, 303, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 20 ASN HA 20 ASN HD22 4.84 (#peak 232)
&rst
ixpk= 232, nxpk= 0, iat= 296, 304, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 20 ASN QB 20 ASN HD21 3.86 (#peak 1338)
&rst
ixpk= 1338, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 298, 299,
&end
#
# 20 ASN QB 21 ARG HN 4.03 (#peak 766)
&rst
ixpk= 766, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 298, 299,
&end
#
# 20 ASN QB 21 ARG HA 4.76 (#peak 5580)
&rst
ixpk= 5580, nxpk= 0, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 298, 299,
&end
#
# 20 ASN QB 21 ARG HB2 5.70 (#peak 6400)
&rst
ixpk= 6400, nxpk= 0, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 298, 299,
&end
#
# 21 ARG HN 21 ARG HB3 4.15 (#peak 776)
&rst
ixpk= 776, nxpk= 0, iat= 308, 313, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 21 ARG HN 21 ARG HG2 5.56 (#peak 773)
&rst
ixpk= 773, nxpk= 0, iat= 308, 315, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 21 ARG HN 21 ARG HG3 4.92 (#peak 778)
&rst
ixpk= 778, nxpk= 0, iat= 308, 316, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 21 ARG HN 21 ARG QD 6.15 (#peak 774)
&rst
ixpk= 774, 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 4.15 (#peak 447)
&rst
ixpk= 447, nxpk= 0, iat= 308, 332, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 21 ARG HN 22 ILE QG1 5.95 (#peak 767)
&rst
ixpk= 767, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2= 342, 343,
&end
#
# 21 ARG HA 21 ARG HG2 3.83 (#peak 559)
&rst
ixpk= 559, nxpk= 0, iat= 310, 315, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 21 ARG HA 21 ARG HG3 3.96 (#peak 4936)
&rst
ixpk= 4936, nxpk= 0, iat= 310, 316, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 21 ARG HA 21 ARG QD 4.31 (#peak 560)
&rst
ixpk= 560, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 318, 319,
&end
#
# 21 ARG HB2 175 GLU QG 3.68 (#peak 1453)
&rst
ixpk= 1453, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=2674,2675,
&end
#
# 21 ARG HB2 21 ARG HG2 3.01 (#peak 1459)
&rst
ixpk= 1459, nxpk= 0, iat= 312, 315, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 21 ARG HB2 21 ARG QD 3.33 (#peak 1460)
&rst
ixpk= 1460, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 318, 319,
&end
#
# 21 ARG HB2 22 ILE HN 4.66 (#peak 448)
&rst
ixpk= 448, nxpk= 0, iat= 312, 332, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 21 ARG HB3 21 ARG HG2 2.84 (#peak 4190)
&rst
ixpk= 4190, nxpk= 0, iat= 313, 315, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 21 ARG HB3 21 ARG HG3 2.96 (#peak 4942)
&rst
ixpk= 4942, nxpk= 0, iat= 313, 316, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 21 ARG HB3 21 ARG QD 3.45 (#peak 2806)
&rst
ixpk= 2806, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 318, 319,
&end
#
# 21 ARG HB3 22 ILE HN 4.64 (#peak 452)
&rst
ixpk= 452, nxpk= 0, iat= 313, 332, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 21 ARG HG2 22 ILE QD1 4.18 (#peak 1334)
&rst
ixpk= 1334, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 345, 346, 347,
&end
#
# 21 ARG HG2 22 ILE QG1 5.20 (#peak 2184)
&rst
ixpk= 2184, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 342, 343,
&end
#
# 21 ARG HG3 22 ILE HN 4.37 (#peak 455)
&rst
ixpk= 455, nxpk= 0, iat= 316, 332, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 21 ARG HG3 22 ILE QG1 3.80 (#peak 4945)
&rst
ixpk= 4945, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 342, 343,
&end
#
# 21 ARG QD 22 ILE QD1 4.68 (#peak 6942)
&rst
ixpk= 6942, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 318, 319,
igr2= 345, 346, 347,
&end
#
# 21 ARG QD 22 ILE QG1 5.22 (#peak 6402)
&rst
ixpk= 6402, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 318, 319,
igr2= 342, 343,
&end
#
# 22 ILE HN 22 ILE QD1 4.00 (#peak 449)
&rst
ixpk= 449, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 345, 346, 347,
&end
#
# 22 ILE HN 22 ILE QG1 3.90 (#peak 445)
&rst
ixpk= 445, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 342, 343,
&end
#
# 22 ILE HN 22 ILE QG2 4.46 (#peak 456)
&rst
ixpk= 456, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 338, 339, 340,
&end
#
# 22 ILE HN 23 SER HA 5.63 (#peak 454)
&rst
ixpk= 454, nxpk= 0, iat= 332, 353, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 22 ILE HN 27 ILE HG12 6.05 (#peak 444)
&rst
ixpk= 444, nxpk= 0, iat= 332, 428, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 22 ILE HA 22 ILE QD1 4.16 (#peak 3113)
&rst
ixpk= 3113, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 345, 346, 347,
&end
#
# 22 ILE HA 22 ILE QG1 3.37 (#peak 6146)
&rst
ixpk= 6146, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 342, 343,
&end
#
# 22 ILE HA 22 ILE QG2 3.52 (#peak 4785)
&rst
ixpk= 4785, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 338, 339, 340,
&end
#
# 22 ILE HB 22 ILE QD1 3.64 (#peak 1336)
&rst
ixpk= 1336, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 345, 346, 347,
&end
#
# 22 ILE HB 22 ILE QG1 2.92 (#peak 6147)
&rst
ixpk= 6147, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 342, 343,
&end
#
# 22 ILE HB 23 SER HN 4.15 (#peak 1790)
&rst
ixpk= 1790, nxpk= 0, iat= 336, 351, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 22 ILE HB 27 ILE HG12 3.41 (#peak 4170)
&rst
ixpk= 4170, nxpk= 0, iat= 336, 428, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 22 ILE QD1 23 SER HN 4.99 (#peak 1786)
&rst
ixpk= 1786, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 345, 346, 347,
&end
#
# 22 ILE QD1 30 ILE QD1 3.29 (#peak 6371)
&rst
ixpk= 6371, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 345, 346, 347,
igr2= 479, 480, 481,
&end
#
# 22 ILE QG1 23 SER HN 4.81 (#peak 1785)
&rst
ixpk= 1785, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 342, 343,
&end
#
# 22 ILE QG1 30 ILE QD1 5.08 (#peak 6154)
&rst
ixpk= 6154, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 342, 343,
igr2= 479, 480, 481,
&end
#
# 22 ILE QG2 177 CYS HB2 4.10 (#peak 6952)
&rst
ixpk= 6952, nxpk= 0, iat= -1,2705, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 338, 339, 340,
&end
#
# 22 ILE QG2 177 CYS HB3 4.07 (#peak 6953)
&rst
ixpk= 6953, nxpk= 0, iat= -1,2706, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 338, 339, 340,
&end
#
# 22 ILE QG2 22 ILE QD1 3.03 (#peak 4783)
&rst
ixpk= 4783, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 338, 339, 340,
igr2= 345, 346, 347,
&end
#
# 22 ILE QG2 22 ILE QG1 2.72 (#peak 4795)
&rst
ixpk= 4795, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 338, 339, 340,
igr2= 342, 343,
&end
#
# 22 ILE QG2 23 SER HN 4.83 (#peak 1793)
&rst
ixpk= 1793, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 338, 339, 340,
&end
#
# 22 ILE QG2 23 SER HB2 4.37 (#peak 6406)
&rst
ixpk= 6406, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 338, 339, 340,
&end
#
# 22 ILE QG2 27 ILE HA 4.27 (#peak 4780)
&rst
ixpk= 4780, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 338, 339, 340,
&end
#
# 22 ILE QG2 27 ILE HG12 4.10 (#peak 4782)
&rst
ixpk= 4782, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 338, 339, 340,
&end
#
# 22 ILE QG2 27 ILE HG13 3.51 (#peak 4786)
&rst
ixpk= 4786, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 338, 339, 340,
&end
#
# 22 ILE QG2 30 ILE QD1 4.39 (#peak 4796)
&rst
ixpk= 4796, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 338, 339, 340,
igr2= 479, 480, 481,
&end
#
# 23 SER HN 23 SER HB3 4.05 (#peak 1787)
&rst
ixpk= 1787, nxpk= 0, iat= 351, 356, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 23 SER HN 27 ILE HG12 5.55 (#peak 1784)
&rst
ixpk= 1784, nxpk= 0, iat= 351, 428, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 23 SER HB3 24 HIS HN 5.17 (#peak 1001)
&rst
ixpk= 1001, nxpk= 0, iat= 356, 362, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 24 HIS HA 27 ILE HN 5.22 (#peak 2455)
&rst
ixpk= 2455, nxpk= 0, iat= 364, 418, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 24 HIS HA 27 ILE HB 3.43 (#peak 1684)
&rst
ixpk= 1684, nxpk= 0, iat= 364, 422, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 24 HIS HA 27 ILE QD1 3.49 (#peak 1681)
&rst
ixpk= 1681, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 431, 432, 433,
&end
#
# 24 HIS HA 27 ILE QG2 4.21 (#peak 5237)
&rst
ixpk= 5237, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 424, 425, 426,
&end
#
# 24 HIS QB 27 ILE QD1 4.65 (#peak 6408)
&rst
ixpk= 6408, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 366, 367,
igr2= 431, 432, 433,
&end
#
# 27 ILE HN 27 ILE HB 3.72 (#peak 2459)
&rst
ixpk= 2459, nxpk= 0, iat= 418, 422, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 27 ILE HN 27 ILE HG12 4.10 (#peak 2452)
&rst
ixpk= 2452, nxpk= 0, iat= 418, 428, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 27 ILE HN 27 ILE HG13 3.95 (#peak 2456)
&rst
ixpk= 2456, nxpk= 0, iat= 418, 429, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 27 ILE HN 27 ILE QD1 4.33 (#peak 2457)
&rst
ixpk= 2457, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 431, 432, 433,
&end
#
# 27 ILE HN 27 ILE QG2 3.93 (#peak 2458)
&rst
ixpk= 2458, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 424, 425, 426,
&end
#
# 27 ILE HN 28 LEU HN 3.34 (#peak 282)
&rst
ixpk= 282, nxpk= 0, iat= 418, 437, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 27 ILE HA 27 ILE HG12 3.81 (#peak 1076)
&rst
ixpk= 1076, nxpk= 0, iat= 420, 428, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 27 ILE HA 27 ILE QD1 4.03 (#peak 4535)
&rst
ixpk= 4535, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 431, 432, 433,
&end
#
# 27 ILE HA 27 ILE QG2 3.31 (#peak 5234)
&rst
ixpk= 5234, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 424, 425, 426,
&end
#
# 27 ILE HA 30 ILE HN 4.65 (#peak 2098)
&rst
ixpk= 2098, nxpk= 0, iat= 420, 466, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 27 ILE HA 30 ILE HB 5.46 (#peak 694)
&rst
ixpk= 694, nxpk= 0, iat= 420, 470, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 27 ILE HA 30 ILE QD1 3.71 (#peak 6186)
&rst
ixpk= 6186, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 479, 480, 481,
&end
#
# 27 ILE HB 27 ILE QD1 2.96 (#peak 4553)
&rst
ixpk= 4553, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 431, 432, 433,
&end
#
# 27 ILE HB 28 LEU HN 4.22 (#peak 281)
&rst
ixpk= 281, nxpk= 0, iat= 422, 437, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 27 ILE HB 30 ILE QD1 5.30 (#peak 6202)
&rst
ixpk= 6202, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 479, 480, 481,
&end
#
# 27 ILE HG12 28 LEU HN 5.82 (#peak 271)
&rst
ixpk= 271, nxpk= 0, iat= 428, 437, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 27 ILE HG12 30 ILE QD1 4.04 (#peak 6188)
&rst
ixpk= 6188, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 479, 480, 481,
&end
#
# 27 ILE HG13 30 ILE QD1 4.58 (#peak 6194)
&rst
ixpk= 6194, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 479, 480, 481,
&end
#
# 27 ILE QD1 177 CYS HA 4.91 (#peak 4534)
&rst
ixpk= 4534, nxpk= 0, iat= -1,2703, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 431, 432, 433,
&end
#
# 27 ILE QD1 177 CYS HB2 4.00 (#peak 6887)
&rst
ixpk= 6887, nxpk= 0, iat= -1,2705, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 431, 432, 433,
&end
#
# 27 ILE QD1 177 CYS HB3 3.55 (#peak 6888)
&rst
ixpk= 6888, nxpk= 0, iat= -1,2706, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 431, 432, 433,
&end
#
# 27 ILE QD1 178 GLY HA2 4.45 (#peak 6940)
&rst
ixpk= 6940, nxpk= 0, iat= -1,2714, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 431, 432, 433,
&end
#
# 27 ILE QD1 178 GLY HA3 3.73 (#peak 6410)
&rst
ixpk= 6410, nxpk= 0, iat= -1,2715, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 431, 432, 433,
&end
#
# 27 ILE QG2 27 ILE HG12 3.52 (#peak 5236)
&rst
ixpk= 5236, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 424, 425, 426,
&end
#
# 27 ILE QG2 27 ILE HG13 3.24 (#peak 5241)
&rst
ixpk= 5241, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 424, 425, 426,
&end
#
# 27 ILE QG2 27 ILE QD1 2.40 (#peak 5245)
&rst
ixpk= 5245, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 424, 425, 426,
igr2= 431, 432, 433,
&end
#
# 27 ILE QG2 28 LEU HN 4.03 (#peak 278)
&rst
ixpk= 278, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 424, 425, 426,
&end
#
# 27 ILE QG2 28 LEU HA 3.68 (#peak 5242)
&rst
ixpk= 5242, nxpk= 0, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 424, 425, 426,
&end
#
# 27 ILE QG2 30 ILE HG13 4.29 (#peak 5232)
&rst
ixpk= 5232, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 424, 425, 426,
&end
#
# 27 ILE QG2 30 ILE QD1 5.45 (#peak 5255)
&rst
ixpk= 5255, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 424, 425, 426,
igr2= 479, 480, 481,
&end
#
# 28 LEU HN 24 HIS O 2.4
&rst
ixpk= 5255, nxpk= 0, iat= 437, 377, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 28 LEU HN 28 LEU HB2 3.77 (#peak 269)
&rst
ixpk= 269, nxpk= 0, iat= 437, 441, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 28 LEU HN 28 LEU HB3 3.66 (#peak 273)
&rst
ixpk= 273, nxpk= 0, iat= 437, 442, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 28 LEU HN 28 LEU HG 3.69 (#peak 275)
&rst
ixpk= 275, nxpk= 0, iat= 437, 444, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 28 LEU HN 28 LEU QQD 3.79 (#peak 280)
&rst
ixpk= 280, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 450, 451, 452, 446, 447, 448,
&end
#
# 28 LEU HN 29 ALA HN 3.36 (#peak 283)
&rst
ixpk= 283, nxpk= 0, iat= 437, 456, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 28 LEU HA 28 LEU HG 4.25 (#peak 1835)
&rst
ixpk= 1835, nxpk= 0, iat= 439, 444, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 28 LEU HA 28 LEU QQD 3.37 (#peak 4644)
&rst
ixpk= 4644, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 450, 451, 452, 446, 447, 448,
&end
#
# 28 LEU HA 31 VAL HN 4.74 (#peak 100)
&rst
ixpk= 100, nxpk= 0, iat= 439, 485, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 28 LEU HA 31 VAL HB 3.42 (#peak 4006)
&rst
ixpk= 4006, nxpk= 0, iat= 439, 489, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 28 LEU HA 31 VAL QG1 4.37 (#peak 4243)
&rst
ixpk= 4243, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 491, 492, 493,
&end
#
# 28 LEU HA 32 GLY HN 6.09 (#peak 1873)
&rst
ixpk= 1873, nxpk= 0, iat= 439, 501, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 28 LEU HB2 28 LEU QQD 3.18 (#peak 4646)
&rst
ixpk= 4646, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 450, 451, 452, 446, 447, 448,
&end
#
# 28 LEU HB2 29 ALA HN 4.76 (#peak 2496)
&rst
ixpk= 2496, nxpk= 0, iat= 441, 456, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 28 LEU HB3 28 LEU QQD 3.11 (#peak 4647)
&rst
ixpk= 4647, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 450, 451, 452, 446, 447, 448,
&end
#
# 28 LEU HB3 29 ALA HN 4.74 (#peak 2499)
&rst
ixpk= 2499, nxpk= 0, iat= 442, 456, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 28 LEU HG 29 ALA HN 4.67 (#peak 2500)
&rst
ixpk= 2500, nxpk= 0, iat= 444, 456, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 28 LEU HG 29 ALA HA 4.16 (#peak 6413)
&rst
ixpk= 6413, nxpk= 0, iat= 444, 458, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 28 LEU HG 29 ALA QB 3.61 (#peak 1833)
&rst
ixpk= 1833, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 460, 461, 462,
&end
#
# 28 LEU N 24 HIS O 3.3
&rst
ixpk= 1833, nxpk= 0, iat= 436, 377, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 28 LEU QQD 29 ALA HN 4.27 (#peak 2505)
&rst
ixpk= 2505, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 450, 451, 452, 446, 447, 448,
&end
#
# 28 LEU QQD 29 ALA HA 3.54 (#peak 225)
&rst
ixpk= 225, nxpk= 0, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 450, 451, 452, 446, 447, 448,
&end
#
# 28 LEU QQD 29 ALA QB 3.54 (#peak 4642)
&rst
ixpk= 4642, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 450, 451, 452, 446, 447, 448,
igr2= 460, 461, 462,
&end
#
# 28 LEU QQD 53 GLU HG2 4.87 (#peak 6755)
&rst
ixpk= 6755, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 450, 451, 452, 446, 447, 448,
&end
#
# 28 LEU QQD 53 GLU HG3 4.60 (#peak 6756)
&rst
ixpk= 6756, nxpk= 0, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 450, 451, 452, 446, 447, 448,
&end
#
# 28 LEU QQD 54 LEU QD2 3.69 (#peak 3416)
&rst
ixpk= 3416, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 450, 451, 452, 446, 447, 448,
igr2= 833, 834, 835,
&end
#
# 29 ALA HN 25 HIS O 2.4
&rst
ixpk= 3416, nxpk= 0, iat= 456, 394, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 29 ALA HN 29 ALA QB 3.62 (#peak 2502)
&rst
ixpk= 2502, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 460, 461, 462,
&end
#
# 29 ALA HN 30 ILE HN 3.87 (#peak 2503)
&rst
ixpk= 2503, nxpk= 0, iat= 456, 466, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 29 ALA HN 30 ILE QG2 5.56 (#peak 2501)
&rst
ixpk= 2501, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2= 472, 473, 474,
&end
#
# 29 ALA HA 32 GLY HN 4.72 (#peak 1876)
&rst
ixpk= 1876, nxpk= 0, iat= 458, 501, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 29 ALA HA 54 LEU QD1 3.72 (#peak 221)
&rst
ixpk= 221, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 829, 830, 831,
&end
#
# 29 ALA N 25 HIS O 3.3
&rst
ixpk= 221, 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 2104)
&rst
ixpk= 2104, 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 33 THR HN 5.95 (#peak 1248)
&rst
ixpk= 1248, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr1= 460, 461, 462,
&end
#
# 29 ALA QB 54 LEU QD1 4.15 (#peak 6415)
&rst
ixpk= 6415, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 460, 461, 462,
igr2= 829, 830, 831,
&end
#
# 30 ILE HN 26 LYS O 2.4
&rst
ixpk= 6415, nxpk= 0, iat= 466, 416, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 30 ILE HN 30 ILE HG12 5.00 (#peak 2102)
&rst
ixpk= 2102, nxpk= 0, iat= 466, 476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 ILE HN 30 ILE HG13 4.65 (#peak 2110)
&rst
ixpk= 2110, nxpk= 0, iat= 466, 477, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 30 ILE HN 30 ILE QD1 5.85 (#peak 2101)
&rst
ixpk= 2101, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2= 479, 480, 481,
&end
#
# 30 ILE HN 30 ILE QG2 5.29 (#peak 2103)
&rst
ixpk= 2103, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 472, 473, 474,
&end
#
# 30 ILE HN 31 VAL HN 3.70 (#peak 98)
&rst
ixpk= 98, nxpk= 0, iat= 466, 485, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 30 ILE HN 32 GLY HN 4.89 (#peak 1870)
&rst
ixpk= 1870, nxpk= 0, iat= 466, 501, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 30 ILE HA 30 ILE HG13 3.89 (#peak 4695)
&rst
ixpk= 4695, nxpk= 0, iat= 468, 477, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 30 ILE HA 30 ILE QD1 4.22 (#peak 4707)
&rst
ixpk= 4707, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 479, 480, 481,
&end
#
# 30 ILE HA 30 ILE QG2 3.14 (#peak 4701)
&rst
ixpk= 4701, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 472, 473, 474,
&end
#
# 30 ILE HA 33 THR HA 5.89 (#peak 4700)
&rst
ixpk= 4700, nxpk= 0, iat= 468, 510, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 30 ILE HA 33 THR HB 5.20 (#peak 714)
&rst
ixpk= 714, nxpk= 0, iat= 468, 512, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 30 ILE HA 33 THR QG2 4.38 (#peak 4706)
&rst
ixpk= 4706, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 514, 515, 516,
&end
#
# 30 ILE HB 30 ILE QD1 3.11 (#peak 6199)
&rst
ixpk= 6199, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 479, 480, 481,
&end
#
# 30 ILE HB 31 VAL HN 4.18 (#peak 89)
&rst
ixpk= 89, nxpk= 0, iat= 470, 485, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 30 ILE HG12 31 VAL HN 5.75 (#peak 94)
&rst
ixpk= 94, nxpk= 0, iat= 476, 485, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 30 ILE HG12 32 GLY HN 6.09 (#peak 1868)
&rst
ixpk= 1868, nxpk= 0, iat= 476, 501, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 30 ILE N 26 LYS O 3.3
&rst
ixpk= 1868, nxpk= 0, iat= 465, 416, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 30 ILE QD1 132 TYR HB3 4.66 (#peak 6416)
&rst
ixpk= 6416, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 479, 480, 481,
&end
#
# 30 ILE QD1 132 TYR QD 4.02 (#peak 6185)
&rst
ixpk= 6185, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 479, 480, 481,
igr2=1977,1986,
&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 HA 5.23 (#peak 6637)
&rst
ixpk= 6637, nxpk= 0, iat= -1,2629, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 479, 480, 481,
&end
#
# 30 ILE QD1 172 VAL HB 4.85 (#peak 6420)
&rst
ixpk= 6420, nxpk= 0, iat= -1,2631, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 479, 480, 481,
&end
#
# 30 ILE QD1 172 VAL QG1 3.43 (#peak 2089)
&rst
ixpk= 2089, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 479, 480, 481,
igr2=2633,2634,2635,
&end
#
# 30 ILE QD1 177 CYS HB3 5.09 (#peak 6419)
&rst
ixpk= 6419, nxpk= 0, iat= -1,2706, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 479, 480, 481,
&end
#
# 30 ILE QD1 31 VAL HN 5.17 (#peak 90)
&rst
ixpk= 90, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 479, 480, 481,
&end
#
# 30 ILE QG2 132 TYR QD 4.48 (#peak 2550)
&rst
ixpk= 2550, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 472, 473, 474,
igr2=1977,1986,
&end
#
# 30 ILE QG2 30 ILE HG12 2.55 (#peak 2554)
&rst
ixpk= 2554, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr1= 472, 473, 474,
&end
#
# 30 ILE QG2 30 ILE HG13 3.47 (#peak 2548)
&rst
ixpk= 2548, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 472, 473, 474,
&end
#
# 30 ILE QG2 30 ILE QD1 2.88 (#peak 6192)
&rst
ixpk= 6192, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 472, 473, 474,
igr2= 479, 480, 481,
&end
#
# 30 ILE QG2 33 THR HB 5.46 (#peak 6782)
&rst
ixpk= 6782, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 472, 473, 474,
&end
#
# 30 ILE QG2 77 VAL QQG 3.54 (#peak 6987)
&rst
ixpk= 6987, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 472, 473, 474,
igr2=1153,1154,1155,1157,1158,1159,
&end
#
# 31 VAL HN 27 ILE O 2.4
&rst
ixpk= 6987, nxpk= 0, iat= 485, 435, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 31 VAL HN 31 VAL HB 3.89 (#peak 101)
&rst
ixpk= 101, nxpk= 0, iat= 485, 489, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 31 VAL HN 31 VAL QG1 3.87 (#peak 99)
&rst
ixpk= 99, 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 3.89 (#peak 92)
&rst
ixpk= 92, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 495, 496, 497,
&end
#
# 31 VAL HN 32 GLY HN 3.66 (#peak 1862)
&rst
ixpk= 1862, nxpk= 0, iat= 485, 501, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 31 VAL HA 136 ILE QD1 5.27 (#peak 7099)
&rst
ixpk= 7099, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=2060,2061,2062,
&end
#
# 31 VAL HA 31 VAL QG1 3.00 (#peak 6031)
&rst
ixpk= 6031, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 491, 492, 493,
&end
#
# 31 VAL HA 31 VAL QG2 3.08 (#peak 6028)
&rst
ixpk= 6028, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 495, 496, 497,
&end
#
# 31 VAL HA 33 THR HN 6.15 (#peak 1239)
&rst
ixpk= 1239, nxpk= 0, iat= 487, 508, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 31 VAL HA 34 ALA QB 3.73 (#peak 6033)
&rst
ixpk= 6033, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 526, 527, 528,
&end
#
# 31 VAL HA 35 GLU HN 6.15 (#peak 1603)
&rst
ixpk= 1603, nxpk= 0, iat= 487, 532, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 31 VAL HB 32 GLY HN 3.96 (#peak 1875)
&rst
ixpk= 1875, nxpk= 0, iat= 489, 501, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 31 VAL HB 33 THR HN 5.46 (#peak 1251)
&rst
ixpk= 1251, nxpk= 0, iat= 489, 508, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 31 VAL N 27 ILE O 3.3
&rst
ixpk= 1251, nxpk= 0, iat= 484, 435, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 31 VAL QG1 32 GLY HN 4.09 (#peak 1872)
&rst
ixpk= 1872, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 491, 492, 493,
&end
#
# 31 VAL QG1 46 ILE HG13 4.66 (#peak 6897)
&rst
ixpk= 6897, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 491, 492, 493,
&end
#
# 31 VAL QG1 46 ILE QD1 2.74 (#peak 6896)
&rst
ixpk= 6896, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 491, 492, 493,
igr2= 692, 693, 694,
&end
#
# 31 VAL QG1 46 ILE QG2 2.47 (#peak 6895)
&rst
ixpk= 6895, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 491, 492, 493,
igr2= 685, 686, 687,
&end
#
# 31 VAL QG2 32 GLY HN 4.51 (#peak 1865)
&rst
ixpk= 1865, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 495, 496, 497,
&end
#
# 32 GLY HN 33 THR HN 3.91 (#peak 1867)
&rst
ixpk= 1867, nxpk= 0, iat= 501, 508, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 32 GLY HN 33 THR HG1 6.15 (#peak 2828)
&rst
ixpk= 2828, nxpk= 0, iat= 501, 518, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 32 GLY HN 34 ALA HN 4.73 (#peak 1866)
&rst
ixpk= 1866, nxpk= 0, iat= 501, 522, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 32 GLY HN 50 CYS HB3 5.58 (#peak 2641)
&rst
ixpk= 2641, nxpk= 0, iat= 501, 760, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 32 GLY HA2 46 ILE QG2 3.98 (#peak 6639)
&rst
ixpk= 6639, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 685, 686, 687,
&end
#
# 32 GLY HA3 35 GLU HN 5.90 (#peak 1614)
&rst
ixpk= 1614, nxpk= 0, iat= 504, 532, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 32 GLY HA3 46 ILE QG2 3.90 (#peak 6893)
&rst
ixpk= 6893, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 685, 686, 687,
&end
#
# 32 GLY HA3 50 CYS HB3 5.40 (#peak 6748)
&rst
ixpk= 6748, nxpk= 0, iat= 504, 760, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 33 THR HN 29 ALA O 2.4
&rst
ixpk= 6748, nxpk= 0, iat= 508, 464, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 33 THR HN 33 THR HB 3.83 (#peak 1241)
&rst
ixpk= 1241, nxpk= 0, iat= 508, 512, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &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 5.44 (#peak 1240)
&rst
ixpk= 1240, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 514, 515, 516,
&end
#
# 33 THR HN 34 ALA HN 3.71 (#peak 1123)
&rst
ixpk= 1123, nxpk= 0, iat= 508, 522, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 33 THR HN 35 GLU HN 6.01 (#peak 1246)
&rst
ixpk= 1246, nxpk= 0, iat= 508, 532, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 33 THR HN 35 GLU QB 6.15 (#peak 2578)
&rst
ixpk= 2578, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 536, 537,
&end
#
# 33 THR HN 59 LEU QD1 5.97 (#peak 1245)
&rst
ixpk= 1245, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2= 903, 904, 905,
&end
#
# 33 THR HN 60 GLY HN 6.15 (#peak 2791)
&rst
ixpk= 2791, nxpk= 0, iat= 508, 913, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 33 THR HN 60 GLY HA2 6.15 (#peak 2833)
&rst
ixpk= 2833, nxpk= 0, iat= 508, 915, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &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 33 THR QG2 3.51 (#peak 2473)
&rst
ixpk= 2473, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 514, 515, 516,
&end
#
# 33 THR HA 59 LEU QD1 4.23 (#peak 6783)
&rst
ixpk= 6783, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 903, 904, 905,
&end
#
# 33 THR HA 60 GLY HN 6.15 (#peak 2790)
&rst
ixpk= 2790, nxpk= 0, iat= 510, 913, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 33 THR HA 60 GLY HA3 3.33 (#peak 7129)
&rst
ixpk= 7129, nxpk= 0, iat= 510, 916, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 33 THR HB 34 ALA HN 5.18 (#peak 1120)
&rst
ixpk= 1120, nxpk= 0, iat= 512, 522, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 33 THR HB 35 GLU HN 6.15 (#peak 2636)
&rst
ixpk= 2636, nxpk= 0, iat= 512, 532, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 33 THR HB 59 LEU HB2 5.70 (#peak 6832)
&rst
ixpk= 6832, nxpk= 0, iat= 512, 898, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 33 THR HB 59 LEU QD1 4.13 (#peak 6780)
&rst
ixpk= 6780, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 903, 904, 905,
&end
#
# 33 THR HB 60 GLY HN 4.98 (#peak 2789)
&rst
ixpk= 2789, nxpk= 0, iat= 512, 913, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 33 THR HB 60 GLY HA3 5.10 (#peak 6954)
&rst
ixpk= 6954, nxpk= 0, iat= 512, 916, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 33 THR HG1 34 ALA HN 4.87 (#peak 2827)
&rst
ixpk= 2827, nxpk= 0, iat= 518, 522, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 33 THR HG1 59 LEU QD1 5.00 (#peak 6836)
&rst
ixpk= 6836, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 903, 904, 905,
&end
#
# 33 THR HG1 60 GLY HN 4.76 (#peak 2772)
&rst
ixpk= 2772, nxpk= 0, iat= 518, 913, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 33 THR N 29 ALA O 3.3
&rst
ixpk= 2772, nxpk= 0, iat= 507, 464, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 33 THR QG2 34 ALA HN 4.09 (#peak 1119)
&rst
ixpk= 1119, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 514, 515, 516,
&end
#
# 33 THR QG2 35 GLU HN 5.94 (#peak 1604)
&rst
ixpk= 1604, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 514, 515, 516,
&end
#
# 33 THR QG2 59 LEU HB3 4.88 (#peak 6117)
&rst
ixpk= 6117, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 514, 515, 516,
&end
#
# 33 THR QG2 59 LEU HG 2.82 (#peak 6121)
&rst
ixpk= 6121, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr1= 514, 515, 516,
&end
#
# 33 THR QG2 59 LEU QD1 3.51 (#peak 6111)
&rst
ixpk= 6111, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 514, 515, 516,
igr2= 903, 904, 905,
&end
#
# 33 THR QG2 59 LEU QD2 4.19 (#peak 6858)
&rst
ixpk= 6858, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 514, 515, 516,
igr2= 907, 908, 909,
&end
#
# 33 THR QG2 60 GLY HN 5.08 (#peak 2736)
&rst
ixpk= 2736, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 514, 515, 516,
&end
#
# 33 THR QG2 60 GLY HA2 3.71 (#peak 6945)
&rst
ixpk= 6945, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 514, 515, 516,
&end
#
# 33 THR QG2 60 GLY HA3 3.88 (#peak 6947)
&rst
ixpk= 6947, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 514, 515, 516,
&end
#
# 34 ALA HN 34 ALA QB 3.63 (#peak 1130)
&rst
ixpk= 1130, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 526, 527, 528,
&end
#
# 34 ALA HN 35 GLU HN 3.78 (#peak 1124)
&rst
ixpk= 1124, nxpk= 0, iat= 522, 532, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 34 ALA HN 36 SER HN 5.43 (#peak 289)
&rst
ixpk= 289, nxpk= 0, iat= 522, 547, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 34 ALA HN 63 ILE QD1 4.91 (#peak 1129)
&rst
ixpk= 1129, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 958, 959, 960,
&end
#
# 34 ALA QB 35 GLU HN 4.16 (#peak 1615)
&rst
ixpk= 1615, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 526, 527, 528,
&end
#
# 34 ALA QB 36 SER HN 4.84 (#peak 297)
&rst
ixpk= 297, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 526, 527, 528,
&end
#
# 34 ALA QB 77 VAL QQG 3.80 (#peak 6424)
&rst
ixpk= 6424, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 526, 527, 528,
igr2=1153,1154,1155,1157,1158,1159,
&end
#
# 35 GLU HN 134 VAL QG2 5.98 (#peak 2638)
&rst
ixpk= 2638, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2=2022,2023,2024,
&end
#
# 35 GLU HN 35 GLU QB 4.06 (#peak 1610)
&rst
ixpk= 1610, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 536, 537,
&end
#
# 35 GLU HN 36 SER HN 3.27 (#peak 292)
&rst
ixpk= 292, nxpk= 0, iat= 532, 547, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 35 GLU HN 38 SER QB 6.15 (#peak 2637)
&rst
ixpk= 2637, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 576, 577,
&end
#
# 35 GLU QB 36 SER HN 4.57 (#peak 290)
&rst
ixpk= 290, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 536, 537,
&end
#
# 35 GLU QB 36 SER HA 4.80 (#peak 2905)
&rst
ixpk= 2905, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 536, 537,
&end
#
# 35 GLU QB 47 THR HA 4.78 (#peak 6578)
&rst
ixpk= 6578, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 536, 537,
&end
#
# 35 GLU QB 47 THR QG2 3.99 (#peak 4119)
&rst
ixpk= 4119, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 536, 537,
igr2= 704, 705, 706,
&end
#
# 36 SER HN 36 SER QB 3.86 (#peak 284)
&rst
ixpk= 284, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 551, 552,
&end
#
# 36 SER HN 37 ASN HN 3.63 (#peak 295)
&rst
ixpk= 295, nxpk= 0, iat= 547, 558, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 36 SER HN 47 THR QG2 5.28 (#peak 291)
&rst
ixpk= 291, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 704, 705, 706,
&end
#
# 36 SER HA 47 THR HA 5.12 (#peak 6447)
&rst
ixpk= 6447, nxpk= 0, iat= 549, 700, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 36 SER HA 47 THR QG2 3.32 (#peak 6347)
&rst
ixpk= 6347, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 704, 705, 706,
&end
#
# 36 SER QB 37 ASN HN 3.90 (#peak 1719)
&rst
ixpk= 1719, nxpk= 0, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 551, 552,
&end
#
# 36 SER QB 47 THR QG2 3.70 (#peak 6346)
&rst
ixpk= 6346, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 551, 552,
igr2= 704, 705, 706,
&end
#
# 37 ASN HN 38 SER HN 3.37 (#peak 1723)
&rst
ixpk= 1723, nxpk= 0, iat= 558, 572, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 37 ASN HB2 38 SER HN 5.57 (#peak 1585)
&rst
ixpk= 1585, nxpk= 0, iat= 562, 572, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 37 ASN HB3 38 SER HN 4.30 (#peak 1592)
&rst
ixpk= 1592, nxpk= 0, iat= 563, 572, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 37 ASN HD21 61 THR HN 5.28 (#peak 2844)
&rst
ixpk= 2844, nxpk= 0, iat= 567, 920, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 37 ASN HD21 61 THR QG2 5.71 (#peak 2820)
&rst
ixpk= 2820, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2= 926, 927, 928,
&end
#
# 37 ASN HD21 62 CYS HB2 5.50 (#peak 2813)
&rst
ixpk= 2813, nxpk= 0, iat= 567, 938, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ASN HD21 62 CYS HB3 5.40 (#peak 2816)
&rst
ixpk= 2816, nxpk= 0, iat= 567, 939, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 37 ASN HD22 63 ILE HG12 5.84 (#peak 2814)
&rst
ixpk= 2814, nxpk= 0, iat= 568, 955, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 38 SER HN 39 GLU HN 5.42 (#peak 1797)
&rst
ixpk= 1797, nxpk= 0, iat= 572, 583, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 38 SER HA 39 GLU QG 3.95 (#peak 6449)
&rst
ixpk= 6449, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 590, 591,
&end
#
# 38 SER HA 40 HIS HN 5.72 (#peak 319)
&rst
ixpk= 319, nxpk= 0, iat= 574, 598, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 38 SER HA 65 PHE QD 4.62 (#peak 6784)
&rst
ixpk= 6784, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 984, 992,
&end
#
# 38 SER QB 39 GLU HN 4.82 (#peak 1801)
&rst
ixpk= 1801, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 576, 577,
&end
#
# 38 SER QB 40 HIS HN 5.92 (#peak 325)
&rst
ixpk= 325, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 576, 577,
&end
#
# 39 GLU HN 39 GLU QG 4.82 (#peak 1802)
&rst
ixpk= 1802, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 590, 591,
&end
#
# 39 GLU HN 40 HIS HN 3.82 (#peak 1794)
&rst
ixpk= 1794, nxpk= 0, iat= 583, 598, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 39 GLU HN 40 HIS HD2 6.15 (#peak 2741)
&rst
ixpk= 2741, nxpk= 0, iat= 583, 611, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 39 GLU HA 39 GLU QG 3.35 (#peak 286)
&rst
ixpk= 286, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 590, 591,
&end
#
# 39 GLU HA 44 THR QG2 4.06 (#peak 6451)
&rst
ixpk= 6451, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 661, 662, 663,
&end
#
# 39 GLU HB2 39 GLU QG 2.40 (#peak 282)
&rst
ixpk= 282, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr2= 590, 591,
&end
#
# 39 GLU HB2 40 HIS HN 4.98 (#peak 318)
&rst
ixpk= 318, nxpk= 0, iat= 587, 598, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 39 GLU HB3 39 GLU QG 2.58 (#peak 3143)
&rst
ixpk= 3143, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr2= 590, 591,
&end
#
# 39 GLU HB3 40 HIS HN 5.79 (#peak 322)
&rst
ixpk= 322, nxpk= 0, iat= 588, 598, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 39 GLU QG 40 HIS HN 4.65 (#peak 326)
&rst
ixpk= 326, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 590, 591,
&end
#
# 40 HIS HN 40 HIS HB2 3.63 (#peak 317)
&rst
ixpk= 317, nxpk= 0, iat= 598, 602, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 40 HIS HN 40 HIS HB3 3.87 (#peak 321)
&rst
ixpk= 321, nxpk= 0, iat= 598, 603, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 40 HIS HN 40 HIS HD2 6.15 (#peak 323)
&rst
ixpk= 323, nxpk= 0, iat= 598, 611, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 40 HIS HN 43 GLY HN 6.15 (#peak 2739)
&rst
ixpk= 2739, nxpk= 0, iat= 598, 648, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 40 HIS HA 186 atp H80 5.93 (#peak 6809)
&rst
ixpk= 6809, nxpk= 0, iat= 600,2845, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 40 HIS HA 40 HIS HD2 4.69 (#peak 1787)
&rst
ixpk= 1787, nxpk= 0, iat= 600, 611, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 40 HIS HA 41 PRO HB3 4.99 (#peak 6429)
&rst
ixpk= 6429, nxpk= 0, iat= 600, 623, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 40 HIS HA 41 PRO HD2 3.58 (#peak 3124)
&rst
ixpk= 3124, nxpk= 0, iat= 600, 616, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 40 HIS HA 41 PRO HD3 3.49 (#peak 522)
&rst
ixpk= 522, nxpk= 0, iat= 600, 617, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 40 HIS HB2 43 GLY HN 5.84 (#peak 2173)
&rst
ixpk= 2173, nxpk= 0, iat= 602, 648, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 40 HIS HB3 186 atp H80 4.67 (#peak 6811)
&rst
ixpk= 6811, nxpk= 0, iat= 603,2845, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 40 HIS HB3 41 PRO HA 5.08 (#peak 6770)
&rst
ixpk= 6770, nxpk= 0, iat= 603, 625, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 40 HIS HB3 42 LEU HB3 4.49 (#peak 6772)
&rst
ixpk= 6772, nxpk= 0, iat= 603, 634, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 40 HIS HB3 43 GLY HN 4.65 (#peak 2177)
&rst
ixpk= 2177, nxpk= 0, iat= 603, 648, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 40 HIS HB3 44 THR HN 6.00 (#peak 2643)
&rst
ixpk= 2643, nxpk= 0, iat= 603, 655, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 HIS HB3 44 THR QG2 4.84 (#peak 6773)
&rst
ixpk= 6773, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 661, 662, 663,
&end
#
# 40 HIS HD2 73 ILE QD1 3.50 (#peak 7123)
&rst
ixpk= 7123, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1097,1098,1099,
&end
#
# 41 PRO HB2 186 atp H80 5.47 (#peak 6802)
&rst
ixpk= 6802, nxpk= 0, iat= 622,2845, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 41 PRO HB3 186 atp H80 5.71 (#peak 636)
&rst
ixpk= 636, nxpk= 0, iat= 623,2845, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 41 PRO HD2 186 atp H80 5.62 (#peak 7023)
&rst
ixpk= 7023, nxpk= 0, iat= 616,2845, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 41 PRO HD3 186 atp H80 5.56 (#peak 6799)
&rst
ixpk= 6799, nxpk= 0, iat= 617,2845, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 41 PRO HD3 43 GLY HN 6.15 (#peak 2642)
&rst
ixpk= 2642, nxpk= 0, iat= 617, 648, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 41 PRO HG3 43 GLY HN 6.15 (#peak 2721)
&rst
ixpk= 2721, nxpk= 0, iat= 620, 648, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 42 LEU HN 186 atp H80 5.22 (#peak 2489)
&rst
ixpk= 2489, nxpk= 0, iat= 629,2845, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 42 LEU HN 42 LEU HG 5.34 (#peak 1943)
&rst
ixpk= 1943, nxpk= 0, iat= 629, 636, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 42 LEU HN 42 LEU QD1 6.12 (#peak 1939)
&rst
ixpk= 1939, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr2= 638, 639, 640,
&end
#
# 42 LEU HN 42 LEU QD2 5.52 (#peak 1936)
&rst
ixpk= 1936, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 642, 643, 644,
&end
#
# 42 LEU HN 43 GLY HN 4.24 (#peak 2178)
&rst
ixpk= 2178, nxpk= 0, iat= 629, 648, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 42 LEU HN 44 THR HN 5.59 (#peak 83)
&rst
ixpk= 83, nxpk= 0, iat= 629, 655, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 42 LEU HA 186 atp H80 5.45 (#peak 6810)
&rst
ixpk= 6810, nxpk= 0, iat= 631,2845, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 42 LEU HA 42 LEU HG 3.66 (#peak 3484)
&rst
ixpk= 3484, nxpk= 0, iat= 631, 636, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 42 LEU HA 42 LEU QD1 4.20 (#peak 6066)
&rst
ixpk= 6066, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 638, 639, 640,
&end
#
# 42 LEU HA 42 LEU QD2 4.14 (#peak 3490)
&rst
ixpk= 3490, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 642, 643, 644,
&end
#
# 42 LEU HA 45 ALA HN 4.65 (#peak 2164)
&rst
ixpk= 2164, nxpk= 0, iat= 631, 669, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 42 LEU HA 45 ALA QB 4.06 (#peak 6507)
&rst
ixpk= 6507, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 673, 674, 675,
&end
#
# 42 LEU HB2 186 atp H80 5.21 (#peak 6861)
&rst
ixpk= 6861, nxpk= 0, iat= 633,2845, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 42 LEU HB2 42 LEU QD1 3.84 (#peak 6068)
&rst
ixpk= 6068, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 638, 639, 640,
&end
#
# 42 LEU HB2 42 LEU QD2 3.58 (#peak 5229)
&rst
ixpk= 5229, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 642, 643, 644,
&end
#
# 42 LEU HB2 43 GLY HN 4.53 (#peak 2179)
&rst
ixpk= 2179, nxpk= 0, iat= 633, 648, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 42 LEU HB3 42 LEU QD1 3.40 (#peak 6894)
&rst
ixpk= 6894, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 638, 639, 640,
&end
#
# 42 LEU HB3 42 LEU QD2 3.36 (#peak 5222)
&rst
ixpk= 5222, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 642, 643, 644,
&end
#
# 42 LEU HB3 43 GLY HN 4.66 (#peak 2174)
&rst
ixpk= 2174, nxpk= 0, iat= 634, 648, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 42 LEU HB3 44 THR HN 6.15 (#peak 2549)
&rst
ixpk= 2549, nxpk= 0, iat= 634, 655, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 42 LEU HG 186 atp H80 5.11 (#peak 6796)
&rst
ixpk= 6796, nxpk= 0, iat= 636,2845, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 42 LEU QD1 136 ILE HG12 6.15 (#peak 6503)
&rst
ixpk= 6503, nxpk= 0, iat= -1,2057, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 638, 639, 640,
&end
#
# 42 LEU QD1 166 THR QG2 3.49 (#peak 6795)
&rst
ixpk= 6795, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 638, 639, 640,
igr2=2548,2549,2550,
&end
#
# 42 LEU QD1 168 VAL QG1 4.21 (#peak 6504)
&rst
ixpk= 6504, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 638, 639, 640,
igr2=2572,2573,2574,
&end
#
# 42 LEU QD1 186 atp H2' 3.94 (#peak 6876)
&rst
ixpk= 6876, nxpk= 0, iat= -1,2864, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 638, 639, 640,
&end
#
# 42 LEU QD1 186 atp H3' 4.46 (#peak 6871)
&rst
ixpk= 6871, nxpk= 0, iat= -1,2860, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 638, 639, 640,
&end
#
# 42 LEU QD1 186 atp H50 3.78 (#peak 7111)
&rst
ixpk= 7111, nxpk= 0, iat= -1,2836, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 638, 639, 640,
&end
#
# 42 LEU QD1 186 atp H80 3.71 (#peak 6365)
&rst
ixpk= 6365, nxpk= 0, iat= -1,2845, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 638, 639, 640,
&end
#
# 42 LEU QD2 136 ILE HG12 4.61 (#peak 6774)
&rst
ixpk= 6774, nxpk= 0, iat= -1,2057, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 642, 643, 644,
&end
#
# 42 LEU QD2 166 THR QG2 3.11 (#peak 6981)
&rst
ixpk= 6981, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 642, 643, 644,
igr2=2548,2549,2550,
&end
#
# 42 LEU QD2 168 VAL QG1 4.18 (#peak 6814)
&rst
ixpk= 6814, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 642, 643, 644,
igr2=2572,2573,2574,
&end
#
# 42 LEU QD2 186 atp H2' 4.37 (#peak 6879)
&rst
ixpk= 6879, nxpk= 0, iat= -1,2864, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 642, 643, 644,
&end
#
# 42 LEU QD2 186 atp H3' 4.79 (#peak 7110)
&rst
ixpk= 7110, nxpk= 0, iat= -1,2860, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 642, 643, 644,
&end
#
# 42 LEU QD2 186 atp H50 6.13 (#peak 7027)
&rst
ixpk= 7027, nxpk= 0, iat= -1,2836, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1= 642, 643, 644,
&end
#
# 42 LEU QD2 186 atp H80 4.50 (#peak 6364)
&rst
ixpk= 6364, nxpk= 0, iat= -1,2845, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 642, 643, 644,
&end
#
# 42 LEU QD2 43 GLY HN 5.31 (#peak 2170)
&rst
ixpk= 2170, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 642, 643, 644,
&end
#
# 43 GLY HN 186 atp H80 6.15 (#peak 2735)
&rst
ixpk= 2735, nxpk= 0, iat= 648,2845, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 43 GLY HN 44 THR HN 4.78 (#peak 2169)
&rst
ixpk= 2169, nxpk= 0, iat= 648, 655, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 43 GLY HA2 46 ILE QD1 4.34 (#peak 935)
&rst
ixpk= 935, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 692, 693, 694,
&end
#
# 43 GLY HA2 47 THR HN 5.57 (#peak 2067)
&rst
ixpk= 2067, nxpk= 0, iat= 650, 698, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 43 GLY HA3 46 ILE QD1 4.76 (#peak 6436)
&rst
ixpk= 6436, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 692, 693, 694,
&end
#
# 44 THR HN 44 THR HB 3.78 (#peak 78)
&rst
ixpk= 78, nxpk= 0, iat= 655, 659, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 44 THR HN 44 THR QG2 4.05 (#peak 87)
&rst
ixpk= 87, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 661, 662, 663,
&end
#
# 44 THR HN 45 ALA HN 3.68 (#peak 2153)
&rst
ixpk= 2153, nxpk= 0, iat= 655, 669, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 44 THR HN 46 ILE HN 6.15 (#peak 76)
&rst
ixpk= 76, nxpk= 0, iat= 655, 679, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 44 THR HA 44 THR QG2 3.31 (#peak 5216)
&rst
ixpk= 5216, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 661, 662, 663,
&end
#
# 44 THR QG2 45 ALA HN 4.92 (#peak 2167)
&rst
ixpk= 2167, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 661, 662, 663,
&end
#
# 45 ALA HN 45 ALA QB 3.56 (#peak 2158)
&rst
ixpk= 2158, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 673, 674, 675,
&end
#
# 45 ALA HN 46 ILE HN 4.51 (#peak 2156)
&rst
ixpk= 2156, nxpk= 0, iat= 669, 679, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 45 ALA HN 46 ILE HA 6.15 (#peak 2159)
&rst
ixpk= 2159, nxpk= 0, iat= 669, 681, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 45 ALA HN 46 ILE HB 6.15 (#peak 2162)
&rst
ixpk= 2162, nxpk= 0, iat= 669, 683, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 45 ALA HN 46 ILE HG13 5.51 (#peak 2673)
&rst
ixpk= 2673, nxpk= 0, iat= 669, 690, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 45 ALA HN 46 ILE QD1 5.21 (#peak 2160)
&rst
ixpk= 2160, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 692, 693, 694,
&end
#
# 45 ALA HA 48 LYS QB 4.30 (#peak 1048)
&rst
ixpk= 1048, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 716, 717,
&end
#
# 45 ALA QB 46 ILE HN 3.96 (#peak 197)
&rst
ixpk= 197, nxpk= 0, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 673, 674, 675,
&end
#
# 45 ALA QB 46 ILE HA 4.03 (#peak 736)
&rst
ixpk= 736, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 673, 674, 675,
&end
#
# 45 ALA QB 46 ILE HG13 3.87 (#peak 6437)
&rst
ixpk= 6437, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 673, 674, 675,
&end
#
# 46 ILE HN 46 ILE HB 3.98 (#peak 203)
&rst
ixpk= 203, nxpk= 0, iat= 679, 683, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 46 ILE HN 46 ILE HG12 4.70 (#peak 208)
&rst
ixpk= 208, nxpk= 0, iat= 679, 689, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 46 ILE HN 46 ILE HG13 5.05 (#peak 202)
&rst
ixpk= 202, nxpk= 0, iat= 679, 690, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 46 ILE HN 46 ILE QD1 4.02 (#peak 199)
&rst
ixpk= 199, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 692, 693, 694,
&end
#
# 46 ILE HN 46 ILE QG2 4.31 (#peak 201)
&rst
ixpk= 201, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 685, 686, 687,
&end
#
# 46 ILE HN 47 THR HN 3.58 (#peak 2065)
&rst
ixpk= 2065, nxpk= 0, iat= 679, 698, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 46 ILE HA 46 ILE HG12 4.17 (#peak 749)
&rst
ixpk= 749, nxpk= 0, iat= 681, 689, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 46 ILE HA 46 ILE HG13 4.13 (#peak 740)
&rst
ixpk= 740, nxpk= 0, iat= 681, 690, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 46 ILE HA 46 ILE QD1 4.29 (#peak 919)
&rst
ixpk= 919, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 692, 693, 694,
&end
#
# 46 ILE HA 46 ILE QG2 3.79 (#peak 3212)
&rst
ixpk= 3212, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 685, 686, 687,
&end
#
# 46 ILE HA 49 TYR HB2 4.03 (#peak 2666)
&rst
ixpk= 2666, nxpk= 0, iat= 681, 738, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 46 ILE HA 49 TYR HB3 5.64 (#peak 4344)
&rst
ixpk= 4344, nxpk= 0, iat= 681, 739, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &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 3.40 (#peak 923)
&rst
ixpk= 923, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 692, 693, 694,
&end
#
# 46 ILE HB 47 THR HN 4.44 (#peak 2071)
&rst
ixpk= 2071, nxpk= 0, iat= 683, 698, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 46 ILE HG12 47 THR HN 6.15 (#peak 2078)
&rst
ixpk= 2078, nxpk= 0, iat= 689, 698, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 46 ILE QD1 47 THR HN 4.40 (#peak 2069)
&rst
ixpk= 2069, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 692, 693, 694,
&end
#
# 46 ILE QG2 46 ILE HG12 3.29 (#peak 4522)
&rst
ixpk= 4522, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 685, 686, 687,
&end
#
# 46 ILE QG2 46 ILE HG13 3.17 (#peak 3214)
&rst
ixpk= 3214, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 685, 686, 687,
&end
#
# 46 ILE QG2 46 ILE QD1 3.16 (#peak 927)
&rst
ixpk= 927, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 685, 686, 687,
igr2= 692, 693, 694,
&end
#
# 46 ILE QG2 47 THR HN 4.42 (#peak 2070)
&rst
ixpk= 2070, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 685, 686, 687,
&end
#
# 46 ILE QG2 49 TYR HB2 4.89 (#peak 2674)
&rst
ixpk= 2674, nxpk= 0, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 685, 686, 687,
&end
#
# 46 ILE QG2 50 CYS HB3 4.48 (#peak 6509)
&rst
ixpk= 6509, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 685, 686, 687,
&end
#
# 47 THR HN 43 GLY O 2.4
&rst
ixpk= 6509, nxpk= 0, iat= 698, 653, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 47 THR HN 47 THR HB 3.69 (#peak 2066)
&rst
ixpk= 2066, nxpk= 0, iat= 698, 702, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 47 THR HN 47 THR QG2 4.52 (#peak 2074)
&rst
ixpk= 2074, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 704, 705, 706,
&end
#
# 47 THR HN 48 LYS HN 3.61 (#peak 2073)
&rst
ixpk= 2073, nxpk= 0, iat= 698, 712, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 47 THR HN 49 TYR HN 5.52 (#peak 2072)
&rst
ixpk= 2072, nxpk= 0, iat= 698, 734, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 47 THR HN 49 TYR HB2 6.15 (#peak 2582)
&rst
ixpk= 2582, nxpk= 0, iat= 698, 738, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 47 THR HA 47 THR QG2 3.33 (#peak 2353)
&rst
ixpk= 2353, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 704, 705, 706,
&end
#
# 47 THR HA 49 TYR HN 5.57 (#peak 1353)
&rst
ixpk= 1353, nxpk= 0, iat= 700, 734, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 47 THR HA 50 CYS HN 4.81 (#peak 2290)
&rst
ixpk= 2290, nxpk= 0, iat= 700, 755, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 47 THR HA 50 CYS HB2 5.02 (#peak 2351)
&rst
ixpk= 2351, nxpk= 0, iat= 700, 759, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 47 THR HA 50 CYS HB3 4.31 (#peak 15)
&rst
ixpk= 15, nxpk= 0, iat= 700, 760, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 47 THR HA 59 LEU QD1 4.59 (#peak 6891)
&rst
ixpk= 6891, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 903, 904, 905,
&end
#
# 47 THR HB 48 LYS HN 4.43 (#peak 1526)
&rst
ixpk= 1526, nxpk= 0, iat= 702, 712, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 47 THR N 43 GLY O 3.3
&rst
ixpk= 1526, nxpk= 0, iat= 697, 653, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 47 THR QG2 48 LYS HN 4.46 (#peak 1534)
&rst
ixpk= 1534, nxpk= 0, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 704, 705, 706,
&end
#
# 48 LYS HN 48 LYS HG2 5.09 (#peak 1530)
&rst
ixpk= 1530, nxpk= 0, iat= 712, 719, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 48 LYS HN 48 LYS HG3 4.45 (#peak 1525)
&rst
ixpk= 1525, nxpk= 0, iat= 712, 720, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 48 LYS HN 48 LYS QB 3.12 (#peak 1537)
&rst
ixpk= 1537, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 716, 717,
&end
#
# 48 LYS HN 49 TYR HN 3.73 (#peak 1532)
&rst
ixpk= 1532, nxpk= 0, iat= 712, 734, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 48 LYS HN 49 TYR HB2 5.79 (#peak 2588)
&rst
ixpk= 2588, nxpk= 0, iat= 712, 738, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 48 LYS HN 50 CYS HN 5.43 (#peak 2289)
&rst
ixpk= 2289, nxpk= 0, iat= 712, 755, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 48 LYS HA 48 LYS HG2 3.76 (#peak 111)
&rst
ixpk= 111, nxpk= 0, iat= 714, 719, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 48 LYS HA 48 LYS HG3 3.65 (#peak 5462)
&rst
ixpk= 5462, nxpk= 0, iat= 714, 720, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 48 LYS HA 50 CYS HN 5.46 (#peak 2281)
&rst
ixpk= 2281, nxpk= 0, iat= 714, 755, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 48 LYS HA 51 LYS QB 3.68 (#peak 110)
&rst
ixpk= 110, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 770, 771,
&end
#
# 48 LYS HG2 49 TYR HN 5.80 (#peak 1347)
&rst
ixpk= 1347, nxpk= 0, iat= 719, 734, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 48 LYS HG2 49 TYR HA 4.02 (#peak 1991)
&rst
ixpk= 1991, nxpk= 0, iat= 719, 736, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 48 LYS HG3 49 TYR HN 5.74 (#peak 1342)
&rst
ixpk= 1342, nxpk= 0, iat= 720, 734, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 48 LYS HG3 49 TYR HA 4.54 (#peak 2001)
&rst
ixpk= 2001, nxpk= 0, iat= 720, 736, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 48 LYS HG3 52 GLN HB2 4.34 (#peak 6139)
&rst
ixpk= 6139, nxpk= 0, iat= 720, 792, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 48 LYS HG3 52 GLN HB3 4.02 (#peak 6972)
&rst
ixpk= 6972, nxpk= 0, iat= 720, 793, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 48 LYS QB 48 LYS HG2 2.77 (#peak 1059)
&rst
ixpk= 1059, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 716, 717,
&end
#
# 48 LYS QB 48 LYS HG3 2.88 (#peak 5470)
&rst
ixpk= 5470, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr1= 716, 717,
&end
#
# 48 LYS QB 49 TYR HN 3.45 (#peak 1357)
&rst
ixpk= 1357, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 716, 717,
&end
#
# 49 TYR HN 49 TYR HB2 3.93 (#peak 1354)
&rst
ixpk= 1354, nxpk= 0, iat= 734, 738, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 49 TYR HN 49 TYR HB3 3.58 (#peak 1359)
&rst
ixpk= 1359, nxpk= 0, iat= 734, 739, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 49 TYR HN 49 TYR QD 4.40 (#peak 1344)
&rst
ixpk= 1344, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 742, 751,
&end
#
# 49 TYR HN 50 CYS HN 3.76 (#peak 1358)
&rst
ixpk= 1358, nxpk= 0, iat= 734, 755, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 49 TYR HN 50 CYS HA 6.11 (#peak 1348)
&rst
ixpk= 1348, nxpk= 0, iat= 734, 757, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 49 TYR HA 49 TYR QD 3.68 (#peak 1990)
&rst
ixpk= 1990, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 742, 751,
&end
#
# 49 TYR HA 51 LYS HN 5.07 (#peak 2591)
&rst
ixpk= 2591, nxpk= 0, iat= 736, 766, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 49 TYR HA 52 GLN HN 4.50 (#peak 961)
&rst
ixpk= 961, nxpk= 0, iat= 736, 788, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 TYR HA 52 GLN HB3 4.16 (#peak 1997)
&rst
ixpk= 1997, nxpk= 0, iat= 736, 793, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 49 TYR HB2 50 CYS HN 4.46 (#peak 2292)
&rst
ixpk= 2292, nxpk= 0, iat= 738, 755, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 49 TYR HB3 50 CYS HN 4.38 (#peak 2294)
&rst
ixpk= 2294, nxpk= 0, iat= 739, 755, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 49 TYR N 45 ALA O 3.3
&rst
ixpk= 2294, nxpk= 0, iat= 733, 677, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 49 TYR QD 50 CYS HN 4.60 (#peak 2282)
&rst
ixpk= 2282, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 742, 751,
&end
#
# 49 TYR QD 50 CYS HA 5.12 (#peak 1291)
&rst
ixpk= 1291, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 742, 751,
&end
#
# 50 CYS HN 50 CYS HB2 3.59 (#peak 2287)
&rst
ixpk= 2287, nxpk= 0, iat= 755, 759, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 50 CYS HN 50 CYS HB3 4.14 (#peak 2295)
&rst
ixpk= 2295, nxpk= 0, iat= 755, 760, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 50 CYS HA 53 GLU HB3 4.57 (#peak 1300)
&rst
ixpk= 1300, nxpk= 0, iat= 757, 810, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 50 CYS HA 54 LEU QD2 4.16 (#peak 3405)
&rst
ixpk= 3405, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 833, 834, 835,
&end
#
# 50 CYS HB2 51 LYS HN 4.57 (#peak 1857)
&rst
ixpk= 1857, nxpk= 0, iat= 759, 766, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 50 CYS HB2 54 LEU QD1 4.97 (#peak 6478)
&rst
ixpk= 6478, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 829, 830, 831,
&end
#
# 50 CYS HB3 54 LEU QD1 4.66 (#peak 6642)
&rst
ixpk= 6642, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 829, 830, 831,
&end
#
# 51 LYS HN 51 LYS QB 4.12 (#peak 1851)
&rst
ixpk= 1851, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 770, 771,
&end
#
# 51 LYS HN 51 LYS QD 4.57 (#peak 1856)
&rst
ixpk= 1856, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 776, 777,
&end
#
# 51 LYS HN 52 GLN HN 3.41 (#peak 965)
&rst
ixpk= 965, nxpk= 0, iat= 766, 788, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 51 LYS HN 59 LEU QD1 4.34 (#peak 7059)
&rst
ixpk= 7059, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 903, 904, 905,
&end
#
# 51 LYS HA 51 LYS QD 3.65 (#peak 4364)
&rst
ixpk= 4364, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 776, 777,
&end
#
# 51 LYS HA 54 LEU QB 5.37 (#peak 5046)
&rst
ixpk= 5046, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 824, 825,
&end
#
# 51 LYS HA 54 LEU QD1 4.21 (#peak 7006)
&rst
ixpk= 7006, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 829, 830, 831,
&end
#
# 51 LYS HA 54 LEU QD2 5.09 (#peak 7007)
&rst
ixpk= 7007, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 833, 834, 835,
&end
#
# 51 LYS HA 56 THR QG2 4.17 (#peak 6641)
&rst
ixpk= 6641, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 857, 858, 859,
&end
#
# 51 LYS QB 51 LYS QD 3.58 (#peak 1893)
&rst
ixpk= 1893, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 770, 771,
igr2= 776, 777,
&end
#
# 51 LYS QB 56 THR QG2 4.97 (#peak 6757)
&rst
ixpk= 6757, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 770, 771,
igr2= 857, 858, 859,
&end
#
# 51 LYS QD 52 GLN HN 4.98 (#peak 960)
&rst
ixpk= 960, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 776, 777,
&end
#
# 51 LYS QD 52 GLN HA 4.66 (#peak 1898)
&rst
ixpk= 1898, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 776, 777,
&end
#
# 51 LYS QD 56 THR QG2 4.15 (#peak 6580)
&rst
ixpk= 6580, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 776, 777,
igr2= 857, 858, 859,
&end
#
# 51 LYS QD 57 GLU HA 4.52 (#peak 6767)
&rst
ixpk= 6767, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 776, 777,
&end
#
# 51 LYS QD 57 GLU HG3 4.22 (#peak 6766)
&rst
ixpk= 6766, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 776, 777,
&end
#
# 51 LYS QD 58 THR HN 5.89 (#peak 2676)
&rst
ixpk= 2676, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 776, 777,
&end
#
# 52 GLN HN 52 GLN HB2 3.96 (#peak 955)
&rst
ixpk= 955, nxpk= 0, iat= 788, 792, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 52 GLN HN 52 GLN HB3 4.06 (#peak 959)
&rst
ixpk= 959, nxpk= 0, iat= 788, 793, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 52 GLN HN 52 GLN HG2 5.46 (#peak 953)
&rst
ixpk= 953, nxpk= 0, iat= 788, 795, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 52 GLN HN 52 GLN HG3 4.58 (#peak 963)
&rst
ixpk= 963, nxpk= 0, iat= 788, 796, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 52 GLN HN 53 GLU HN 3.54 (#peak 956)
&rst
ixpk= 956, nxpk= 0, iat= 788, 805, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 52 GLN HA 52 GLN HG2 3.88 (#peak 610)
&rst
ixpk= 610, nxpk= 0, iat= 790, 795, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 52 GLN HA 52 GLN HG3 3.76 (#peak 4048)
&rst
ixpk= 4048, nxpk= 0, iat= 790, 796, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 52 GLN HB2 52 GLN HG2 3.01 (#peak 6130)
&rst
ixpk= 6130, nxpk= 0, iat= 792, 795, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 52 GLN HB3 52 GLN HG2 2.71 (#peak 608)
&rst
ixpk= 608, nxpk= 0, iat= 793, 795, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 52 GLN HB3 53 GLU HN 4.68 (#peak 625)
&rst
ixpk= 625, nxpk= 0, iat= 793, 805, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 52 GLN HB3 54 LEU HN 5.92 (#peak 2696)
&rst
ixpk= 2696, nxpk= 0, iat= 793, 820, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 52 GLN HG3 53 GLU HN 4.99 (#peak 630)
&rst
ixpk= 630, nxpk= 0, iat= 796, 805, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 52 GLN HG3 53 GLU HA 4.75 (#peak 4047)
&rst
ixpk= 4047, nxpk= 0, iat= 796, 807, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 53 GLU HN 49 TYR O 2.4
&rst
ixpk= 4047, nxpk= 0, iat= 805, 753, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 53 GLU HN 53 GLU HB2 4.11 (#peak 633)
&rst
ixpk= 633, nxpk= 0, iat= 805, 809, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 53 GLU HN 53 GLU HG2 5.22 (#peak 628)
&rst
ixpk= 628, nxpk= 0, iat= 805, 812, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 53 GLU HN 53 GLU HG3 4.94 (#peak 637)
&rst
ixpk= 637, nxpk= 0, iat= 805, 813, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 53 GLU HN 54 LEU HN 3.53 (#peak 354)
&rst
ixpk= 354, nxpk= 0, iat= 805, 820, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 53 GLU HN 55 ASP HN 5.05 (#peak 2653)
&rst
ixpk= 2653, nxpk= 0, iat= 805, 839, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 53 GLU HA 53 GLU HG2 3.88 (#peak 3623)
&rst
ixpk= 3623, nxpk= 0, iat= 807, 812, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 53 GLU HA 53 GLU HG3 3.96 (#peak 3630)
&rst
ixpk= 3630, nxpk= 0, iat= 807, 813, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 53 GLU HA 54 LEU QD2 4.73 (#peak 6476)
&rst
ixpk= 6476, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 833, 834, 835,
&end
#
# 53 GLU HA 55 ASP HN 6.03 (#peak 2138)
&rst
ixpk= 2138, nxpk= 0, iat= 807, 839, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 53 GLU HB2 54 LEU HN 4.64 (#peak 360)
&rst
ixpk= 360, nxpk= 0, iat= 809, 820, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 53 GLU HB3 54 LEU HN 5.01 (#peak 365)
&rst
ixpk= 365, nxpk= 0, iat= 810, 820, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 53 GLU HB3 54 LEU QD2 4.10 (#peak 3933)
&rst
ixpk= 3933, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 833, 834, 835,
&end
#
# 53 GLU HG2 54 LEU QD2 3.87 (#peak 2149)
&rst
ixpk= 2149, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 833, 834, 835,
&end
#
# 53 GLU HG3 54 LEU QD2 3.61 (#peak 4886)
&rst
ixpk= 4886, nxpk= 0, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 833, 834, 835,
&end
#
# 53 GLU N 49 TYR O 3.3
&rst
ixpk= 4886, 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= 4886, nxpk= 0, iat= 820, 764, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 54 LEU HN 54 LEU HG 5.22 (#peak 366)
&rst
ixpk= 366, nxpk= 0, iat= 820, 827, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 54 LEU HN 54 LEU QB 3.72 (#peak 361)
&rst
ixpk= 361, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 824, 825,
&end
#
# 54 LEU HN 54 LEU QD1 4.72 (#peak 359)
&rst
ixpk= 359, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 829, 830, 831,
&end
#
# 54 LEU HN 54 LEU QD2 3.83 (#peak 356)
&rst
ixpk= 356, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 833, 834, 835,
&end
#
# 54 LEU HN 55 ASP HN 3.13 (#peak 362)
&rst
ixpk= 362, nxpk= 0, iat= 820, 839, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 54 LEU HN 56 THR QG2 5.55 (#peak 2674)
&rst
ixpk= 2674, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2= 857, 858, 859,
&end
#
# 54 LEU HA 54 LEU HG 3.79 (#peak 54)
&rst
ixpk= 54, nxpk= 0, iat= 822, 827, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 54 LEU HA 54 LEU QD1 4.12 (#peak 2633)
&rst
ixpk= 2633, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 829, 830, 831,
&end
#
# 54 LEU HA 54 LEU QD2 3.14 (#peak 3413)
&rst
ixpk= 3413, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 833, 834, 835,
&end
#
# 54 LEU HG 55 ASP HN 5.56 (#peak 2140)
&rst
ixpk= 2140, nxpk= 0, iat= 827, 839, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 54 LEU HG 56 THR HN 5.52 (#peak 2711)
&rst
ixpk= 2711, nxpk= 0, iat= 827, 851, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 54 LEU HG 56 THR HB 6.06 (#peak 6665)
&rst
ixpk= 6665, nxpk= 0, iat= 827, 855, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 54 LEU N 50 CYS O 3.3
&rst
ixpk= 6665, nxpk= 0, iat= 819, 764, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 54 LEU QB 54 LEU QD1 3.15 (#peak 2635)
&rst
ixpk= 2635, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 824, 825,
igr2= 829, 830, 831,
&end
#
# 54 LEU QB 54 LEU QD2 3.00 (#peak 3418)
&rst
ixpk= 3418, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 824, 825,
igr2= 833, 834, 835,
&end
#
# 54 LEU QB 55 ASP HN 3.96 (#peak 2136)
&rst
ixpk= 2136, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 824, 825,
&end
#
# 54 LEU QB 56 THR HN 5.86 (#peak 554)
&rst
ixpk= 554, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 824, 825,
&end
#
# 54 LEU QD1 55 ASP HN 5.50 (#peak 2134)
&rst
ixpk= 2134, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 829, 830, 831,
&end
#
# 54 LEU QD1 56 THR HN 6.15 (#peak 2901)
&rst
ixpk= 2901, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 829, 830, 831,
&end
#
# 54 LEU QD1 56 THR QG2 4.12 (#peak 1209)
&rst
ixpk= 1209, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 829, 830, 831,
igr2= 857, 858, 859,
&end
#
# 54 LEU QD2 56 THR HN 5.78 (#peak 551)
&rst
ixpk= 551, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 833, 834, 835,
&end
#
# 54 LEU QD2 56 THR QG2 4.22 (#peak 7024)
&rst
ixpk= 7024, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 833, 834, 835,
igr2= 857, 858, 859,
&end
#
# 55 ASP HN 55 ASP HB2 3.72 (#peak 2124)
&rst
ixpk= 2124, nxpk= 0, iat= 839, 843, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 55 ASP HN 55 ASP HB3 3.86 (#peak 2131)
&rst
ixpk= 2131, nxpk= 0, iat= 839, 844, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 55 ASP HN 56 THR HN 4.27 (#peak 555)
&rst
ixpk= 555, nxpk= 0, iat= 839, 851, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 55 ASP HN 56 THR QG2 5.13 (#peak 2675)
&rst
ixpk= 2675, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 857, 858, 859,
&end
#
# 55 ASP HB2 56 THR HN 5.86 (#peak 542)
&rst
ixpk= 542, nxpk= 0, iat= 843, 851, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 55 ASP HB3 56 THR HN 4.56 (#peak 549)
&rst
ixpk= 549, nxpk= 0, iat= 844, 851, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 56 THR HN 56 THR HB 4.09 (#peak 552)
&rst
ixpk= 552, nxpk= 0, iat= 851, 855, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 56 THR HN 56 THR QG2 3.72 (#peak 547)
&rst
ixpk= 547, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 857, 858, 859,
&end
#
# 56 THR HN 57 GLU HN 5.62 (#peak 548)
&rst
ixpk= 548, nxpk= 0, iat= 851, 865, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 56 THR HA 56 THR QG2 3.26 (#peak 1213)
&rst
ixpk= 1213, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 857, 858, 859,
&end
#
# 56 THR HA 58 THR HN 5.39 (#peak 1098)
&rst
ixpk= 1098, nxpk= 0, iat= 853, 880, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 56 THR HB 57 GLU HN 5.20 (#peak 1077)
&rst
ixpk= 1077, nxpk= 0, iat= 855, 865, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 56 THR HB 58 THR HN 5.81 (#peak 1093)
&rst
ixpk= 1093, nxpk= 0, iat= 855, 880, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 56 THR QG2 57 GLU HN 4.79 (#peak 1073)
&rst
ixpk= 1073, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 857, 858, 859,
&end
#
# 56 THR QG2 58 THR HN 5.65 (#peak 1088)
&rst
ixpk= 1088, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 857, 858, 859,
&end
#
# 56 THR QG2 58 THR QG2 3.70 (#peak 6950)
&rst
ixpk= 6950, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 857, 858, 859,
igr2= 886, 887, 888,
&end
#
# 57 GLU HN 57 GLU HG2 5.20 (#peak 1072)
&rst
ixpk= 1072, nxpk= 0, iat= 865, 872, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 57 GLU HN 57 GLU HG3 5.06 (#peak 1080)
&rst
ixpk= 1080, nxpk= 0, iat= 865, 873, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 57 GLU HN 58 THR HN 4.80 (#peak 1075)
&rst
ixpk= 1075, nxpk= 0, iat= 865, 880, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 57 GLU HN 59 LEU HB3 6.15 (#peak 2715)
&rst
ixpk= 2715, nxpk= 0, iat= 865, 899, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 57 GLU HA 57 GLU HG2 3.77 (#peak 391)
&rst
ixpk= 391, nxpk= 0, iat= 867, 872, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 57 GLU HA 57 GLU HG3 3.89 (#peak 2989)
&rst
ixpk= 2989, nxpk= 0, iat= 867, 873, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 57 GLU HG2 58 THR HN 5.78 (#peak 1087)
&rst
ixpk= 1087, nxpk= 0, iat= 872, 880, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 57 GLU HG2 58 THR QG2 4.58 (#peak 6692)
&rst
ixpk= 6692, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 886, 887, 888,
&end
#
# 57 GLU HG3 58 THR HN 6.15 (#peak 1096)
&rst
ixpk= 1096, nxpk= 0, iat= 873, 880, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 57 GLU QB 57 GLU HG2 2.44 (#peak 5309)
&rst
ixpk= 5309, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,
igr1= 869, 870,
&end
#
# 57 GLU QB 57 GLU HG3 2.49 (#peak 2993)
&rst
ixpk= 2993, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
igr1= 869, 870,
&end
#
# 57 GLU QB 58 THR HN 4.22 (#peak 1097)
&rst
ixpk= 1097, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 869, 870,
&end
#
# 58 THR HN 58 THR QG2 4.04 (#peak 1094)
&rst
ixpk= 1094, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 886, 887, 888,
&end
#
# 58 THR HN 59 LEU HN 5.56 (#peak 1314)
&rst
ixpk= 1314, nxpk= 0, iat= 880, 894, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 58 THR HN 59 LEU QD1 5.98 (#peak 1092)
&rst
ixpk= 1092, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2= 903, 904, 905,
&end
#
# 58 THR HA 58 THR QG2 3.26 (#peak 2322)
&rst
ixpk= 2322, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 886, 887, 888,
&end
#
# 58 THR HB 59 LEU HN 5.36 (#peak 1311)
&rst
ixpk= 1311, nxpk= 0, iat= 884, 894, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 58 THR QG2 59 LEU HN 4.77 (#peak 1318)
&rst
ixpk= 1318, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 886, 887, 888,
&end
#
# 59 LEU HN 59 LEU HG 5.47 (#peak 1322)
&rst
ixpk= 1322, nxpk= 0, iat= 894, 901, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 59 LEU HN 59 LEU QD1 5.53 (#peak 1316)
&rst
ixpk= 1316, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2= 903, 904, 905,
&end
#
# 59 LEU HN 59 LEU QD2 5.10 (#peak 1317)
&rst
ixpk= 1317, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 907, 908, 909,
&end
#
# 59 LEU HN 60 GLY HN 5.41 (#peak 1312)
&rst
ixpk= 1312, nxpk= 0, iat= 894, 913, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 59 LEU HA 59 LEU QD1 4.30 (#peak 972)
&rst
ixpk= 972, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 903, 904, 905,
&end
#
# 59 LEU HA 59 LEU QD2 3.99 (#peak 974)
&rst
ixpk= 974, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 907, 908, 909,
&end
#
# 59 LEU HB2 59 LEU QD1 3.58 (#peak 2689)
&rst
ixpk= 2689, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 903, 904, 905,
&end
#
# 59 LEU HB2 59 LEU QD2 3.15 (#peak 2525)
&rst
ixpk= 2525, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 907, 908, 909,
&end
#
# 59 LEU HB2 60 GLY HN 5.14 (#peak 512)
&rst
ixpk= 512, nxpk= 0, iat= 898, 913, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 59 LEU HB3 59 LEU QD1 3.41 (#peak 5441)
&rst
ixpk= 5441, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 903, 904, 905,
&end
#
# 59 LEU HB3 59 LEU QD2 3.33 (#peak 2528)
&rst
ixpk= 2528, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 907, 908, 909,
&end
#
# 59 LEU HB3 60 GLY HN 5.13 (#peak 502)
&rst
ixpk= 502, nxpk= 0, iat= 899, 913, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 59 LEU HG 60 GLY HN 5.54 (#peak 514)
&rst
ixpk= 514, nxpk= 0, iat= 901, 913, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 59 LEU QD1 60 GLY HN 4.83 (#peak 510)
&rst
ixpk= 510, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 903, 904, 905,
&end
#
# 59 LEU QD2 60 GLY HN 4.73 (#peak 511)
&rst
ixpk= 511, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 907, 908, 909,
&end
#
# 60 GLY HN 61 THR HN 4.92 (#peak 505)
&rst
ixpk= 505, nxpk= 0, iat= 913, 920, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 60 GLY HN 79 ASN HB2 6.15 (#peak 2826)
&rst
ixpk= 2826, nxpk= 0, iat= 913,1181, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 60 GLY HN 79 ASN HB3 6.15 (#peak 507)
&rst
ixpk= 507, nxpk= 0, iat= 913,1182, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 61 THR HN 61 THR HB 3.98 (#peak 429)
&rst
ixpk= 429, nxpk= 0, iat= 920, 924, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 61 THR HN 61 THR QG2 3.97 (#peak 425)
&rst
ixpk= 425, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 926, 927, 928,
&end
#
# 61 THR HN 62 CYS HN 4.60 (#peak 428)
&rst
ixpk= 428, nxpk= 0, iat= 920, 934, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 61 THR HN 78 THR HN 5.94 (#peak 1225)
&rst
ixpk= 1225, nxpk= 0, iat= 920,1163, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 61 THR HN 79 ASN HB3 5.78 (#peak 424)
&rst
ixpk= 424, nxpk= 0, iat= 920,1182, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 61 THR HA 61 THR QG2 3.26 (#peak 5474)
&rst
ixpk= 5474, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 926, 927, 928,
&end
#
# 61 THR HB 62 CYS HN 5.53 (#peak 1674)
&rst
ixpk= 1674, nxpk= 0, iat= 924, 934, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 61 THR HB 78 THR HN 5.85 (#peak 1236)
&rst
ixpk= 1236, nxpk= 0, iat= 924,1163, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 61 THR HB 78 THR QG2 3.32 (#peak 6664)
&rst
ixpk= 6664, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1169,1170,1171,
&end
#
# 61 THR HB 79 ASN HB2 3.76 (#peak 6989)
&rst
ixpk= 6989, nxpk= 0, iat= 924,1181, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 61 THR HB 79 ASN HB3 4.10 (#peak 6988)
&rst
ixpk= 6988, nxpk= 0, iat= 924,1182, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 61 THR HB 79 ASN HD21 5.97 (#peak 7004)
&rst
ixpk= 7004, nxpk= 0, iat= 924,1186, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 61 THR QG2 62 CYS HN 4.31 (#peak 1670)
&rst
ixpk= 1670, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 926, 927, 928,
&end
#
# 61 THR QG2 79 ASN HD22 4.84 (#peak 7005)
&rst
ixpk= 7005, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 926, 927, 928,
&end
#
# 62 CYS HN 62 CYS HB2 3.66 (#peak 1673)
&rst
ixpk= 1673, nxpk= 0, iat= 934, 938, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 62 CYS HN 62 CYS HB3 3.28 (#peak 1668)
&rst
ixpk= 1668, nxpk= 0, iat= 934, 939, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 62 CYS HN 63 ILE HN 5.61 (#peak 2322)
&rst
ixpk= 2322, nxpk= 0, iat= 934, 945, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 62 CYS HN 78 THR QG2 4.47 (#peak 2552)
&rst
ixpk= 2552, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1169,1170,1171,
&end
#
# 62 CYS HA 63 ILE HN 2.98 (#peak 2320)
&rst
ixpk= 2320, nxpk= 0, iat= 936, 945, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 62 CYS HA 77 VAL HA 5.51 (#peak 6323)
&rst
ixpk= 6323, nxpk= 0, iat= 936,1149, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 62 CYS HA 78 THR HN 5.13 (#peak 1232)
&rst
ixpk= 1232, nxpk= 0, iat= 936,1163, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 62 CYS HB2 63 ILE HN 4.81 (#peak 2324)
&rst
ixpk= 2324, nxpk= 0, iat= 938, 945, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 62 CYS HB2 78 THR QG2 3.60 (#peak 6918)
&rst
ixpk= 6918, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1169,1170,1171,
&end
#
# 62 CYS HB3 63 ILE HN 4.65 (#peak 2315)
&rst
ixpk= 2315, nxpk= 0, iat= 939, 945, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 62 CYS HB3 78 THR QG2 3.85 (#peak 6917)
&rst
ixpk= 6917, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1169,1170,1171,
&end
#
# 63 ILE HN 63 ILE HB 4.17 (#peak 2328)
&rst
ixpk= 2328, nxpk= 0, iat= 945, 949, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 63 ILE HN 63 ILE HG12 5.55 (#peak 2314)
&rst
ixpk= 2314, nxpk= 0, iat= 945, 955, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 63 ILE HN 63 ILE HG13 5.02 (#peak 2321)
&rst
ixpk= 2321, nxpk= 0, iat= 945, 956, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 63 ILE HN 63 ILE QD1 5.62 (#peak 2326)
&rst
ixpk= 2326, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2= 958, 959, 960,
&end
#
# 63 ILE HN 63 ILE QG2 4.94 (#peak 2316)
&rst
ixpk= 2316, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 951, 952, 953,
&end
#
# 63 ILE HN 64 ASP HN 4.64 (#peak 2325)
&rst
ixpk= 2325, nxpk= 0, iat= 945, 964, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 63 ILE HN 75 CYS HB2 5.96 (#peak 2774)
&rst
ixpk= 2774, nxpk= 0, iat= 945,1118, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 63 ILE HN 76 LYS HN 6.15 (#peak 2317)
&rst
ixpk= 2317, nxpk= 0, iat= 945,1125, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 63 ILE HN 77 VAL HA 4.78 (#peak 4358)
&rst
ixpk= 4358, nxpk= 0, iat= 945,1149, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 63 ILE HN 77 VAL QQG 4.57 (#peak 1882)
&rst
ixpk= 1882, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1153,1154,1155,1157,1158,1159,
&end
#
# 63 ILE HA 63 ILE HG12 3.79 (#peak 770)
&rst
ixpk= 770, nxpk= 0, iat= 947, 955, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 63 ILE HA 63 ILE HG13 4.25 (#peak 153)
&rst
ixpk= 153, nxpk= 0, iat= 947, 956, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 63 ILE HA 63 ILE QD1 3.84 (#peak 156)
&rst
ixpk= 156, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 958, 959, 960,
&end
#
# 63 ILE HA 63 ILE QG2 3.61 (#peak 152)
&rst
ixpk= 152, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 951, 952, 953,
&end
#
# 63 ILE HB 63 ILE HG12 3.02 (#peak 778)
&rst
ixpk= 778, nxpk= 0, iat= 949, 955, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 63 ILE HB 63 ILE QD1 3.27 (#peak 5077)
&rst
ixpk= 5077, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 958, 959, 960,
&end
#
# 63 ILE HG12 64 ASP HN 5.20 (#peak 1813)
&rst
ixpk= 1813, nxpk= 0, iat= 955, 964, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 63 ILE QD1 64 ASP HN 6.07 (#peak 1823)
&rst
ixpk= 1823, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1= 958, 959, 960,
&end
#
# 63 ILE QD1 77 VAL HA 5.61 (#peak 5074)
&rst
ixpk= 5074, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 958, 959, 960,
&end
#
# 63 ILE QD1 77 VAL QQG 3.84 (#peak 5068)
&rst
ixpk= 5068, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 958, 959, 960,
igr2=1153,1154,1155,1157,1158,1159,
&end
#
# 63 ILE QD1 78 THR HN 5.73 (#peak 2698)
&rst
ixpk= 2698, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 958, 959, 960,
&end
#
# 63 ILE QG2 63 ILE HG12 3.19 (#peak 772)
&rst
ixpk= 772, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 951, 952, 953,
&end
#
# 63 ILE QG2 63 ILE HG13 3.37 (#peak 2134)
&rst
ixpk= 2134, nxpk= 0, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 951, 952, 953,
&end
#
# 63 ILE QG2 63 ILE QD1 3.61 (#peak 5066)
&rst
ixpk= 5066, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 951, 952, 953,
igr2= 958, 959, 960,
&end
#
# 63 ILE QG2 64 ASP HN 4.54 (#peak 1815)
&rst
ixpk= 1815, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 951, 952, 953,
&end
#
# 64 ASP HN 64 ASP HB2 4.05 (#peak 1816)
&rst
ixpk= 1816, nxpk= 0, iat= 964, 968, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 64 ASP HN 64 ASP HB3 4.20 (#peak 1827)
&rst
ixpk= 1827, nxpk= 0, iat= 964, 969, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 64 ASP HN 65 PHE HN 4.47 (#peak 1333)
&rst
ixpk= 1333, nxpk= 0, iat= 964, 976, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 64 ASP HN 76 LYS HN 5.73 (#peak 1817)
&rst
ixpk= 1817, nxpk= 0, iat= 964,1125, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 64 ASP HN 76 LYS HB2 5.29 (#peak 1818)
&rst
ixpk= 1818, nxpk= 0, iat= 964,1129, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 64 ASP HA 76 LYS HN 6.15 (#peak 911)
&rst
ixpk= 911, nxpk= 0, iat= 966,1125, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 64 ASP HB3 65 PHE HN 5.23 (#peak 1336)
&rst
ixpk= 1336, nxpk= 0, iat= 969, 976, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 64 ASP HB3 66 GLN HE21 5.90 (#peak 2726)
&rst
ixpk= 2726, nxpk= 0, iat= 969,1008, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 64 ASP HB3 75 CYS HA 4.42 (#peak 6647)
&rst
ixpk= 6647, nxpk= 0, iat= 969,1116, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 64 ASP HB3 76 LYS HN 6.14 (#peak 921)
&rst
ixpk= 921, nxpk= 0, iat= 969,1125, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 65 PHE HN 65 PHE QD 5.28 (#peak 1335)
&rst
ixpk= 1335, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 984, 992,
&end
#
# 65 PHE HN 66 GLN HN 4.89 (#peak 387)
&rst
ixpk= 387, nxpk= 0, iat= 976, 996, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 65 PHE HN 75 CYS HA 6.12 (#peak 1327)
&rst
ixpk= 1327, nxpk= 0, iat= 976,1116, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end
#
# 65 PHE HN 75 CYS HB2 5.56 (#peak 1324)
&rst
ixpk= 1324, nxpk= 0, iat= 976,1118, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 65 PHE HA 65 PHE QD 3.83 (#peak 1693)
&rst
ixpk= 1693, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 984, 992,
&end
#
# 65 PHE HA 75 CYS HB3 4.17 (#peak 6334)
&rst
ixpk= 6334, nxpk= 0, iat= 978,1119, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 65 PHE HB2 66 GLN HN 5.01 (#peak 390)
&rst
ixpk= 390, nxpk= 0, iat= 980, 996, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 65 PHE HB3 66 GLN HN 4.81 (#peak 384)
&rst
ixpk= 384, nxpk= 0, iat= 981, 996, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 65 PHE QD 67 VAL QQG 4.02 (#peak 7131)
&rst
ixpk= 7131, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 984, 992,
igr2=1019,1020,1021,1023,1024,1025,
&end
#
# 65 PHE QD 73 ILE QG1 4.32 (#peak 6776)
&rst
ixpk= 6776, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 984, 992,
igr2=1094,1095,
&end
#
# 65 PHE QD 73 ILE QG2 4.33 (#peak 6522)
&rst
ixpk= 6522, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 984, 992,
igr2=1090,1091,1092,
&end
#
# 66 GLN HN 66 GLN HB3 3.70 (#peak 392)
&rst
ixpk= 392, nxpk= 0, iat= 996,1001, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 66 GLN HN 66 GLN HG2 5.45 (#peak 389)
&rst
ixpk= 389, nxpk= 0, iat= 996,1003, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 66 GLN HN 66 GLN HG3 5.31 (#peak 377)
&rst
ixpk= 377, nxpk= 0, iat= 996,1004, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 66 GLN HN 67 VAL HN 5.46 (#peak 559)
&rst
ixpk= 559, nxpk= 0, iat= 996,1013, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 66 GLN HN 73 ILE HB 5.99 (#peak 2705)
&rst
ixpk= 2705, nxpk= 0, iat= 996,1088, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 66 GLN HN 74 SER HB2 6.15 (#peak 2704)
&rst
ixpk= 2704, nxpk= 0, iat= 996,1107, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 66 GLN HN 74 SER HB3 6.15 (#peak 374)
&rst
ixpk= 374, nxpk= 0, iat= 996,1108, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 66 GLN HN 74 SER O 2.4
&rst
ixpk= 374, nxpk= 0, iat= 996,1112, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 66 GLN HN 75 CYS HA 5.08 (#peak 381)
&rst
ixpk= 381, nxpk= 0, iat= 996,1116, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 66 GLN HN 75 CYS HB2 5.63 (#peak 2731)
&rst
ixpk= 2731, nxpk= 0, iat= 996,1118, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 66 GLN HA 66 GLN HE21 4.77 (#peak 587)
&rst
ixpk= 587, nxpk= 0, iat= 998,1008, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 66 GLN HA 66 GLN HE22 5.03 (#peak 1740)
&rst
ixpk= 1740, nxpk= 0, iat= 998,1009, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 66 GLN HA 66 GLN HG2 3.97 (#peak 129)
&rst
ixpk= 129, nxpk= 0, iat= 998,1003, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 66 GLN HA 66 GLN HG3 3.78 (#peak 132)
&rst
ixpk= 132, nxpk= 0, iat= 998,1004, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 66 GLN HA 67 VAL HN 3.13 (#peak 563)
&rst
ixpk= 563, nxpk= 0, iat= 998,1013, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 66 GLN HB2 66 GLN HE22 5.34 (#peak 1741)
&rst
ixpk= 1741, nxpk= 0, iat=1000,1009, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 66 GLN HB2 67 VAL HN 5.33 (#peak 565)
&rst
ixpk= 565, nxpk= 0, iat=1000,1013, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 66 GLN HB3 66 GLN HE21 4.41 (#peak 591)
&rst
ixpk= 591, nxpk= 0, iat=1001,1008, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 66 GLN HB3 66 GLN HG2 2.89 (#peak 3309)
&rst
ixpk= 3309, nxpk= 0, iat=1001,1003, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 66 GLN HB3 67 VAL HN 5.68 (#peak 570)
&rst
ixpk= 570, nxpk= 0, iat=1001,1013, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 66 GLN HB3 74 SER HB3 4.01 (#peak 4482)
&rst
ixpk= 4482, nxpk= 0, iat=1001,1108, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 66 GLN HE21 74 SER HA 6.15 (#peak 2724)
&rst
ixpk= 2724, nxpk= 0, iat=1008,1105, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 66 GLN HE21 76 LYS HE2 6.15 (#peak 2725)
&rst
ixpk= 2725, nxpk= 0, iat=1008,1138, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 66 GLN HG2 66 GLN HE21 3.84 (#peak 590)
&rst
ixpk= 590, nxpk= 0, iat=1003,1008, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 66 GLN HG2 74 SER HB3 4.39 (#peak 6328)
&rst
ixpk= 6328, nxpk= 0, iat=1003,1108, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 66 GLN HG3 74 SER HB3 5.46 (#peak 6213)
&rst
ixpk= 6213, nxpk= 0, iat=1004,1108, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 66 GLN N 74 SER O 3.3
&rst
ixpk= 6213, nxpk= 0, iat= 995,1112, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 67 VAL HN 67 VAL HB 3.83 (#peak 568)
&rst
ixpk= 568, nxpk= 0, iat=1013,1017, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 67 VAL HN 67 VAL QQG 4.10 (#peak 561)
&rst
ixpk= 561, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1019,1020,1021,1023,1024,1025,
&end
#
# 67 VAL HN 68 VAL HN 4.75 (#peak 567)
&rst
ixpk= 567, nxpk= 0, iat=1013,1029, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 67 VAL HA 67 VAL QQG 3.39 (#peak 6074)
&rst
ixpk= 6074, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1019,1020,1021,1023,1024,1025,
&end
#
# 67 VAL HA 73 ILE QD1 3.75 (#peak 1415)
&rst
ixpk= 1415, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1097,1098,1099,
&end
#
# 67 VAL HA 73 ILE QG1 4.64 (#peak 6583)
&rst
ixpk= 6583, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1094,1095,
&end
#
# 67 VAL HA 73 ILE QG2 5.31 (#peak 6342)
&rst
ixpk= 6342, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1090,1091,1092,
&end
#
# 67 VAL HB 68 VAL HN 4.39 (#peak 1931)
&rst
ixpk= 1931, nxpk= 0, iat=1017,1029, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 67 VAL QQG 68 VAL HN 4.87 (#peak 1922)
&rst
ixpk= 1922, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1019,1020,1021,1023,1024,1025,
&end
#
# 67 VAL QQG 73 ILE QD1 3.18 (#peak 6344)
&rst
ixpk= 6344, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1019,1020,1021,1023,1024,1025,
igr2=1097,1098,1099,
&end
#
# 68 VAL HN 68 VAL QG1 3.95 (#peak 1924)
&rst
ixpk= 1924, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1035,1036,1037,
&end
#
# 68 VAL HN 69 PRO HD3 5.16 (#peak 1928)
&rst
ixpk= 1928, nxpk= 0, iat=1029,1047, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 68 VAL HN 72 GLY HN 5.34 (#peak 1198)
&rst
ixpk= 1198, nxpk= 0, iat=1029,1077, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 68 VAL HN 73 ILE HA 5.54 (#peak 1925)
&rst
ixpk= 1925, nxpk= 0, iat=1029,1086, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 68 VAL HA 68 VAL QG1 3.43 (#peak 574)
&rst
ixpk= 574, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1035,1036,1037,
&end
#
# 68 VAL HB 69 PRO HD2 5.15 (#peak 4132)
&rst
ixpk= 4132, nxpk= 0, iat=1033,1046, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 68 VAL HB 72 GLY HN 5.70 (#peak 2566)
&rst
ixpk= 2566, nxpk= 0, iat=1033,1077, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 68 VAL QG1 69 PRO HD3 3.97 (#peak 7012)
&rst
ixpk= 7012, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1035,1036,1037,
&end
#
# 68 VAL QG1 71 CYS HN 5.37 (#peak 340)
&rst
ixpk= 340, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1035,1036,1037,
&end
#
# 68 VAL QG1 72 GLY HN 5.04 (#peak 1190)
&rst
ixpk= 1190, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1035,1036,1037,
&end
#
# 69 PRO HA 71 CYS HN 4.59 (#peak 7060)
&rst
ixpk= 7060, nxpk= 0, iat=1055,1066, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 69 PRO HB2 70 GLY HN 4.65 (#peak 2151)
&rst
ixpk= 2151, nxpk= 0, iat=1052,1059, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 70 GLY HN 186 atp H40 4.68 (#peak 2897)
&rst
ixpk= 2897, nxpk= 0, iat=1059,2839, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 70 GLY HN 71 CYS HN 4.38 (#peak 346)
&rst
ixpk= 346, nxpk= 0, iat=1059,1066, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 70 GLY HN 71 CYS HA 5.66 (#peak 2823)
&rst
ixpk= 2823, nxpk= 0, iat=1059,1068, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 70 GLY HA3 138 ASN HD21 6.15 (#peak 2900)
&rst
ixpk= 2900, nxpk= 0, iat=1062,2082, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 71 CYS HN 138 ASN HD22 6.15 (#peak 2899)
&rst
ixpk= 2899, nxpk= 0, iat=1066,2083, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 71 CYS HN 72 GLY HN 3.22 (#peak 1189)
&rst
ixpk= 1189, nxpk= 0, iat=1066,1077, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 71 CYS HA 138 ASN HD22 4.66 (#peak 7132)
&rst
ixpk= 7132, nxpk= 0, iat=1068,2083, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 71 CYS HB2 138 ASN HD21 6.15 (#peak 2786)
&rst
ixpk= 2786, nxpk= 0, iat=1070,2082, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 71 CYS HB2 138 ASN HD22 6.15 (#peak 2784)
&rst
ixpk= 2784, nxpk= 0, iat=1070,2083, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 71 CYS HB3 138 ASN HD21 6.15 (#peak 2785)
&rst
ixpk= 2785, nxpk= 0, iat=1071,2082, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 71 CYS HB3 138 ASN HD22 6.15 (#peak 2783)
&rst
ixpk= 2783, nxpk= 0, iat=1071,2083, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 71 CYS HB3 72 GLY HN 5.53 (#peak 1194)
&rst
ixpk= 1194, nxpk= 0, iat=1071,1077, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 72 GLY HN 186 atp H10 6.15 (#peak 2896)
&rst
ixpk= 2896, nxpk= 0, iat=1077,2842, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 72 GLY HN 73 ILE HN 6.15 (#peak 1191)
&rst
ixpk= 1191, nxpk= 0, iat=1077,1084, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 72 GLY HA3 138 ASN HN 4.41 (#peak 7083)
&rst
ixpk= 7083, nxpk= 0, iat=1080,2073, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &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 HN 186 atp H2 4.89 (#peak 9236)
&rst
ixpk= 9236, nxpk= 0, iat=1084,2854, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 73 ILE HA 73 ILE QD1 4.16 (#peak 1172)
&rst
ixpk= 1172, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1097,1098,1099,
&end
#
# 73 ILE HA 73 ILE QG1 4.20 (#peak 2091)
&rst
ixpk= 2091, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1094,1095,
&end
#
# 73 ILE HA 73 ILE QG2 3.93 (#peak 4834)
&rst
ixpk= 4834, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1090,1091,1092,
&end
#
# 73 ILE HB 73 ILE QD1 3.34 (#peak 3760)
&rst
ixpk= 3760, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1097,1098,1099,
&end
#
# 73 ILE HB 73 ILE QG1 3.02 (#peak 1430)
&rst
ixpk= 1430, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2=1094,1095,
&end
#
# 73 ILE HB 74 SER HN 6.01 (#peak 2599)
&rst
ixpk= 2599, nxpk= 0, iat=1088,1103, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 73 ILE QD1 74 SER HN 5.53 (#peak 2446)
&rst
ixpk= 2446, nxpk= 0, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1=1097,1098,1099,
&end
#
# 73 ILE QD1 74 SER HA 4.73 (#peak 7100)
&rst
ixpk= 7100, nxpk= 0, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1097,1098,1099,
&end
#
# 73 ILE QG1 74 SER HN 5.13 (#peak 2445)
&rst
ixpk= 2445, nxpk= 0, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1094,1095,
&end
#
# 73 ILE QG2 73 ILE QD1 3.27 (#peak 3769)
&rst
ixpk= 3769, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1090,1091,1092,
igr2=1097,1098,1099,
&end
#
# 73 ILE QG2 73 ILE QG1 2.40 (#peak 4837)
&rst
ixpk= 4837, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1090,1091,1092,
igr2=1094,1095,
&end
#
# 73 ILE QG2 74 SER HN 4.61 (#peak 2449)
&rst
ixpk= 2449, nxpk= 0, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1090,1091,1092,
&end
#
# 74 SER HA 135 LEU HA 4.39 (#peak 5945)
&rst
ixpk= 5945, nxpk= 0, iat=1105,2030, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 74 SER HA 135 LEU HG 5.61 (#peak 5941)
&rst
ixpk= 5941, nxpk= 0, iat=1105,2035, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 74 SER HA 135 LEU QD1 4.78 (#peak 5944)
&rst
ixpk= 5944, nxpk= 0, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=2037,2038,2039,
&end
#
# 74 SER HA 135 LEU QD2 4.96 (#peak 6909)
&rst
ixpk= 6909, nxpk= 0, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=2041,2042,2043,
&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 HA 75 CYS HN 3.47 (#peak 1281)
&rst
ixpk= 1281, nxpk= 0, iat=1105,1114, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 74 SER HB2 135 LEU HB2 4.30 (#peak 2399)
&rst
ixpk= 2399, nxpk= 0, iat=1107,2032, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 74 SER HB2 135 LEU HB3 4.01 (#peak 2406)
&rst
ixpk= 2406, nxpk= 0, iat=1107,2033, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 74 SER HB2 135 LEU HG 5.35 (#peak 2398)
&rst
ixpk= 2398, nxpk= 0, iat=1107,2035, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 74 SER HB2 135 LEU QD1 4.17 (#peak 2403)
&rst
ixpk= 2403, nxpk= 0, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=2037,2038,2039,
&end
#
# 74 SER HB2 135 LEU QD2 4.23 (#peak 2563)
&rst
ixpk= 2563, nxpk= 0, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2041,2042,2043,
&end
#
# 74 SER HB2 141 TRP HH2 3.69 (#peak 7103)
&rst
ixpk= 7103, nxpk= 0, iat=1107,2141, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 74 SER HB2 75 CYS HN 4.08 (#peak 1272)
&rst
ixpk= 1272, nxpk= 0, iat=1107,1114, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 74 SER HB3 135 LEU QD1 4.78 (#peak 6338)
&rst
ixpk= 6338, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=2037,2038,2039,
&end
#
# 74 SER HB3 135 LEU QD2 4.92 (#peak 5286)
&rst
ixpk= 5286, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=2041,2042,2043,
&end
#
# 74 SER HB3 141 TRP HH2 3.37 (#peak 7101)
&rst
ixpk= 7101, nxpk= 0, iat=1108,2141, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 74 SER HB3 141 TRP HZ2 4.15 (#peak 7102)
&rst
ixpk= 7102, nxpk= 0, iat=1108,2139, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 74 SER HB3 75 CYS HN 5.02 (#peak 1267)
&rst
ixpk= 1267, nxpk= 0, iat=1108,1114, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 75 CYS HN 133 LYS HG2 5.11 (#peak 1283)
&rst
ixpk= 1283, nxpk= 0, iat=1114,1997, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 75 CYS HN 133 LYS HG3 5.55 (#peak 1278)
&rst
ixpk= 1278, nxpk= 0, iat=1114,1998, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 75 CYS HN 134 VAL HN 4.04 (#peak 2036)
&rst
ixpk= 2036, nxpk= 0, iat=1114,2012, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 75 CYS HN 134 VAL HB 5.80 (#peak 1270)
&rst
ixpk= 1270, nxpk= 0, iat=1114,2016, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 75 CYS HN 134 VAL O 2.4
&rst
ixpk= 1270, nxpk= 0, iat=1114,2026, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 75 CYS HN 134 VAL QG2 5.44 (#peak 1274)
&rst
ixpk= 1274, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=2022,2023,2024,
&end
#
# 75 CYS HN 135 LEU HA 4.76 (#peak 1269)
&rst
ixpk= 1269, nxpk= 0, iat=1114,2030, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 75 CYS HN 135 LEU HB3 5.39 (#peak 1280)
&rst
ixpk= 1280, nxpk= 0, iat=1114,2033, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 75 CYS HN 76 LYS HN 4.73 (#peak 912)
&rst
ixpk= 912, nxpk= 0, iat=1114,1125, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 75 CYS HA 76 LYS HG2 4.06 (#peak 6735)
&rst
ixpk= 6735, nxpk= 0, iat=1116,1132, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 75 CYS HB2 76 LYS HN 4.22 (#peak 905)
&rst
ixpk= 905, nxpk= 0, iat=1118,1125, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 75 CYS HB3 76 LYS HN 4.12 (#peak 913)
&rst
ixpk= 913, nxpk= 0, iat=1119,1125, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 75 CYS N 134 VAL O 3.3
&rst
ixpk= 913, nxpk= 0, iat=1113,2026, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 76 LYS HN 76 LYS HD2 5.79 (#peak 910)
&rst
ixpk= 910, nxpk= 0, iat=1125,1135, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 76 LYS HN 76 LYS HD3 4.59 (#peak 903)
&rst
ixpk= 903, nxpk= 0, iat=1125,1136, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 76 LYS HN 76 LYS HE2 6.15 (#peak 918)
&rst
ixpk= 918, nxpk= 0, iat=1125,1138, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 76 LYS HN 76 LYS HE3 6.15 (#peak 919)
&rst
ixpk= 919, nxpk= 0, iat=1125,1139, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 76 LYS HN 76 LYS HG2 4.56 (#peak 917)
&rst
ixpk= 917, nxpk= 0, iat=1125,1132, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 76 LYS HN 76 LYS HG3 5.13 (#peak 904)
&rst
ixpk= 904, nxpk= 0, iat=1125,1133, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 76 LYS HA 133 LYS HN 6.15 (#peak 401)
&rst
ixpk= 401, nxpk= 0, iat=1127,1990, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 76 LYS HA 133 LYS HA 4.93 (#peak 5541)
&rst
ixpk= 5541, nxpk= 0, iat=1127,1992, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 76 LYS HA 133 LYS HB2 5.70 (#peak 5523)
&rst
ixpk= 5523, nxpk= 0, iat=1127,1994, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 76 LYS HA 133 LYS HB3 6.15 (#peak 5528)
&rst
ixpk= 5528, nxpk= 0, iat=1127,1995, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 76 LYS HA 133 LYS HG3 5.30 (#peak 5530)
&rst
ixpk= 5530, nxpk= 0, iat=1127,1998, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 76 LYS HA 134 VAL HN 4.66 (#peak 2028)
&rst
ixpk= 2028, nxpk= 0, iat=1127,2012, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 76 LYS HA 76 LYS HD2 5.90 (#peak 1815)
&rst
ixpk= 1815, nxpk= 0, iat=1127,1135, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 76 LYS HA 76 LYS HD3 4.56 (#peak 5537)
&rst
ixpk= 5537, nxpk= 0, iat=1127,1136, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 76 LYS HA 76 LYS HE2 5.59 (#peak 4143)
&rst
ixpk= 4143, nxpk= 0, iat=1127,1138, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 76 LYS HA 76 LYS HE3 4.92 (#peak 3832)
&rst
ixpk= 3832, nxpk= 0, iat=1127,1139, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 76 LYS HA 77 VAL HN 3.16 (#peak 1484)
&rst
ixpk= 1484, nxpk= 0, iat=1127,1147, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 76 LYS HA 77 VAL QQG 4.27 (#peak 5527)
&rst
ixpk= 5527, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1153,1154,1155,1157,1158,1159,
&end
#
# 76 LYS HB2 76 LYS HD2 4.07 (#peak 1804)
&rst
ixpk= 1804, nxpk= 0, iat=1129,1135, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 76 LYS HB2 76 LYS HD3 4.10 (#peak 5321)
&rst
ixpk= 5321, nxpk= 0, iat=1129,1136, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 76 LYS HB2 76 LYS HE2 6.15 (#peak 1761)
&rst
ixpk= 1761, nxpk= 0, iat=1129,1138, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 76 LYS HB2 76 LYS HE3 6.15 (#peak 1760)
&rst
ixpk= 1760, nxpk= 0, iat=1129,1139, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 76 LYS HB2 78 THR HN 6.15 (#peak 2606)
&rst
ixpk= 2606, nxpk= 0, iat=1129,1163, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 76 LYS HB3 76 LYS HD2 3.05 (#peak 1809)
&rst
ixpk= 1809, nxpk= 0, iat=1130,1135, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 76 LYS HB3 76 LYS HD3 4.19 (#peak 5325)
&rst
ixpk= 5325, nxpk= 0, iat=1130,1136, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 76 LYS HB3 76 LYS HE2 4.02 (#peak 4137)
&rst
ixpk= 4137, nxpk= 0, iat=1130,1138, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 76 LYS HB3 76 LYS HE3 6.15 (#peak 3437)
&rst
ixpk= 3437, nxpk= 0, iat=1130,1139, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 76 LYS HB3 77 VAL HN 4.62 (#peak 1496)
&rst
ixpk= 1496, nxpk= 0, iat=1130,1147, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 76 LYS HD2 133 LYS HA 5.61 (#peak 1816)
&rst
ixpk= 1816, nxpk= 0, iat=1135,1992, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 76 LYS HD2 133 LYS HB2 3.77 (#peak 1802)
&rst
ixpk= 1802, nxpk= 0, iat=1135,1994, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 76 LYS HD2 133 LYS HG3 3.60 (#peak 1807)
&rst
ixpk= 1807, nxpk= 0, iat=1135,1998, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 76 LYS HD2 77 VAL HN 5.72 (#peak 1490)
&rst
ixpk= 1490, nxpk= 0, iat=1135,1147, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 76 LYS HD3 133 LYS HG3 3.63 (#peak 5323)
&rst
ixpk= 5323, nxpk= 0, iat=1136,1998, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 76 LYS HE3 133 LYS HN 5.95 (#peak 415)
&rst
ixpk= 415, nxpk= 0, iat=1139,1990, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 76 LYS HE3 133 LYS HB2 3.82 (#peak 1252)
&rst
ixpk= 1252, nxpk= 0, iat=1139,1994, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 76 LYS HE3 133 LYS HB3 4.31 (#peak 1928)
&rst
ixpk= 1928, nxpk= 0, iat=1139,1995, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 76 LYS HE3 133 LYS HG2 4.05 (#peak 4725)
&rst
ixpk= 4725, nxpk= 0, iat=1139,1997, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 76 LYS HE3 133 LYS HG3 2.90 (#peak 2854)
&rst
ixpk= 2854, nxpk= 0, iat=1139,1998, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 76 LYS HE3 133 LYS QD 2.42 (#peak 2067)
&rst
ixpk= 2067, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,
igr2=2000,2001,
&end
#
# 76 LYS HG2 76 LYS HE2 4.08 (#peak 5143)
&rst
ixpk= 5143, nxpk= 0, iat=1132,1138, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 76 LYS HG2 76 LYS HE3 4.04 (#peak 3829)
&rst
ixpk= 3829, nxpk= 0, iat=1132,1139, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 76 LYS HG3 76 LYS HE2 3.57 (#peak 4142)
&rst
ixpk= 4142, nxpk= 0, iat=1133,1138, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 76 LYS HG3 77 VAL HN 6.15 (#peak 1483)
&rst
ixpk= 1483, nxpk= 0, iat=1133,1147, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 77 VAL HN 132 TYR HB2 6.15 (#peak 1501)
&rst
ixpk= 1501, nxpk= 0, iat=1147,1973, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 77 VAL HN 132 TYR HB3 6.15 (#peak 1487)
&rst
ixpk= 1487, nxpk= 0, iat=1147,1974, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 77 VAL HN 132 TYR QD 6.15 (#peak 1486)
&rst
ixpk= 1486, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1977,1986,
&end
#
# 77 VAL HN 133 LYS HA 4.57 (#peak 1502)
&rst
ixpk= 1502, nxpk= 0, iat=1147,1992, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 77 VAL HN 134 VAL QG2 5.51 (#peak 2603)
&rst
ixpk= 2603, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=2022,2023,2024,
&end
#
# 77 VAL HN 77 VAL QQG 3.53 (#peak 1492)
&rst
ixpk= 1492, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1153,1154,1155,1157,1158,1159,
&end
#
# 77 VAL HN 78 THR HN 4.49 (#peak 1491)
&rst
ixpk= 1491, nxpk= 0, iat=1147,1163, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 77 VAL HN 78 THR HB 6.15 (#peak 2604)
&rst
ixpk= 2604, nxpk= 0, iat=1147,1167, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 77 VAL HA 77 VAL QQG 3.04 (#peak 4354)
&rst
ixpk= 4354, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1153,1154,1155,1157,1158,1159,
&end
#
# 77 VAL HA 78 THR HN 3.40 (#peak 1234)
&rst
ixpk= 1234, nxpk= 0, iat=1149,1163, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 77 VAL HB 78 THR HN 4.32 (#peak 1230)
&rst
ixpk= 1230, nxpk= 0, iat=1151,1163, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 77 VAL QQG 132 TYR HN 4.05 (#peak 839)
&rst
ixpk= 839, nxpk= 0, iat= -1,1969, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1153,1154,1155,1157,1158,1159,
&end
#
# 77 VAL QQG 132 TYR HB2 3.12 (#peak 4323)
&rst
ixpk= 4323, nxpk= 0, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1153,1154,1155,1157,1158,1159,
&end
#
# 77 VAL QQG 132 TYR HB3 3.60 (#peak 6958)
&rst
ixpk= 6958, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1153,1154,1155,1157,1158,1159,
&end
#
# 77 VAL QQG 132 TYR QD 4.90 (#peak 1871)
&rst
ixpk= 1871, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1153,1154,1155,1157,1158,1159,
igr2=1977,1986,
&end
#
# 77 VAL QQG 133 LYS HA 4.31 (#peak 6984)
&rst
ixpk= 6984, nxpk= 0, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1153,1154,1155,1157,1158,1159,
&end
#
# 77 VAL QQG 78 THR HA 4.68 (#peak 1875)
&rst
ixpk= 1875, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1153,1154,1155,1157,1158,1159,
&end
#
# 78 THR HN 78 THR QG2 3.97 (#peak 1233)
&rst
ixpk= 1233, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1169,1170,1171,
&end
#
# 78 THR HN 79 ASN HA 6.15 (#peak 2611)
&rst
ixpk= 2611, nxpk= 0, iat=1163,1179, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 78 THR HN 79 ASN HB2 6.15 (#peak 2607)
&rst
ixpk= 2607, nxpk= 0, iat=1163,1181, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 78 THR HN 79 ASN HB3 6.15 (#peak 2609)
&rst
ixpk= 2609, nxpk= 0, iat=1163,1182, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &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 131 GLN HG3 4.65 (#peak 6740)
&rst
ixpk= 6740, nxpk= 0, iat=1165,1960, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 78 THR HA 132 TYR HB2 4.81 (#peak 6739)
&rst
ixpk= 6739, nxpk= 0, iat=1165,1973, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &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 3.28 (#peak 4218)
&rst
ixpk= 4218, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1169,1170,1171,
&end
#
# 78 THR HA 79 ASN HA 4.88 (#peak 2058)
&rst
ixpk= 2058, nxpk= 0, iat=1165,1179, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 78 THR HA 80 ILE HN 6.15 (#peak 2541)
&rst
ixpk= 2541, nxpk= 0, iat=1165,1191, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 78 THR HA 80 ILE QG2 5.03 (#peak 6654)
&rst
ixpk= 6654, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1197,1198,1199,
&end
#
# 78 THR HB 131 GLN HB2 4.80 (#peak 6960)
&rst
ixpk= 6960, nxpk= 0, iat=1167,1956, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 78 THR HB 131 GLN HB3 4.93 (#peak 6741)
&rst
ixpk= 6741, nxpk= 0, iat=1167,1957, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 78 THR HB 131 GLN HE22 6.15 (#peak 2700)
&rst
ixpk= 2700, nxpk= 0, iat=1167,1965, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 78 THR HB 131 GLN HG2 4.32 (#peak 280)
&rst
ixpk= 280, nxpk= 0, iat=1167,1959, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 78 THR HB 131 GLN HG3 5.03 (#peak 6280)
&rst
ixpk= 6280, nxpk= 0, iat=1167,1960, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 78 THR HB 132 TYR HN 5.36 (#peak 2681)
&rst
ixpk= 2681, nxpk= 0, iat=1167,1969, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 78 THR HB 79 ASN HN 5.17 (#peak 432)
&rst
ixpk= 432, nxpk= 0, iat=1167,1177, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 78 THR QG2 131 GLN HE21 4.40 (#peak 861)
&rst
ixpk= 861, nxpk= 0, iat= -1,1964, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1169,1170,1171,
&end
#
# 78 THR QG2 131 GLN HE22 4.42 (#peak 2022)
&rst
ixpk= 2022, nxpk= 0, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1169,1170,1171,
&end
#
# 78 THR QG2 131 GLN HG2 4.35 (#peak 278)
&rst
ixpk= 278, nxpk= 0, iat= -1,1959, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1169,1170,1171,
&end
#
# 78 THR QG2 131 GLN HG3 4.22 (#peak 6959)
&rst
ixpk= 6959, nxpk= 0, iat= -1,1960, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1169,1170,1171,
&end
#
# 78 THR QG2 79 ASN HN 4.64 (#peak 438)
&rst
ixpk= 438, nxpk= 0, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1169,1170,1171,
&end
#
# 78 THR QG2 79 ASN HB2 4.19 (#peak 6929)
&rst
ixpk= 6929, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1169,1170,1171,
&end
#
# 78 THR QG2 79 ASN HB3 5.23 (#peak 6317)
&rst
ixpk= 6317, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1169,1170,1171,
&end
#
# 78 THR QG2 79 ASN HD21 5.41 (#peak 4214)
&rst
ixpk= 4214, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1169,1170,1171,
&end
#
# 79 ASN HN 79 ASN HD22 6.15 (#peak 436)
&rst
ixpk= 436, nxpk= 0, iat=1177,1187, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 79 ASN HN 80 ILE HN 5.10 (#peak 2535)
&rst
ixpk= 2535, nxpk= 0, iat=1177,1191, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 79 ASN HN 80 ILE QD1 6.12 (#peak 2677)
&rst
ixpk= 2677, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr2=1204,1205,1206,
&end
#
# 79 ASN HA 79 ASN HD21 4.16 (#peak 2494)
&rst
ixpk= 2494, nxpk= 0, iat=1179,1186, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 79 ASN HA 79 ASN HD22 5.05 (#peak 4431)
&rst
ixpk= 4431, nxpk= 0, iat=1179,1187, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 79 ASN HA 82 GLY HN 5.70 (#peak 1845)
&rst
ixpk= 1845, nxpk= 0, iat=1179,1225, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 79 ASN HA 83 LEU HN 6.15 (#peak 1384)
&rst
ixpk= 1384, 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 2489)
&rst
ixpk= 2489, nxpk= 0, iat=1181,1186, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 79 ASN HB2 80 ILE HN 6.03 (#peak 2534)
&rst
ixpk= 2534, nxpk= 0, iat=1181,1191, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 79 ASN HB3 79 ASN HD21 3.82 (#peak 395)
&rst
ixpk= 395, nxpk= 0, iat=1182,1186, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 79 ASN HB3 80 ILE HN 5.98 (#peak 2537)
&rst
ixpk= 2537, nxpk= 0, iat=1182,1191, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 80 ILE HN 80 ILE HB 3.95 (#peak 2543)
&rst
ixpk= 2543, nxpk= 0, iat=1191,1195, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 80 ILE HN 80 ILE HG12 5.35 (#peak 2542)
&rst
ixpk= 2542, nxpk= 0, iat=1191,1201, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 80 ILE HN 80 ILE HG13 5.22 (#peak 2533)
&rst
ixpk= 2533, nxpk= 0, iat=1191,1202, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 80 ILE HN 80 ILE QD1 5.19 (#peak 2545)
&rst
ixpk= 2545, nxpk= 0, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1204,1205,1206,
&end
#
# 80 ILE HN 80 ILE QG2 3.76 (#peak 2538)
&rst
ixpk= 2538, nxpk= 0, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1197,1198,1199,
&end
#
# 80 ILE HN 81 GLU HN 3.54 (#peak 2540)
&rst
ixpk= 2540, nxpk= 0, iat=1191,1210, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 80 ILE HN 82 GLY HA3 6.15 (#peak 2536)
&rst
ixpk= 2536, nxpk= 0, iat=1191,1228, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 80 ILE HA 80 ILE HG12 3.96 (#peak 93)
&rst
ixpk= 93, nxpk= 0, iat=1193,1201, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 80 ILE HA 80 ILE QD1 4.42 (#peak 92)
&rst
ixpk= 92, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1204,1205,1206,
&end
#
# 80 ILE HA 80 ILE QG2 3.92 (#peak 1935)
&rst
ixpk= 1935, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1197,1198,1199,
&end
#
# 80 ILE HA 82 GLY HN 6.08 (#peak 1850)
&rst
ixpk= 1850, nxpk= 0, iat=1193,1225, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 80 ILE HB 80 ILE QD1 3.76 (#peak 2663)
&rst
ixpk= 2663, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1204,1205,1206,
&end
#
# 80 ILE HG13 81 GLU HN 5.74 (#peak 1439)
&rst
ixpk= 1439, nxpk= 0, iat=1202,1210, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 80 ILE QD1 130 GLN HE21 5.03 (#peak 3363)
&rst
ixpk= 3363, nxpk= 0, iat= -1,1947, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1204,1205,1206,
&end
#
# 80 ILE QD1 132 TYR HB2 5.00 (#peak 6928)
&rst
ixpk= 6928, nxpk= 0, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1204,1205,1206,
&end
#
# 80 ILE QD1 132 TYR HB3 5.17 (#peak 6866)
&rst
ixpk= 6866, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1204,1205,1206,
&end
#
# 80 ILE QD1 81 GLU HN 6.07 (#peak 1447)
&rst
ixpk= 1447, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1=1204,1205,1206,
&end
#
# 80 ILE QD1 82 GLY HN 6.15 (#peak 1847)
&rst
ixpk= 1847, nxpk= 0, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1204,1205,1206,
&end
#
# 80 ILE QG2 80 ILE HG12 3.18 (#peak 1943)
&rst
ixpk= 1943, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1197,1198,1199,
&end
#
# 80 ILE QG2 80 ILE HG13 3.53 (#peak 1937)
&rst
ixpk= 1937, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1197,1198,1199,
&end
#
# 80 ILE QG2 80 ILE QD1 2.40 (#peak 3359)
&rst
ixpk= 3359, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=1197,1198,1199,
igr2=1204,1205,1206,
&end
#
# 80 ILE QG2 81 GLU HN 5.77 (#peak 1442)
&rst
ixpk= 1442, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1197,1198,1199,
&end
#
# 81 GLU HN 82 GLY HN 3.99 (#peak 1446)
&rst
ixpk= 1446, nxpk= 0, iat=1210,1225, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 81 GLU HN 83 LEU HN 4.83 (#peak 1441)
&rst
ixpk= 1441, nxpk= 0, iat=1210,1232, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 81 GLU HA 81 GLU QB 2.95 (#peak 1506)
&rst
ixpk= 1506, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2=1214,1215,
&end
#
# 81 GLU QB 128 ASN HA 5.48 (#peak 7003)
&rst
ixpk= 7003, nxpk= 0, iat= -1,1913, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1214,1215,
&end
#
# 81 GLU QB 129 ALA HA 4.24 (#peak 3905)
&rst
ixpk= 3905, nxpk= 0, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1214,1215,
&end
#
# 81 GLU QB 82 GLY HN 4.14 (#peak 1849)
&rst
ixpk= 1849, nxpk= 0, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1214,1215,
&end
#
# 82 GLY HN 83 LEU HN 3.71 (#peak 1383)
&rst
ixpk= 1383, nxpk= 0, iat=1225,1232, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 82 GLY HN 83 LEU HB3 5.59 (#peak 1848)
&rst
ixpk= 1848, nxpk= 0, iat=1225,1237, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 82 GLY HN 83 LEU HG 4.63 (#peak 1839)
&rst
ixpk= 1839, nxpk= 0, iat=1225,1239, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 82 GLY HN 83 LEU QD1 5.67 (#peak 1846)
&rst
ixpk= 1846, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1241,1242,1243,
&end
#
# 82 GLY HN 84 LEU HN 4.84 (#peak 1838)
&rst
ixpk= 1838, nxpk= 0, iat=1225,1251, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 82 GLY HA2 84 LEU HN 4.54 (#peak 654)
&rst
ixpk= 654, nxpk= 0, iat=1227,1251, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 82 GLY HA3 84 LEU HN 4.60 (#peak 657)
&rst
ixpk= 657, nxpk= 0, iat=1228,1251, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 82 GLY HA3 85 HIS HN 6.15 (#peak 1178)
&rst
ixpk= 1178, nxpk= 0, iat=1228,1270, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 83 LEU HN 83 LEU HB2 3.78 (#peak 1378)
&rst
ixpk= 1378, nxpk= 0, iat=1232,1236, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 83 LEU HN 83 LEU HB3 3.70 (#peak 1386)
&rst
ixpk= 1386, nxpk= 0, iat=1232,1237, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 83 LEU HN 83 LEU HG 3.30 (#peak 1376)
&rst
ixpk= 1376, nxpk= 0, iat=1232,1239, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 83 LEU HN 83 LEU QD1 4.27 (#peak 1385)
&rst
ixpk= 1385, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1241,1242,1243,
&end
#
# 83 LEU HN 84 LEU HN 3.16 (#peak 1375)
&rst
ixpk= 1375, nxpk= 0, iat=1232,1251, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 83 LEU HN 84 LEU QD1 6.15 (#peak 1373)
&rst
ixpk= 1373, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1260,1261,1262,
&end
#
# 83 LEU HN 85 HIS HN 5.79 (#peak 1379)
&rst
ixpk= 1379, nxpk= 0, iat=1232,1270, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 83 LEU HA 83 LEU HG 3.91 (#peak 791)
&rst
ixpk= 791, nxpk= 0, iat=1234,1239, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 83 LEU HA 83 LEU QD1 3.71 (#peak 2129)
&rst
ixpk= 2129, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1241,1242,1243,
&end
#
# 83 LEU HB2 83 LEU QD1 3.43 (#peak 3289)
&rst
ixpk= 3289, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1241,1242,1243,
&end
#
# 83 LEU HB2 84 LEU HN 5.15 (#peak 658)
&rst
ixpk= 658, nxpk= 0, iat=1236,1251, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 83 LEU HB3 83 LEU QD1 3.50 (#peak 4236)
&rst
ixpk= 4236, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1241,1242,1243,
&end
#
# 83 LEU QD1 84 LEU HN 3.73 (#peak 664)
&rst
ixpk= 664, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1241,1242,1243,
&end
#
# 83 LEU QD1 85 HIS HN 4.76 (#peak 1185)
&rst
ixpk= 1185, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1241,1242,1243,
&end
#
# 84 LEU HN 84 LEU HB3 3.97 (#peak 662)
&rst
ixpk= 662, nxpk= 0, iat=1251,1256, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 84 LEU HN 84 LEU HG 4.73 (#peak 661)
&rst
ixpk= 661, nxpk= 0, iat=1251,1258, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 84 LEU HN 84 LEU QD1 5.08 (#peak 653)
&rst
ixpk= 653, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1260,1261,1262,
&end
#
# 84 LEU HN 85 HIS HN 3.45 (#peak 1177)
&rst
ixpk= 1177, nxpk= 0, iat=1251,1270, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 84 LEU HA 84 LEU HG 3.61 (#peak 2545)
&rst
ixpk= 2545, nxpk= 0, iat=1253,1258, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 84 LEU HA 84 LEU QD1 3.84 (#peak 6261)
&rst
ixpk= 6261, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1260,1261,1262,
&end
#
# 84 LEU HB2 84 LEU QD1 3.04 (#peak 6262)
&rst
ixpk= 6262, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1260,1261,1262,
&end
#
# 84 LEU HB2 85 HIS HN 4.87 (#peak 1174)
&rst
ixpk= 1174, nxpk= 0, iat=1255,1270, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 84 LEU HB3 84 LEU QD1 3.16 (#peak 2744)
&rst
ixpk= 2744, nxpk= 0, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1260,1261,1262,
&end
#
# 84 LEU HB3 85 HIS HN 4.68 (#peak 1184)
&rst
ixpk= 1184, nxpk= 0, iat=1256,1270, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 84 LEU HG 85 HIS HN 4.94 (#peak 1182)
&rst
ixpk= 1182, nxpk= 0, iat=1258,1270, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 84 LEU QD1 125 ASN HB2 4.98 (#peak 6254)
&rst
ixpk= 6254, nxpk= 0, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1260,1261,1262,
&end
#
# 84 LEU QD1 85 HIS HN 5.36 (#peak 1175)
&rst
ixpk= 1175, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1260,1261,1262,
&end
#
# 85 HIS HN 86 LYS HN 4.56 (#peak 1183)
&rst
ixpk= 1183, nxpk= 0, iat=1270,1287, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 85 HIS HA 86 LYS HB2 4.57 (#peak 1595)
&rst
ixpk= 1595, nxpk= 0, iat=1272,1291, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 85 HIS HA 86 LYS QG 5.30 (#peak 5776)
&rst
ixpk= 5776, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=1294,1295,
&end
#
# 86 LYS HN 86 LYS QD 5.19 (#peak 1660)
&rst
ixpk= 1660, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2=1297,1298,
&end
#
# 86 LYS HN 86 LYS QE 5.07 (#peak 1663)
&rst
ixpk= 1663, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1300,1301,
&end
#
# 86 LYS HN 86 LYS QG 4.96 (#peak 1657)
&rst
ixpk= 1657, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1294,1295,
&end
#
# 86 LYS HA 86 LYS QD 4.01 (#peak 576)
&rst
ixpk= 576, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1297,1298,
&end
#
# 86 LYS HA 86 LYS QE 4.00 (#peak 2585)
&rst
ixpk= 2585, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1300,1301,
&end
#
# 86 LYS HA 86 LYS QG 3.26 (#peak 5773)
&rst
ixpk= 5773, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1294,1295,
&end
#
# 86 LYS HB2 86 LYS QD 3.76 (#peak 581)
&rst
ixpk= 581, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1297,1298,
&end
#
# 86 LYS HB2 86 LYS QE 3.69 (#peak 2590)
&rst
ixpk= 2590, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1300,1301,
&end
#
# 86 LYS HB3 86 LYS QD 3.23 (#peak 578)
&rst
ixpk= 578, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1297,1298,
&end
#
# 86 LYS HB3 86 LYS QE 4.03 (#peak 2587)
&rst
ixpk= 2587, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1300,1301,
&end
#
# 86 LYS HB3 86 LYS QG 2.85 (#peak 5775)
&rst
ixpk= 5775, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2=1294,1295,
&end
#
# 86 LYS HB3 88 ASN HA 4.31 (#peak 1329)
&rst
ixpk= 1329, nxpk= 0, iat=1292,1325, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 86 LYS QD 86 LYS QE 2.62 (#peak 2586)
&rst
ixpk= 2586, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1=1297,1298,
igr2=1300,1301,
&end
#
# 86 LYS QG 86 LYS QD 2.40 (#peak 582)
&rst
ixpk= 582, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1=1294,1295,
igr2=1297,1298,
&end
#
# 86 LYS QG 86 LYS QE 2.73 (#peak 2591)
&rst
ixpk= 2591, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
igr1=1294,1295,
igr2=1300,1301,
&end
#
# 88 ASN HN 88 ASN HB2 3.92 (#peak 1631)
&rst
ixpk= 1631, nxpk= 0, iat=1323,1327, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 88 ASN HA 88 ASN HB2 3.00 (#peak 48)
&rst
ixpk= 48, nxpk= 0, iat=1325,1327, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 88 ASN HA 88 ASN HD21 4.88 (#peak 1150)
&rst
ixpk= 1150, nxpk= 0, iat=1325,1332, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 88 ASN HA 88 ASN HD22 5.09 (#peak 3501)
&rst
ixpk= 3501, nxpk= 0, iat=1325,1333, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 88 ASN HB2 88 ASN HD21 3.75 (#peak 45)
&rst
ixpk= 45, nxpk= 0, iat=1327,1332, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 88 ASN HB2 88 ASN HD22 3.87 (#peak 49)
&rst
ixpk= 49, nxpk= 0, iat=1327,1333, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 88 ASN HB3 88 ASN HD21 3.92 (#peak 3395)
&rst
ixpk= 3395, nxpk= 0, iat=1328,1332, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 88 ASN HB3 88 ASN HD22 4.08 (#peak 3399)
&rst
ixpk= 3399, nxpk= 0, iat=1328,1333, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 88 ASN HB3 89 TRP HN 4.51 (#peak 251)
&rst
ixpk= 251, nxpk= 0, iat=1328,1337, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 89 TRP HN 89 TRP HA 2.91 (#peak 254)
&rst
ixpk= 254, nxpk= 0, iat=1337,1339, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 89 TRP HN 89 TRP QB 4.00 (#peak 258)
&rst
ixpk= 258, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1341,1342,
&end
#
# 89 TRP HN 90 ASN HN 4.91 (#peak 246)
&rst
ixpk= 246, nxpk= 0, iat=1337,1361, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 89 TRP HN 90 ASN HD21 5.74 (#peak 255)
&rst
ixpk= 255, nxpk= 0, iat=1337,1370, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 89 TRP HN 91 ILE HB 4.56 (#peak 2835)
&rst
ixpk= 2835, nxpk= 0, iat=1337,1379, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 89 TRP HN 91 ILE HG12 5.70 (#peak 249)
&rst
ixpk= 249, nxpk= 0, iat=1337,1385, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 89 TRP HN 91 ILE HG13 5.71 (#peak 256)
&rst
ixpk= 256, nxpk= 0, iat=1337,1386, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 89 TRP HN 91 ILE QD1 4.96 (#peak 253)
&rst
ixpk= 253, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1388,1389,1390,
&end
#
# 89 TRP HA 89 TRP QB 2.40 (#peak 5037)
&rst
ixpk= 5037, nxpk= 0, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr2=1341,1342,
&end
#
# 89 TRP QB 90 ASN HN 4.74 (#peak 126)
&rst
ixpk= 126, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1341,1342,
&end
#
# 89 TRP QB 90 ASN HD21 3.56 (#peak 5038)
&rst
ixpk= 5038, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1341,1342,
&end
#
# 90 ASN HN 90 ASN HB2 3.87 (#peak 121)
&rst
ixpk= 121, nxpk= 0, iat=1361,1365, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 90 ASN HA 90 ASN HB3 2.98 (#peak 4332)
&rst
ixpk= 4332, nxpk= 0, iat=1363,1366, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 90 ASN HA 90 ASN HD21 4.51 (#peak 2055)
&rst
ixpk= 2055, nxpk= 0, iat=1363,1370, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 90 ASN HA 90 ASN HD22 4.97 (#peak 580)
&rst
ixpk= 580, nxpk= 0, iat=1363,1371, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 90 ASN HB2 90 ASN HD21 3.86 (#peak 1536)
&rst
ixpk= 1536, nxpk= 0, iat=1365,1370, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 90 ASN HB2 91 ILE HN 4.03 (#peak 1776)
&rst
ixpk= 1776, nxpk= 0, iat=1365,1375, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 90 ASN HB3 90 ASN HD21 3.78 (#peak 4334)
&rst
ixpk= 4334, nxpk= 0, iat=1366,1370, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 90 ASN HB3 91 ILE HN 4.74 (#peak 1778)
&rst
ixpk= 1778, nxpk= 0, iat=1366,1375, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 91 ILE HN 91 ILE HB 3.66 (#peak 1782)
&rst
ixpk= 1782, nxpk= 0, iat=1375,1379, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 91 ILE HN 91 ILE HG12 4.67 (#peak 1775)
&rst
ixpk= 1775, nxpk= 0, iat=1375,1385, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 91 ILE HN 91 ILE HG13 4.57 (#peak 1781)
&rst
ixpk= 1781, nxpk= 0, iat=1375,1386, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 91 ILE HN 91 ILE QD1 6.15 (#peak 1777)
&rst
ixpk= 1777, 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 4.16 (#peak 1773)
&rst
ixpk= 1773, nxpk= 0, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1381,1382,1383,
&end
#
# 91 ILE HN 92 GLU HN 5.06 (#peak 1772)
&rst
ixpk= 1772, nxpk= 0, iat=1375,1394, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 91 ILE HA 91 ILE HG12 3.91 (#peak 3005)
&rst
ixpk= 3005, nxpk= 0, iat=1377,1385, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 91 ILE HA 91 ILE HG13 2.99 (#peak 5354)
&rst
ixpk= 5354, nxpk= 0, iat=1377,1386, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 91 ILE HA 91 ILE QD1 4.07 (#peak 4662)
&rst
ixpk= 4662, nxpk= 0, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1388,1389,1390,
&end
#
# 91 ILE HA 91 ILE QG2 3.24 (#peak 1850)
&rst
ixpk= 1850, nxpk= 0, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1381,1382,1383,
&end
#
# 91 ILE HA 93 ASP HN 5.42 (#peak 2120)
&rst
ixpk= 2120, nxpk= 0, iat=1377,1409, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 91 ILE HB 91 ILE QD1 3.05 (#peak 6242)
&rst
ixpk= 6242, nxpk= 0, iat=1379, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1388,1389,1390,
&end
#
# 91 ILE HB 92 GLU HN 5.93 (#peak 527)
&rst
ixpk= 527, nxpk= 0, iat=1379,1394, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 91 ILE HB 94 ASN HB2 3.71 (#peak 6970)
&rst
ixpk= 6970, nxpk= 0, iat=1379,1425, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 91 ILE HB 94 ASN HB3 4.05 (#peak 6971)
&rst
ixpk= 6971, nxpk= 0, iat=1379,1426, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 91 ILE HG12 92 GLU HN 5.57 (#peak 518)
&rst
ixpk= 518, nxpk= 0, iat=1385,1394, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 91 ILE QD1 93 ASP HN 5.84 (#peak 2119)
&rst
ixpk= 2119, nxpk= 0, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1388,1389,1390,
&end
#
# 91 ILE QG2 91 ILE HG12 2.61 (#peak 1848)
&rst
ixpk= 1848, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr1=1381,1382,1383,
&end
#
# 91 ILE QG2 91 ILE QD1 3.17 (#peak 4658)
&rst
ixpk= 4658, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1381,1382,1383,
igr2=1388,1389,1390,
&end
#
# 91 ILE QG2 92 GLU HN 3.96 (#peak 517)
&rst
ixpk= 517, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1381,1382,1383,
&end
#
# 92 GLU HN 92 GLU HB2 4.02 (#peak 519)
&rst
ixpk= 519, nxpk= 0, iat=1394,1398, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 92 GLU HN 92 GLU HB3 4.14 (#peak 515)
&rst
ixpk= 515, nxpk= 0, iat=1394,1399, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 92 GLU HN 92 GLU HG2 4.60 (#peak 520)
&rst
ixpk= 520, nxpk= 0, iat=1394,1401, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 92 GLU HN 92 GLU HG3 4.73 (#peak 528)
&rst
ixpk= 528, nxpk= 0, iat=1394,1402, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 92 GLU HN 93 ASP HN 4.23 (#peak 2112)
&rst
ixpk= 2112, nxpk= 0, iat=1394,1409, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 92 GLU HA 92 GLU HG2 3.50 (#peak 2004)
&rst
ixpk= 2004, nxpk= 0, iat=1396,1401, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 GLU HA 92 GLU HG3 3.67 (#peak 2008)
&rst
ixpk= 2008, nxpk= 0, iat=1396,1402, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 92 GLU HB2 92 GLU HG2 2.96 (#peak 2296)
&rst
ixpk= 2296, nxpk= 0, iat=1398,1401, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 92 GLU HG3 93 ASP HN 5.30 (#peak 2123)
&rst
ixpk= 2123, nxpk= 0, iat=1402,1409, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 93 ASP HN 93 ASP HB2 4.10 (#peak 2115)
&rst
ixpk= 2115, nxpk= 0, iat=1409,1413, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 93 ASP HN 93 ASP HB3 4.02 (#peak 2122)
&rst
ixpk= 2122, nxpk= 0, iat=1409,1414, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 93 ASP HA 93 ASP HB3 2.89 (#peak 3900)
&rst
ixpk= 3900, nxpk= 0, iat=1411,1414, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 93 ASP HB3 94 ASN HN 4.15 (#peak 763)
&rst
ixpk= 763, nxpk= 0, iat=1414,1421, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 94 ASN HN 94 ASN HB2 3.78 (#peak 757)
&rst
ixpk= 757, nxpk= 0, iat=1421,1425, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 94 ASN HN 94 ASN HD21 5.38 (#peak 760)
&rst
ixpk= 760, nxpk= 0, iat=1421,1430, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 94 ASN HN 94 ASN HD22 5.79 (#peak 755)
&rst
ixpk= 755, nxpk= 0, iat=1421,1431, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 94 ASN HA 94 ASN HB2 2.81 (#peak 4011)
&rst
ixpk= 4011, nxpk= 0, iat=1423,1425, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 94 ASN HA 94 ASN HD21 4.41 (#peak 1882)
&rst
ixpk= 1882, nxpk= 0, iat=1423,1430, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 94 ASN HA 94 ASN HD22 4.09 (#peak 4017)
&rst
ixpk= 4017, nxpk= 0, iat=1423,1431, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 94 ASN HB2 94 ASN HD21 3.87 (#peak 1879)
&rst
ixpk= 1879, nxpk= 0, iat=1425,1430, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 94 ASN HB2 94 ASN HD22 3.86 (#peak 459)
&rst
ixpk= 459, nxpk= 0, iat=1425,1431, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 94 ASN HB3 94 ASN HD21 3.95 (#peak 3046)
&rst
ixpk= 3046, nxpk= 0, iat=1426,1430, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 95 ASN HN 95 ASN HA 2.83 (#peak 2359)
&rst
ixpk= 2359, nxpk= 0, iat=1435,1437, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 95 ASN HN 95 ASN HD22 6.15 (#peak 1136)
&rst
ixpk= 1136, nxpk= 0, iat=1435,1445, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 95 ASN HA 95 ASN HB2 2.95 (#peak 2309)
&rst
ixpk= 2309, nxpk= 0, iat=1437,1439, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 95 ASN HA 95 ASN HB3 2.78 (#peak 5051)
&rst
ixpk= 5051, nxpk= 0, iat=1437,1440, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 95 ASN HA 95 ASN HD22 4.59 (#peak 584)
&rst
ixpk= 584, nxpk= 0, iat=1437,1445, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 95 ASN HB2 95 ASN HD21 3.45 (#peak 2313)
&rst
ixpk= 2313, nxpk= 0, iat=1439,1444, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 95 ASN HB2 95 ASN HD22 3.98 (#peak 1135)
&rst
ixpk= 1135, nxpk= 0, iat=1439,1445, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 95 ASN HB3 95 ASN HD22 3.94 (#peak 1132)
&rst
ixpk= 1132, nxpk= 0, iat=1440,1445, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 97 LYS HN 97 LYS HB3 3.76 (#peak 2381)
&rst
ixpk= 2381, nxpk= 0, iat=1468,1473, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 97 LYS HN 97 LYS QD 5.45 (#peak 2378)
&rst
ixpk= 2378, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1478,1479,
&end
#
# 97 LYS HA 97 LYS HG2 4.17 (#peak 5008)
&rst
ixpk= 5008, nxpk= 0, iat=1470,1475, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 97 LYS HA 97 LYS HG3 4.24 (#peak 2261)
&rst
ixpk= 2261, nxpk= 0, iat=1470,1476, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 97 LYS HA 97 LYS QD 4.26 (#peak 1636)
&rst
ixpk= 1636, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1478,1479,
&end
#
# 97 LYS HA 99 ALA HN 4.78 (#peak 240)
&rst
ixpk= 240, nxpk= 0, iat=1470,1504, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 97 LYS HB2 97 LYS HG2 3.00 (#peak 332)
&rst
ixpk= 332, nxpk= 0, iat=1472,1475, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 97 LYS HB2 97 LYS QD 2.53 (#peak 324)
&rst
ixpk= 324, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,
igr2=1478,1479,
&end
#
# 97 LYS HB2 97 LYS QE 3.53 (#peak 4416)
&rst
ixpk= 4416, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1481,1482,
&end
#
# 97 LYS HB3 97 LYS HG2 3.01 (#peak 2950)
&rst
ixpk= 2950, nxpk= 0, iat=1473,1475, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 97 LYS HB3 97 LYS QD 2.44 (#peak 1637)
&rst
ixpk= 1637, nxpk= 0, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,
igr2=1478,1479,
&end
#
# 97 LYS HB3 97 LYS QE 3.59 (#peak 4420)
&rst
ixpk= 4420, nxpk= 0, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1481,1482,
&end
#
# 97 LYS HB3 99 ALA HN 4.92 (#peak 241)
&rst
ixpk= 241, nxpk= 0, iat=1473,1504, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 97 LYS HG2 97 LYS QD 2.46 (#peak 1640)
&rst
ixpk= 1640, nxpk= 0, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr2=1478,1479,
&end
#
# 97 LYS HG2 97 LYS QE 3.54 (#peak 5011)
&rst
ixpk= 5011, nxpk= 0, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1481,1482,
&end
#
# 97 LYS HG3 97 LYS QD 2.69 (#peak 1635)
&rst
ixpk= 1635, nxpk= 0, iat=1476, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr2=1478,1479,
&end
#
# 97 LYS HG3 97 LYS QE 3.28 (#peak 4418)
&rst
ixpk= 4418, nxpk= 0, iat=1476, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1481,1482,
&end
#
# 97 LYS QD 97 LYS QE 2.90 (#peak 4417)
&rst
ixpk= 4417, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1=1478,1479,
igr2=1481,1482,
&end
#
# 98 ASN HN 98 ASN HD22 4.48 (#peak 1709)
&rst
ixpk= 1709, nxpk= 0, iat=1490,1500, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 98 ASN HA 98 ASN HD22 4.84 (#peak 5716)
&rst
ixpk= 5716, nxpk= 0, iat=1492,1500, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 98 ASN HB2 98 ASN HD21 3.72 (#peak 2254)
&rst
ixpk= 2254, nxpk= 0, iat=1494,1499, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 98 ASN HB2 98 ASN HD22 4.02 (#peak 2250)
&rst
ixpk= 2250, nxpk= 0, iat=1494,1500, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 98 ASN HB2 99 ALA HN 4.52 (#peak 239)
&rst
ixpk= 239, nxpk= 0, iat=1494,1504, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 98 ASN HB3 98 ASN HD21 3.91 (#peak 2416)
&rst
ixpk= 2416, nxpk= 0, iat=1495,1499, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 99 ALA HN 99 ALA QB 3.39 (#peak 242)
&rst
ixpk= 242, nxpk= 0, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1508,1509,1510,
&end
#
# 99 ALA HA 100 SER QB 4.16 (#peak 1517)
&rst
ixpk= 1517, nxpk= 0, iat=1506, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1518,1519,
&end
#
# 99 ALA QB 100 SER HN 4.32 (#peak 1832)
&rst
ixpk= 1832, nxpk= 0, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1508,1509,1510,
&end
#
# 100 SER HN 101 LEU QD2 6.15 (#peak 1831)
&rst
ixpk= 1831, nxpk= 0, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1538,1539,1540,
&end
#
# 100 SER HA 100 SER QB 2.52 (#peak 5181)
&rst
ixpk= 5181, nxpk= 0, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,
igr2=1518,1519,
&end
#
# 100 SER HA 101 LEU QD2 4.68 (#peak 5176)
&rst
ixpk= 5176, nxpk= 0, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1538,1539,1540,
&end
#
# 100 SER QB 101 LEU HN 4.40 (#peak 1812)
&rst
ixpk= 1812, nxpk= 0, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1518,1519,
&end
#
# 100 SER QB 101 LEU QD2 4.64 (#peak 4670)
&rst
ixpk= 4670, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=1518,1519,
igr2=1538,1539,1540,
&end
#
# 101 LEU HN 101 LEU HB2 4.15 (#peak 1806)
&rst
ixpk= 1806, nxpk= 0, iat=1525,1529, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 101 LEU HN 101 LEU HB3 3.96 (#peak 1811)
&rst
ixpk= 1811, nxpk= 0, iat=1525,1530, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 101 LEU HN 101 LEU HG 4.64 (#peak 1804)
&rst
ixpk= 1804, nxpk= 0, iat=1525,1532, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 101 LEU HN 101 LEU QD1 5.76 (#peak 1809)
&rst
ixpk= 1809, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2=1534,1535,1536,
&end
#
# 101 LEU HN 101 LEU QD2 5.80 (#peak 1807)
&rst
ixpk= 1807, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1538,1539,1540,
&end
#
# 101 LEU HA 101 LEU QD1 4.14 (#peak 2199)
&rst
ixpk= 2199, nxpk= 0, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1534,1535,1536,
&end
#
# 101 LEU HA 101 LEU QD2 3.76 (#peak 1669)
&rst
ixpk= 1669, nxpk= 0, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1538,1539,1540,
&end
#
# 101 LEU HB2 101 LEU HG 2.69 (#peak 847)
&rst
ixpk= 847, nxpk= 0, iat=1529,1532, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 101 LEU HB2 101 LEU QD1 3.47 (#peak 2197)
&rst
ixpk= 2197, nxpk= 0, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1534,1535,1536,
&end
#
# 101 LEU HB2 101 LEU QD2 3.75 (#peak 841)
&rst
ixpk= 841, nxpk= 0, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1538,1539,1540,
&end
#
# 101 LEU HB3 101 LEU QD1 3.08 (#peak 3349)
&rst
ixpk= 3349, nxpk= 0, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1534,1535,1536,
&end
#
# 101 LEU HB3 101 LEU QD2 3.27 (#peak 3347)
&rst
ixpk= 3347, nxpk= 0, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1538,1539,1540,
&end
#
# 101 LEU HB3 102 VAL HN 5.61 (#peak 499)
&rst
ixpk= 499, nxpk= 0, iat=1530,1544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 102 VAL HN 102 VAL QQG 4.00 (#peak 495)
&rst
ixpk= 495, nxpk= 0, iat=1544, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 102 VAL HN 103 GLN HN 4.59 (#peak 817)
&rst
ixpk= 817, nxpk= 0, iat=1544,1560, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 102 VAL HA 102 VAL QQG 2.40 (#peak 5977)
&rst
ixpk= 5977, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 102 VAL QQG 103 GLN HN 4.25 (#peak 823)
&rst
ixpk= 823, nxpk= 0, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1550,1551,1552,1554,1555,1556,
&end
#
# 103 GLN HN 103 GLN HB2 4.04 (#peak 825)
&rst
ixpk= 825, nxpk= 0, iat=1560,1564, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 103 GLN HN 103 GLN QG 4.16 (#peak 819)
&rst
ixpk= 819, nxpk= 0, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1567,1568,
&end
#
# 103 GLN HA 103 GLN HE21 5.89 (#peak 2213)
&rst
ixpk= 2213, nxpk= 0, iat=1562,1572, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 103 GLN HA 103 GLN QG 3.40 (#peak 336)
&rst
ixpk= 336, nxpk= 0, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1567,1568,
&end
#
# 103 GLN HA 104 ILE HN 2.93 (#peak 533)
&rst
ixpk= 533, nxpk= 0, iat=1562,1577, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 103 GLN HB2 103 GLN HE21 4.77 (#peak 2217)
&rst
ixpk= 2217, nxpk= 0, iat=1564,1572, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 103 GLN HB2 103 GLN HE22 4.50 (#peak 1902)
&rst
ixpk= 1902, nxpk= 0, iat=1564,1573, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 GLN HB2 103 GLN QG 2.81 (#peak 338)
&rst
ixpk= 338, nxpk= 0, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2=1567,1568,
&end
#
# 103 GLN HB2 104 ILE HN 4.52 (#peak 539)
&rst
ixpk= 539, nxpk= 0, iat=1564,1577, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 103 GLN HB3 103 GLN HE21 4.65 (#peak 1181)
&rst
ixpk= 1181, nxpk= 0, iat=1565,1572, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 103 GLN HB3 103 GLN HE22 5.20 (#peak 1900)
&rst
ixpk= 1900, nxpk= 0, iat=1565,1573, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 103 GLN HB3 103 GLN QG 2.40 (#peak 335)
&rst
ixpk= 335, nxpk= 0, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr2=1567,1568,
&end
#
# 103 GLN HB3 104 ILE HN 4.35 (#peak 535)
&rst
ixpk= 535, nxpk= 0, iat=1565,1577, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 103 GLN QG 104 ILE HN 4.78 (#peak 532)
&rst
ixpk= 532, nxpk= 0, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1567,1568,
&end
#
# 104 ILE HN 104 ILE HG12 5.15 (#peak 538)
&rst
ixpk= 538, nxpk= 0, iat=1577,1587, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 104 ILE HN 104 ILE HG13 4.84 (#peak 531)
&rst
ixpk= 531, nxpk= 0, iat=1577,1588, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 104 ILE HN 104 ILE QD1 5.51 (#peak 529)
&rst
ixpk= 529, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1590,1591,1592,
&end
#
# 104 ILE HN 104 ILE QG2 5.53 (#peak 534)
&rst
ixpk= 534, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2=1583,1584,1585,
&end
#
# 104 ILE HA 104 ILE HG12 3.90 (#peak 3783)
&rst
ixpk= 3783, nxpk= 0, iat=1579,1587, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 104 ILE HA 104 ILE QD1 3.62 (#peak 5734)
&rst
ixpk= 5734, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1590,1591,1592,
&end
#
# 104 ILE HA 104 ILE QG2 3.55 (#peak 1186)
&rst
ixpk= 1186, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1583,1584,1585,
&end
#
# 104 ILE HB 104 ILE HG12 2.86 (#peak 3785)
&rst
ixpk= 3785, nxpk= 0, iat=1581,1587, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 104 ILE HB 104 ILE QD1 3.19 (#peak 4687)
&rst
ixpk= 4687, nxpk= 0, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1590,1591,1592,
&end
#
# 104 ILE HB 105 ASP HN 5.38 (#peak 1069)
&rst
ixpk= 1069, nxpk= 0, iat=1581,1596, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 104 ILE QD1 105 ASP HN 5.29 (#peak 1062)
&rst
ixpk= 1062, nxpk= 0, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1590,1591,1592,
&end
#
# 104 ILE QG2 104 ILE HG12 3.18 (#peak 1187)
&rst
ixpk= 1187, nxpk= 0, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1583,1584,1585,
&end
#
# 104 ILE QG2 104 ILE HG13 2.75 (#peak 342)
&rst
ixpk= 342, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1=1583,1584,1585,
&end
#
# 104 ILE QG2 104 ILE QD1 3.21 (#peak 5732)
&rst
ixpk= 5732, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1=1583,1584,1585,
igr2=1590,1591,1592,
&end
#
# 105 ASP HA 107 SER HN 4.15 (#peak 1649)
&rst
ixpk= 1649, nxpk= 0, iat=1598,1618, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 105 ASP HB2 106 ALA HN 4.62 (#peak 2045)
&rst
ixpk= 2045, nxpk= 0, iat=1600,1608, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 105 ASP HB3 106 ALA HN 6.14 (#peak 2046)
&rst
ixpk= 2046, nxpk= 0, iat=1601,1608, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 106 ALA HN 106 ALA QB 3.46 (#peak 2047)
&rst
ixpk= 2047, nxpk= 0, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1612,1613,1614,
&end
#
# 106 ALA QB 107 SER HN 4.47 (#peak 1646)
&rst
ixpk= 1646, nxpk= 0, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1612,1613,1614,
&end
#
# 107 SER HN 107 SER HB3 3.37 (#peak 1644)
&rst
ixpk= 1644, nxpk= 0, iat=1618,1623, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 107 SER HA 107 SER HB3 3.00 (#peak 5971)
&rst
ixpk= 5971, nxpk= 0, iat=1620,1623, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 108 ASN HA 108 ASN HB2 2.51 (#peak 351)
&rst
ixpk= 351, nxpk= 0, iat=1631,1633, r1= 1.30, r2= 1.80, r3= 2.51, r4= 3.01, &end
#
# 108 ASN HA 108 ASN HD21 5.22 (#peak 3572)
&rst
ixpk= 3572, nxpk= 0, iat=1631,1638, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 108 ASN HB2 109 GLU HN 5.06 (#peak 2370)
&rst
ixpk= 2370, nxpk= 0, iat=1633,1643, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 108 ASN HB3 108 ASN HD21 3.63 (#peak 397)
&rst
ixpk= 397, nxpk= 0, iat=1634,1638, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 108 ASN HB3 109 GLU HN 4.70 (#peak 2373)
&rst
ixpk= 2373, nxpk= 0, iat=1634,1643, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 109 GLU HN 109 GLU HG2 5.15 (#peak 2372)
&rst
ixpk= 2372, nxpk= 0, iat=1643,1650, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 109 GLU HN 109 GLU HG3 4.79 (#peak 2376)
&rst
ixpk= 2376, nxpk= 0, iat=1643,1651, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 109 GLU HA 109 GLU HB3 3.01 (#peak 5368)
&rst
ixpk= 5368, nxpk= 0, iat=1645,1648, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 109 GLU HA 109 GLU HG2 3.04 (#peak 168)
&rst
ixpk= 168, nxpk= 0, iat=1645,1650, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 109 GLU HA 109 GLU HG3 3.48 (#peak 170)
&rst
ixpk= 170, nxpk= 0, iat=1645,1651, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 109 GLU HB2 109 GLU HG3 2.95 (#peak 2596)
&rst
ixpk= 2596, nxpk= 0, iat=1647,1651, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 110 GLN HN 110 GLN QG 5.86 (#peak 811)
&rst
ixpk= 811, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=1665,1666,
&end
#
# 110 GLN HA 110 GLN QG 3.29 (#peak 1665)
&rst
ixpk= 1665, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1665,1666,
&end
#
# 110 GLN HB2 110 GLN QG 2.54 (#peak 1666)
&rst
ixpk= 1666, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,
igr2=1665,1666,
&end
#
# 110 GLN HB2 111 SER HB2 3.82 (#peak 4182)
&rst
ixpk= 4182, nxpk= 0, iat=1662,1679, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 110 GLN HB3 110 GLN QG 2.40 (#peak 1667)
&rst
ixpk= 1667, nxpk= 0, iat=1663, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr2=1665,1666,
&end
#
# 111 SER HB3 112 SER HN 5.66 (#peak 645)
&rst
ixpk= 645, nxpk= 0, iat=1680,1686, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 112 SER HA 112 SER HB2 2.43 (#peak 1511)
&rst
ixpk= 1511, nxpk= 0, iat=1688,1690, r1= 1.30, r2= 1.80, r3= 2.43, r4= 2.93, &end
#
# 112 SER HA 112 SER HB3 2.52 (#peak 1508)
&rst
ixpk= 1508, nxpk= 0, iat=1688,1691, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, &end
#
# 113 THR HN 113 THR QG2 5.18 (#peak 1892)
&rst
ixpk= 1892, nxpk= 0, iat=1697, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1703,1704,1705,
&end
#
# 113 THR HA 113 THR HB 2.40 (#peak 2220)
&rst
ixpk= 2220, nxpk= 0, iat=1699,1701, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 116 SER HN 116 SER QB 3.94 (#peak 2061)
&rst
ixpk= 2061, nxpk= 0, iat=1733, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1737,1738,
&end
#
# 116 SER HN 117 MET HN 3.20 (#peak 1458)
&rst
ixpk= 1458, nxpk= 0, iat=1733,1744, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 116 SER HA 116 SER QB 2.50 (#peak 2072)
&rst
ixpk= 2072, nxpk= 0, iat=1735, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2=1737,1738,
&end
#
# 116 SER HA 119 ILE HG13 4.71 (#peak 6100)
&rst
ixpk= 6100, nxpk= 0, iat=1735,1791, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 116 SER QB 117 MET HN 3.90 (#peak 1453)
&rst
ixpk= 1453, nxpk= 0, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1737,1738,
&end
#
# 117 MET HN 117 MET HG2 3.63 (#peak 1451)
&rst
ixpk= 1451, nxpk= 0, iat=1744,1751, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 117 MET HN 117 MET HG3 4.05 (#peak 1457)
&rst
ixpk= 1457, nxpk= 0, iat=1744,1752, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 117 MET HA 117 MET HB3 2.85 (#peak 869)
&rst
ixpk= 869, nxpk= 0, iat=1746,1749, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 117 MET HA 117 MET HG2 3.78 (#peak 864)
&rst
ixpk= 864, nxpk= 0, iat=1746,1751, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 117 MET HA 117 MET HG3 3.86 (#peak 4527)
&rst
ixpk= 4527, nxpk= 0, iat=1746,1752, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 117 MET HB3 118 ILE HN 4.56 (#peak 2396)
&rst
ixpk= 2396, nxpk= 0, iat=1749,1761, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 117 MET HB3 119 ILE HN 6.15 (#peak 1691)
&rst
ixpk= 1691, nxpk= 0, iat=1749,1780, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 117 MET HG2 119 ILE HN 5.68 (#peak 1679)
&rst
ixpk= 1679, nxpk= 0, iat=1751,1780, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 117 MET HG3 118 ILE HN 5.00 (#peak 2393)
&rst
ixpk= 2393, nxpk= 0, iat=1752,1761, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 ILE HN 118 ILE HB 3.96 (#peak 2388)
&rst
ixpk= 2388, nxpk= 0, iat=1761,1765, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 118 ILE HN 118 ILE HG12 3.56 (#peak 2386)
&rst
ixpk= 2386, nxpk= 0, iat=1761,1771, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 118 ILE HN 118 ILE HG13 4.56 (#peak 2394)
&rst
ixpk= 2394, nxpk= 0, iat=1761,1772, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 118 ILE HN 118 ILE QD1 4.74 (#peak 2392)
&rst
ixpk= 2392, nxpk= 0, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1774,1775,1776,
&end
#
# 118 ILE HN 118 ILE QG2 4.42 (#peak 2397)
&rst
ixpk= 2397, nxpk= 0, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1767,1768,1769,
&end
#
# 118 ILE HA 118 ILE HG12 3.76 (#peak 5712)
&rst
ixpk= 5712, nxpk= 0, iat=1763,1771, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 118 ILE HA 118 ILE HG13 4.14 (#peak 4820)
&rst
ixpk= 4820, nxpk= 0, iat=1763,1772, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 118 ILE HA 118 ILE QD1 4.12 (#peak 2938)
&rst
ixpk= 2938, nxpk= 0, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1774,1775,1776,
&end
#
# 118 ILE HA 118 ILE QG2 3.03 (#peak 320)
&rst
ixpk= 320, nxpk= 0, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1767,1768,1769,
&end
#
# 118 ILE HA 121 ALA HN 4.29 (#peak 2847)
&rst
ixpk= 2847, nxpk= 0, iat=1763,1811, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 118 ILE HB 118 ILE HG13 2.74 (#peak 98)
&rst
ixpk= 98, nxpk= 0, iat=1765,1772, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 118 ILE HB 118 ILE QD1 3.18 (#peak 2933)
&rst
ixpk= 2933, nxpk= 0, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1774,1775,1776,
&end
#
# 118 ILE QG2 118 ILE HG12 3.21 (#peak 321)
&rst
ixpk= 321, nxpk= 0, iat= -1,1771, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=1767,1768,1769,
&end
#
# 118 ILE QG2 118 ILE HG13 3.99 (#peak 319)
&rst
ixpk= 319, nxpk= 0, iat= -1,1772, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1767,1768,1769,
&end
#
# 118 ILE QG2 118 ILE QD1 2.40 (#peak 2934)
&rst
ixpk= 2934, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=1767,1768,1769,
igr2=1774,1775,1776,
&end
#
# 119 ILE HN 119 ILE HB 3.88 (#peak 1676)
&rst
ixpk= 1676, nxpk= 0, iat=1780,1784, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 119 ILE HN 119 ILE HG12 4.69 (#peak 1684)
&rst
ixpk= 1684, nxpk= 0, iat=1780,1790, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 119 ILE HN 119 ILE HG13 5.18 (#peak 1688)
&rst
ixpk= 1688, nxpk= 0, iat=1780,1791, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 119 ILE HN 119 ILE QD1 4.64 (#peak 1687)
&rst
ixpk= 1687, nxpk= 0, iat=1780, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1793,1794,1795,
&end
#
# 119 ILE HN 119 ILE QG2 4.64 (#peak 1682)
&rst
ixpk= 1682, nxpk= 0, iat=1780, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1786,1787,1788,
&end
#
# 119 ILE HA 119 ILE HG12 4.15 (#peak 3236)
&rst
ixpk= 3236, nxpk= 0, iat=1782,1790, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 119 ILE HA 119 ILE HG13 4.04 (#peak 6099)
&rst
ixpk= 6099, nxpk= 0, iat=1782,1791, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 119 ILE HA 119 ILE QD1 3.73 (#peak 5258)
&rst
ixpk= 5258, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1793,1794,1795,
&end
#
# 119 ILE HA 119 ILE QG2 3.62 (#peak 1367)
&rst
ixpk= 1367, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1786,1787,1788,
&end
#
# 119 ILE HB 119 ILE HG12 2.97 (#peak 3235)
&rst
ixpk= 3235, nxpk= 0, iat=1784,1790, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 119 ILE HB 119 ILE QD1 3.74 (#peak 706)
&rst
ixpk= 706, nxpk= 0, iat=1784, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1793,1794,1795,
&end
#
# 119 ILE HB 120 ASP HN 4.64 (#peak 144)
&rst
ixpk= 144, nxpk= 0, iat=1784,1799, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 119 ILE HG12 120 ASP HN 4.97 (#peak 149)
&rst
ixpk= 149, nxpk= 0, iat=1790,1799, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 119 ILE HG13 120 ASP HN 5.05 (#peak 154)
&rst
ixpk= 154, nxpk= 0, iat=1791,1799, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 119 ILE QD1 120 ASP HN 4.43 (#peak 152)
&rst
ixpk= 152, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1793,1794,1795,
&end
#
# 119 ILE QD1 120 ASP HB2 4.67 (#peak 5259)
&rst
ixpk= 5259, nxpk= 0, iat= -1,1803, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1793,1794,1795,
&end
#
# 119 ILE QD1 120 ASP HB3 4.73 (#peak 4562)
&rst
ixpk= 4562, nxpk= 0, iat= -1,1804, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1793,1794,1795,
&end
#
# 119 ILE QG2 119 ILE HG12 3.24 (#peak 2486)
&rst
ixpk= 2486, nxpk= 0, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1786,1787,1788,
&end
#
# 119 ILE QG2 119 ILE HG13 3.03 (#peak 6101)
&rst
ixpk= 6101, nxpk= 0, iat= -1,1791, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1786,1787,1788,
&end
#
# 119 ILE QG2 119 ILE QD1 3.11 (#peak 5260)
&rst
ixpk= 5260, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1786,1787,1788,
igr2=1793,1794,1795,
&end
#
# 119 ILE QG2 120 ASP HN 4.30 (#peak 147)
&rst
ixpk= 147, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1786,1787,1788,
&end
#
# 120 ASP HA 120 ASP HB3 3.00 (#peak 4038)
&rst
ixpk= 4038, nxpk= 0, iat=1801,1804, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 120 ASP HA 121 ALA HN 3.47 (#peak 887)
&rst
ixpk= 887, nxpk= 0, iat=1801,1811, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 120 ASP HA 122 GLN HN 3.76 (#peak 1372)
&rst
ixpk= 1372, nxpk= 0, iat=1801,1821, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 120 ASP HA 123 ILE HB 4.16 (#peak 4035)
&rst
ixpk= 4035, nxpk= 0, iat=1801,1842, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 120 ASP HB3 121 ALA HN 5.02 (#peak 884)
&rst
ixpk= 884, nxpk= 0, iat=1804,1811, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 121 ALA HN 121 ALA QB 2.80 (#peak 881)
&rst
ixpk= 881, nxpk= 0, iat=1811, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1815,1816,1817,
&end
#
# 121 ALA QB 122 GLN HN 3.83 (#peak 1362)
&rst
ixpk= 1362, nxpk= 0, iat= -1,1821, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1815,1816,1817,
&end
#
# 121 ALA QB 122 GLN HE21 5.89 (#peak 1154)
&rst
ixpk= 1154, nxpk= 0, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1815,1816,1817,
&end
#
# 122 GLN HN 122 GLN HB2 3.67 (#peak 1370)
&rst
ixpk= 1370, nxpk= 0, iat=1821,1825, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 122 GLN HN 122 GLN HB3 3.80 (#peak 1363)
&rst
ixpk= 1363, nxpk= 0, iat=1821,1826, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 122 GLN HN 122 GLN HE22 6.15 (#peak 1365)
&rst
ixpk= 1365, nxpk= 0, iat=1821,1834, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 122 GLN HN 122 GLN HG2 4.73 (#peak 1361)
&rst
ixpk= 1361, nxpk= 0, iat=1821,1828, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 122 GLN HN 122 GLN HG3 4.56 (#peak 1366)
&rst
ixpk= 1366, nxpk= 0, iat=1821,1829, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 122 GLN HN 123 ILE HN 3.24 (#peak 1042)
&rst
ixpk= 1042, nxpk= 0, iat=1821,1838, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 122 GLN HA 122 GLN HE21 6.15 (#peak 1156)
&rst
ixpk= 1156, nxpk= 0, iat=1823,1833, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 122 GLN HA 122 GLN HE22 6.08 (#peak 874)
&rst
ixpk= 874, nxpk= 0, iat=1823,1834, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 122 GLN HA 122 GLN HG2 3.83 (#peak 594)
&rst
ixpk= 594, nxpk= 0, iat=1823,1828, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 122 GLN HA 122 GLN HG3 3.77 (#peak 595)
&rst
ixpk= 595, nxpk= 0, iat=1823,1829, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 122 GLN HB2 122 GLN HE21 4.85 (#peak 1161)
&rst
ixpk= 1161, nxpk= 0, iat=1825,1833, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 122 GLN HB2 122 GLN HE22 5.55 (#peak 3750)
&rst
ixpk= 3750, nxpk= 0, iat=1825,1834, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 122 GLN HB2 122 GLN HG3 2.93 (#peak 998)
&rst
ixpk= 998, nxpk= 0, iat=1825,1829, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 122 GLN HB2 123 ILE HN 4.39 (#peak 1043)
&rst
ixpk= 1043, nxpk= 0, iat=1825,1838, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 122 GLN HB3 122 GLN HE21 5.09 (#peak 1155)
&rst
ixpk= 1155, nxpk= 0, iat=1826,1833, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 122 GLN HB3 122 GLN HE22 4.13 (#peak 873)
&rst
ixpk= 873, nxpk= 0, iat=1826,1834, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 122 GLN HB3 123 ILE HN 4.37 (#peak 1033)
&rst
ixpk= 1033, nxpk= 0, iat=1826,1838, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 122 GLN HG2 123 ILE HN 4.88 (#peak 1031)
&rst
ixpk= 1031, nxpk= 0, iat=1828,1838, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 122 GLN HG3 122 GLN HE21 4.04 (#peak 1158)
&rst
ixpk= 1158, nxpk= 0, iat=1829,1833, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 122 GLN HG3 122 GLN HE22 4.06 (#peak 876)
&rst
ixpk= 876, nxpk= 0, iat=1829,1834, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 122 GLN HG3 123 ILE HN 4.63 (#peak 1037)
&rst
ixpk= 1037, nxpk= 0, iat=1829,1838, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 123 ILE HN 123 ILE HB 3.36 (#peak 1041)
&rst
ixpk= 1041, nxpk= 0, iat=1838,1842, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 123 ILE HN 123 ILE HG12 3.64 (#peak 1045)
&rst
ixpk= 1045, nxpk= 0, iat=1838,1848, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 123 ILE HN 123 ILE HG13 3.64 (#peak 1040)
&rst
ixpk= 1040, nxpk= 0, iat=1838,1849, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 123 ILE HN 123 ILE QD1 4.82 (#peak 1036)
&rst
ixpk= 1036, nxpk= 0, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1851,1852,1853,
&end
#
# 123 ILE HN 123 ILE QG2 4.98 (#peak 1044)
&rst
ixpk= 1044, nxpk= 0, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1844,1845,1846,
&end
#
# 123 ILE HN 124 SER HN 4.25 (#peak 1008)
&rst
ixpk= 1008, nxpk= 0, iat=1838,1857, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 123 ILE HA 123 ILE HG12 3.73 (#peak 4903)
&rst
ixpk= 4903, nxpk= 0, iat=1840,1848, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 123 ILE HA 123 ILE HG13 2.94 (#peak 1444)
&rst
ixpk= 1444, nxpk= 0, iat=1840,1849, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 123 ILE HA 123 ILE QD1 4.00 (#peak 5681)
&rst
ixpk= 5681, nxpk= 0, iat=1840, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1851,1852,1853,
&end
#
# 123 ILE HA 123 ILE QG2 2.40 (#peak 4152)
&rst
ixpk= 4152, nxpk= 0, iat=1840, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2=1844,1845,1846,
&end
#
# 123 ILE HA 126 ALA QB 3.66 (#peak 6967)
&rst
ixpk= 6967, nxpk= 0, iat=1840, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1886,1887,1888,
&end
#
# 123 ILE HB 123 ILE HG13 2.91 (#peak 1441)
&rst
ixpk= 1441, nxpk= 0, iat=1842,1849, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 123 ILE HB 123 ILE QD1 2.63 (#peak 2186)
&rst
ixpk= 2186, nxpk= 0, iat=1842, -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
igr2=1851,1852,1853,
&end
#
# 123 ILE HB 124 SER HN 3.40 (#peak 1010)
&rst
ixpk= 1010, nxpk= 0, iat=1842,1857, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 123 ILE HB 124 SER HA 4.27 (#peak 3253)
&rst
ixpk= 3253, nxpk= 0, iat=1842,1859, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 123 ILE HB 125 ASN HN 5.00 (#peak 188)
&rst
ixpk= 188, nxpk= 0, iat=1842,1868, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 123 ILE QG2 123 ILE HG12 2.40 (#peak 4151)
&rst
ixpk= 4151, nxpk= 0, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr1=1844,1845,1846,
&end
#
# 123 ILE QG2 123 ILE HG13 3.17 (#peak 1442)
&rst
ixpk= 1442, nxpk= 0, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=1844,1845,1846,
&end
#
# 123 ILE QG2 123 ILE QD1 2.40 (#peak 4144)
&rst
ixpk= 4144, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=1844,1845,1846,
igr2=1851,1852,1853,
&end
#
# 123 ILE QG2 124 SER HN 4.57 (#peak 1013)
&rst
ixpk= 1013, nxpk= 0, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1844,1845,1846,
&end
#
# 124 SER HN 124 SER QB 3.73 (#peak 1012)
&rst
ixpk= 1012, nxpk= 0, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1861,1862,
&end
#
# 124 SER HA 124 SER QB 2.41 (#peak 3556)
&rst
ixpk= 3556, nxpk= 0, iat=1859, -1, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,
igr2=1861,1862,
&end
#
# 124 SER QB 125 ASN HN 4.57 (#peak 191)
&rst
ixpk= 191, nxpk= 0, iat= -1,1868, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1861,1862,
&end
#
# 125 ASN HN 125 ASN HB2 3.95 (#peak 187)
&rst
ixpk= 187, nxpk= 0, iat=1868,1872, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 125 ASN HN 125 ASN HB3 4.02 (#peak 192)
&rst
ixpk= 192, nxpk= 0, iat=1868,1873, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 125 ASN HN 125 ASN HD22 4.49 (#peak 194)
&rst
ixpk= 194, nxpk= 0, iat=1868,1878, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 125 ASN HN 126 ALA HN 4.58 (#peak 186)
&rst
ixpk= 186, nxpk= 0, iat=1868,1882, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 125 ASN HN 126 ALA QB 5.81 (#peak 189)
&rst
ixpk= 189, nxpk= 0, iat=1868, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2=1886,1887,1888,
&end
#
# 125 ASN HA 125 ASN HB2 3.01 (#peak 160)
&rst
ixpk= 160, nxpk= 0, iat=1870,1872, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 125 ASN HA 125 ASN HD21 4.42 (#peak 2331)
&rst
ixpk= 2331, nxpk= 0, iat=1870,1877, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 125 ASN HA 125 ASN HD22 6.15 (#peak 2337)
&rst
ixpk= 2337, nxpk= 0, iat=1870,1878, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 125 ASN HB2 125 ASN HD21 3.84 (#peak 2332)
&rst
ixpk= 2332, nxpk= 0, iat=1872,1877, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 125 ASN HB2 126 ALA HN 4.34 (#peak 642)
&rst
ixpk= 642, nxpk= 0, iat=1872,1882, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 125 ASN HB3 126 ALA HN 4.48 (#peak 644)
&rst
ixpk= 644, nxpk= 0, iat=1873,1882, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 126 ALA HN 126 ALA QB 2.93 (#peak 643)
&rst
ixpk= 643, nxpk= 0, iat=1882, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2=1886,1887,1888,
&end
#
# 126 ALA HA 129 ALA QB 3.39 (#peak 6966)
&rst
ixpk= 6966, nxpk= 0, iat=1884, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1929,1930,1931,
&end
#
# 126 ALA QB 127 LEU HN 4.35 (#peak 980)
&rst
ixpk= 980, nxpk= 0, iat= -1,1892, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1886,1887,1888,
&end
#
# 127 LEU HN 127 LEU HB2 4.06 (#peak 982)
&rst
ixpk= 982, nxpk= 0, iat=1892,1896, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 127 LEU HN 127 LEU HB3 4.06 (#peak 974)
&rst
ixpk= 974, nxpk= 0, iat=1892,1897, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 127 LEU HN 127 LEU HG 4.41 (#peak 977)
&rst
ixpk= 977, nxpk= 0, iat=1892,1899, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 127 LEU HN 127 LEU QD1 4.57 (#peak 981)
&rst
ixpk= 981, nxpk= 0, iat=1892, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1901,1902,1903,
&end
#
# 127 LEU HN 127 LEU QD2 4.94 (#peak 983)
&rst
ixpk= 983, nxpk= 0, iat=1892, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1905,1906,1907,
&end
#
# 127 LEU HN 128 ASN HN 3.23 (#peak 979)
&rst
ixpk= 979, nxpk= 0, iat=1892,1911, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 127 LEU HA 127 LEU HB2 2.96 (#peak 5993)
&rst
ixpk= 5993, nxpk= 0, iat=1894,1896, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 127 LEU HA 127 LEU HB3 2.86 (#peak 5997)
&rst
ixpk= 5997, nxpk= 0, iat=1894,1897, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 127 LEU HA 127 LEU HG 4.14 (#peak 1846)
&rst
ixpk= 1846, nxpk= 0, iat=1894,1899, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 127 LEU HA 127 LEU QD1 3.51 (#peak 5996)
&rst
ixpk= 5996, nxpk= 0, iat=1894, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1901,1902,1903,
&end
#
# 127 LEU HA 127 LEU QD2 3.88 (#peak 5995)
&rst
ixpk= 5995, nxpk= 0, iat=1894, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1905,1906,1907,
&end
#
# 127 LEU HB2 127 LEU HG 2.81 (#peak 2761)
&rst
ixpk= 2761, nxpk= 0, iat=1896,1899, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 127 LEU HB2 127 LEU QD1 3.28 (#peak 4652)
&rst
ixpk= 4652, nxpk= 0, iat=1896, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1901,1902,1903,
&end
#
# 127 LEU HB2 127 LEU QD2 3.23 (#peak 3037)
&rst
ixpk= 3037, nxpk= 0, iat=1896, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1905,1906,1907,
&end
#
# 127 LEU HB2 128 ASN HN 4.59 (#peak 996)
&rst
ixpk= 996, nxpk= 0, iat=1896,1911, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 127 LEU HB3 127 LEU QD1 2.94 (#peak 5547)
&rst
ixpk= 5547, nxpk= 0, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1901,1902,1903,
&end
#
# 127 LEU HB3 127 LEU QD2 3.17 (#peak 5546)
&rst
ixpk= 5546, nxpk= 0, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1905,1906,1907,
&end
#
# 127 LEU QD1 128 ASN HN 4.88 (#peak 995)
&rst
ixpk= 995, nxpk= 0, iat= -1,1911, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1901,1902,1903,
&end
#
# 128 ASN HN 129 ALA HN 3.57 (#peak 484)
&rst
ixpk= 484, nxpk= 0, iat=1911,1925, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 128 ASN HA 128 ASN HD21 6.15 (#peak 2485)
&rst
ixpk= 2485, nxpk= 0, iat=1913,1920, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 128 ASN HA 128 ASN HD22 5.23 (#peak 1654)
&rst
ixpk= 1654, nxpk= 0, iat=1913,1921, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 128 ASN HB2 128 ASN HD21 4.01 (#peak 819)
&rst
ixpk= 819, nxpk= 0, iat=1915,1920, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 128 ASN HB2 129 ALA HN 4.97 (#peak 481)
&rst
ixpk= 481, nxpk= 0, iat=1915,1925, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 128 ASN HB2 129 ALA HA 4.81 (#peak 6963)
&rst
ixpk= 6963, nxpk= 0, iat=1915,1927, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 128 ASN HB3 128 ASN HD21 3.93 (#peak 3333)
&rst
ixpk= 3333, nxpk= 0, iat=1916,1920, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 128 ASN HB3 129 ALA HN 5.05 (#peak 485)
&rst
ixpk= 485, nxpk= 0, iat=1916,1925, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 128 ASN HB3 129 ALA HA 4.62 (#peak 6962)
&rst
ixpk= 6962, nxpk= 0, iat=1916,1927, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 129 ALA HN 129 ALA QB 3.89 (#peak 482)
&rst
ixpk= 482, nxpk= 0, iat=1925, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1929,1930,1931,
&end
#
# 129 ALA QB 130 GLN HN 4.13 (#peak 745)
&rst
ixpk= 745, nxpk= 0, iat= -1,1935, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1929,1930,1931,
&end
#
# 130 GLN HN 130 GLN HB2 3.82 (#peak 750)
&rst
ixpk= 750, nxpk= 0, iat=1935,1939, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 130 GLN HN 130 GLN HB3 4.15 (#peak 746)
&rst
ixpk= 746, nxpk= 0, iat=1935,1940, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 130 GLN HN 130 GLN HE21 6.15 (#peak 752)
&rst
ixpk= 752, nxpk= 0, iat=1935,1947, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 130 GLN HN 130 GLN HE22 6.15 (#peak 744)
&rst
ixpk= 744, nxpk= 0, iat=1935,1948, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 130 GLN HN 130 GLN HG2 4.64 (#peak 754)
&rst
ixpk= 754, nxpk= 0, iat=1935,1942, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 130 GLN HN 130 GLN HG3 3.49 (#peak 747)
&rst
ixpk= 747, nxpk= 0, iat=1935,1943, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 130 GLN HN 131 GLN HN 4.76 (#peak 751)
&rst
ixpk= 751, nxpk= 0, iat=1935,1952, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 130 GLN HA 130 GLN HE22 5.96 (#peak 70)
&rst
ixpk= 70, nxpk= 0, iat=1937,1948, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 130 GLN HA 130 GLN HG2 3.57 (#peak 3695)
&rst
ixpk= 3695, nxpk= 0, iat=1937,1942, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 130 GLN HA 130 GLN HG3 3.66 (#peak 261)
&rst
ixpk= 261, nxpk= 0, iat=1937,1943, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 130 GLN HB2 130 GLN HE21 4.22 (#peak 1621)
&rst
ixpk= 1621, nxpk= 0, iat=1939,1947, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 130 GLN HB2 130 GLN HE22 4.40 (#peak 71)
&rst
ixpk= 71, nxpk= 0, iat=1939,1948, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 130 GLN HB2 130 GLN HG3 2.69 (#peak 264)
&rst
ixpk= 264, nxpk= 0, iat=1939,1943, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 130 GLN HB2 131 GLN HN 4.68 (#peak 1430)
&rst
ixpk= 1430, nxpk= 0, iat=1939,1952, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 130 GLN HB3 130 GLN HE21 3.95 (#peak 1617)
&rst
ixpk= 1617, nxpk= 0, iat=1940,1947, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 130 GLN HB3 130 GLN HE22 4.33 (#peak 5819)
&rst
ixpk= 5819, nxpk= 0, iat=1940,1948, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 130 GLN HB3 130 GLN HG2 2.75 (#peak 5823)
&rst
ixpk= 5823, nxpk= 0, iat=1940,1942, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 130 GLN HE21 131 GLN HN 6.15 (#peak 1435)
&rst
ixpk= 1435, nxpk= 0, iat=1947,1952, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 130 GLN HE22 131 GLN HN 6.02 (#peak 1431)
&rst
ixpk= 1431, nxpk= 0, iat=1948,1952, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 130 GLN HG2 130 GLN HE21 3.64 (#peak 3701)
&rst
ixpk= 3701, nxpk= 0, iat=1942,1947, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 130 GLN HG3 130 GLN HE21 3.61 (#peak 1618)
&rst
ixpk= 1618, nxpk= 0, iat=1943,1947, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 131 GLN HN 131 GLN HG2 5.29 (#peak 1438)
&rst
ixpk= 1438, nxpk= 0, iat=1952,1959, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 131 GLN HN 131 GLN HG3 5.53 (#peak 1433)
&rst
ixpk= 1433, nxpk= 0, iat=1952,1960, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 131 GLN HN 132 TYR HN 4.71 (#peak 1429)
&rst
ixpk= 1429, nxpk= 0, iat=1952,1969, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 131 GLN HA 131 GLN HE21 4.78 (#peak 858)
&rst
ixpk= 858, nxpk= 0, iat=1954,1964, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 131 GLN HA 131 GLN HE22 5.98 (#peak 2018)
&rst
ixpk= 2018, nxpk= 0, iat=1954,1965, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 131 GLN HA 131 GLN HG3 3.69 (#peak 2893)
&rst
ixpk= 2893, nxpk= 0, iat=1954,1960, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 131 GLN HB2 131 GLN HE21 5.44 (#peak 865)
&rst
ixpk= 865, nxpk= 0, iat=1956,1964, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 131 GLN HB2 131 GLN HE22 5.26 (#peak 2026)
&rst
ixpk= 2026, nxpk= 0, iat=1956,1965, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 131 GLN HB2 132 TYR HN 5.27 (#peak 846)
&rst
ixpk= 846, nxpk= 0, iat=1956,1969, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 131 GLN HB3 131 GLN HE21 5.27 (#peak 864)
&rst
ixpk= 864, nxpk= 0, iat=1957,1964, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 131 GLN HB3 131 GLN HE22 5.00 (#peak 2025)
&rst
ixpk= 2025, nxpk= 0, iat=1957,1965, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 131 GLN HB3 132 TYR HN 5.42 (#peak 844)
&rst
ixpk= 844, nxpk= 0, iat=1957,1969, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 131 GLN HE22 132 TYR HN 5.93 (#peak 843)
&rst
ixpk= 843, nxpk= 0, iat=1965,1969, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 131 GLN HG2 131 GLN HE21 3.61 (#peak 273)
&rst
ixpk= 273, nxpk= 0, iat=1959,1964, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 131 GLN HG2 132 TYR HN 6.15 (#peak 847)
&rst
ixpk= 847, nxpk= 0, iat=1959,1969, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 131 GLN HG3 131 GLN HE21 3.74 (#peak 2895)
&rst
ixpk= 2895, nxpk= 0, iat=1960,1964, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 131 GLN HG3 132 TYR HN 5.69 (#peak 842)
&rst
ixpk= 842, nxpk= 0, iat=1960,1969, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 132 TYR HN 132 TYR HB3 4.14 (#peak 837)
&rst
ixpk= 837, nxpk= 0, iat=1969,1974, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 132 TYR HN 132 TYR QD 4.81 (#peak 835)
&rst
ixpk= 835, nxpk= 0, iat=1969, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1977,1986,
&end
#
# 132 TYR HN 77 VAL O 2.4
&rst
ixpk= 835, nxpk= 0, iat=1969,1161, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 132 TYR HA 132 TYR QD 3.48 (#peak 3064)
&rst
ixpk= 3064, nxpk= 0, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1977,1986,
&end
#
# 132 TYR HB2 133 LYS HN 4.84 (#peak 416)
&rst
ixpk= 416, nxpk= 0, iat=1973,1990, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 132 TYR HB3 133 LYS HN 4.86 (#peak 406)
&rst
ixpk= 406, nxpk= 0, iat=1974,1990, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 132 TYR N 77 VAL O 3.3
&rst
ixpk= 406, nxpk= 0, iat=1968,1161, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 132 TYR QD 133 LYS HN 4.94 (#peak 404)
&rst
ixpk= 404, nxpk= 0, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1977,1986,
&end
#
# 133 LYS HN 133 LYS HB2 3.85 (#peak 407)
&rst
ixpk= 407, nxpk= 0, iat=1990,1994, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 133 LYS HN 133 LYS HB3 3.83 (#peak 409)
&rst
ixpk= 409, nxpk= 0, iat=1990,1995, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 133 LYS HN 133 LYS HG2 4.63 (#peak 418)
&rst
ixpk= 418, nxpk= 0, iat=1990,1997, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 133 LYS HN 133 LYS HG3 4.81 (#peak 412)
&rst
ixpk= 412, nxpk= 0, iat=1990,1998, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 133 LYS HN 133 LYS QD 5.02 (#peak 410)
&rst
ixpk= 410, nxpk= 0, iat=1990, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=2000,2001,
&end
#
# 133 LYS HN 134 VAL HN 4.97 (#peak 414)
&rst
ixpk= 414, nxpk= 0, iat=1990,2012, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 133 LYS HN 172 VAL QG1 5.85 (#peak 411)
&rst
ixpk= 411, nxpk= 0, iat=1990, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2=2633,2634,2635,
&end
#
# 133 LYS HN 173 ASP HN 4.55 (#peak 1960)
&rst
ixpk= 1960, nxpk= 0, iat=1990,2643, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 133 LYS HN 173 ASP HA 5.24 (#peak 403)
&rst
ixpk= 403, nxpk= 0, iat=1990,2645, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 133 LYS HA 133 LYS HG2 4.24 (#peak 5869)
&rst
ixpk= 5869, nxpk= 0, iat=1992,1997, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 133 LYS HA 133 LYS HG3 3.98 (#peak 5864)
&rst
ixpk= 5864, nxpk= 0, iat=1992,1998, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 133 LYS HA 133 LYS QD 4.33 (#peak 5863)
&rst
ixpk= 5863, nxpk= 0, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=2000,2001,
&end
#
# 133 LYS HB2 133 LYS HG3 3.00 (#peak 1250)
&rst
ixpk= 1250, nxpk= 0, iat=1994,1998, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 133 LYS HB2 133 LYS QD 3.28 (#peak 2062)
&rst
ixpk= 2062, nxpk= 0, iat=1994, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=2000,2001,
&end
#
# 133 LYS HB2 173 ASP HA 4.43 (#peak 1259)
&rst
ixpk= 1259, nxpk= 0, iat=1994,2645, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 133 LYS HB3 133 LYS HG2 2.97 (#peak 1929)
&rst
ixpk= 1929, nxpk= 0, iat=1995,1997, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 133 LYS HB3 133 LYS QD 3.07 (#peak 1924)
&rst
ixpk= 1924, nxpk= 0, iat=1995, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2=2000,2001,
&end
#
# 133 LYS HB3 134 VAL HN 4.53 (#peak 2037)
&rst
ixpk= 2037, nxpk= 0, iat=1995,2012, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 133 LYS HB3 173 ASP HN 3.67 (#peak 1966)
&rst
ixpk= 1966, nxpk= 0, iat=1995,2643, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 133 LYS HB3 173 ASP HA 3.12 (#peak 1934)
&rst
ixpk= 1934, nxpk= 0, iat=1995,2645, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 133 LYS HB3 173 ASP HB3 4.14 (#peak 1930)
&rst
ixpk= 1930, nxpk= 0, iat=1995,2648, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 133 LYS HG2 133 LYS QD 2.80 (#peak 2068)
&rst
ixpk= 2068, nxpk= 0, iat=1997, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2000,2001,
&end
#
# 133 LYS HG2 134 VAL HN 3.89 (#peak 2042)
&rst
ixpk= 2042, nxpk= 0, iat=1997,2012, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 133 LYS HG2 173 ASP HN 4.46 (#peak 1971)
&rst
ixpk= 1971, nxpk= 0, iat=1997,2643, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 133 LYS HG3 133 LYS QD 2.69 (#peak 2849)
&rst
ixpk= 2849, nxpk= 0, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr2=2000,2001,
&end
#
# 133 LYS HG3 134 VAL HN 4.06 (#peak 2039)
&rst
ixpk= 2039, nxpk= 0, iat=1998,2012, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 133 LYS HG3 173 ASP HN 6.01 (#peak 1969)
&rst
ixpk= 1969, nxpk= 0, iat=1998,2643, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 134 VAL HN 134 VAL HB 4.13 (#peak 2030)
&rst
ixpk= 2030, nxpk= 0, iat=2012,2016, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 134 VAL HN 134 VAL QG1 3.46 (#peak 2044)
&rst
ixpk= 2044, nxpk= 0, iat=2012, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=2018,2019,2020,
&end
#
# 134 VAL HN 134 VAL QG2 3.37 (#peak 2035)
&rst
ixpk= 2035, nxpk= 0, iat=2012, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=2022,2023,2024,
&end
#
# 134 VAL HN 135 LEU HN 5.38 (#peak 2031)
&rst
ixpk= 2031, nxpk= 0, iat=2012,2028, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 134 VAL HN 75 CYS O 2.4
&rst
ixpk= 2031, nxpk= 0, iat=2012,1123, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 134 VAL HA 134 VAL QG1 3.48 (#peak 4809)
&rst
ixpk= 4809, nxpk= 0, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=2018,2019,2020,
&end
#
# 134 VAL HA 134 VAL QG2 3.25 (#peak 1355)
&rst
ixpk= 1355, nxpk= 0, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=2022,2023,2024,
&end
#
# 134 VAL HA 135 LEU HN 3.54 (#peak 597)
&rst
ixpk= 597, nxpk= 0, iat=2014,2028, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 134 VAL HA 172 VAL HA 3.40 (#peak 2341)
&rst
ixpk= 2341, nxpk= 0, iat=2014,2629, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 134 VAL HA 173 ASP HN 4.06 (#peak 1963)
&rst
ixpk= 1963, nxpk= 0, iat=2014,2643, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 134 VAL HB 135 LEU HN 5.90 (#peak 594)
&rst
ixpk= 594, nxpk= 0, iat=2016,2028, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 134 VAL N 75 CYS O 3.3
&rst
ixpk= 594, nxpk= 0, iat=2011,1123, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 134 VAL QG1 172 VAL HB 3.21 (#peak 4813)
&rst
ixpk= 4813, nxpk= 0, iat= -1,2631, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=2018,2019,2020,
&end
#
# 134 VAL QG1 172 VAL QG1 2.85 (#peak 4808)
&rst
ixpk= 4808, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=2018,2019,2020,
igr2=2633,2634,2635,
&end
#
# 135 LEU HN 135 LEU HB2 4.14 (#peak 600)
&rst
ixpk= 600, nxpk= 0, iat=2028,2032, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 135 LEU HN 135 LEU HG 3.70 (#peak 601)
&rst
ixpk= 601, nxpk= 0, iat=2028,2035, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 135 LEU HN 135 LEU QD1 4.69 (#peak 596)
&rst
ixpk= 596, nxpk= 0, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=2037,2038,2039,
&end
#
# 135 LEU HN 135 LEU QD2 5.43 (#peak 592)
&rst
ixpk= 592, nxpk= 0, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=2041,2042,2043,
&end
#
# 135 LEU HN 171 ALA HN 4.51 (#peak 2243)
&rst
ixpk= 2243, nxpk= 0, iat=2028,2617, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 135 LEU HN 171 ALA O 2.4
&rst
ixpk= 2243, nxpk= 0, iat=2028,2625, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 135 LEU HN 171 ALA QB 5.72 (#peak 598)
&rst
ixpk= 598, nxpk= 0, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr2=2621,2622,2623,
&end
#
# 135 LEU HN 172 VAL HA 3.97 (#peak 605)
&rst
ixpk= 605, nxpk= 0, iat=2028,2629, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 135 LEU HA 135 LEU HG 4.04 (#peak 5877)
&rst
ixpk= 5877, nxpk= 0, iat=2030,2035, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 135 LEU HA 135 LEU QD1 4.08 (#peak 5881)
&rst
ixpk= 5881, nxpk= 0, iat=2030, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=2037,2038,2039,
&end
#
# 135 LEU HA 135 LEU QD2 4.46 (#peak 2573)
&rst
ixpk= 2573, nxpk= 0, iat=2030, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=2041,2042,2043,
&end
#
# 135 LEU HB2 135 LEU QD1 3.56 (#peak 5646)
&rst
ixpk= 5646, nxpk= 0, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=2037,2038,2039,
&end
#
# 135 LEU HB2 135 LEU QD2 3.72 (#peak 2566)
&rst
ixpk= 2566, nxpk= 0, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=2041,2042,2043,
&end
#
# 135 LEU HB2 171 ALA HN 6.15 (#peak 2247)
&rst
ixpk= 2247, nxpk= 0, iat=2032,2617, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 135 LEU HB3 135 LEU QD1 3.93 (#peak 5652)
&rst
ixpk= 5652, 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 3.38 (#peak 2575)
&rst
ixpk= 2575, nxpk= 0, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=2041,2042,2043,
&end
#
# 135 LEU HG 142 MET QE 4.04 (#peak 6570)
&rst
ixpk= 6570, nxpk= 0, iat=2035, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2161,2162,2163,
&end
#
# 135 LEU HG 171 ALA HN 5.17 (#peak 2251)
&rst
ixpk= 2251, nxpk= 0, iat=2035,2617, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 135 LEU HG 171 ALA QB 3.90 (#peak 2727)
&rst
ixpk= 2727, nxpk= 0, iat=2035, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2621,2622,2623,
&end
#
# 135 LEU N 171 ALA O 3.3
&rst
ixpk= 2727, 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 4.94 (#peak 7106)
&rst
ixpk= 7106, nxpk= 0, iat= -1,2139, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=2037,2038,2039,
&end
#
# 135 LEU QD1 142 MET QE 3.40 (#peak 6460)
&rst
ixpk= 6460, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=2037,2038,2039,
igr2=2161,2162,2163,
&end
#
# 135 LEU QD1 145 ASN HD21 4.27 (#peak 6911)
&rst
ixpk= 6911, nxpk= 0, iat= -1,2219, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=2037,2038,2039,
&end
#
# 135 LEU QD1 145 ASN HD22 5.27 (#peak 6912)
&rst
ixpk= 6912, nxpk= 0, iat= -1,2220, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=2037,2038,2039,
&end
#
# 135 LEU QD1 171 ALA HN 6.08 (#peak 2244)
&rst
ixpk= 2244, nxpk= 0, iat= -1,2617, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=2037,2038,2039,
&end
#
# 135 LEU QD1 171 ALA HA 5.48 (#peak 5641)
&rst
ixpk= 5641, nxpk= 0, iat= -1,2619, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=2037,2038,2039,
&end
#
# 135 LEU QD1 171 ALA QB 3.64 (#peak 5640)
&rst
ixpk= 5640, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=2037,2038,2039,
igr2=2621,2622,2623,
&end
#
# 135 LEU QD2 136 ILE HN 5.61 (#peak 2183)
&rst
ixpk= 2183, nxpk= 0, iat= -1,2047, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2041,2042,2043,
&end
#
# 135 LEU QD2 142 MET QE 4.07 (#peak 6615)
&rst
ixpk= 6615, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=2041,2042,2043,
igr2=2161,2162,2163,
&end
#
# 135 LEU QD2 145 ASN HB2 3.72 (#peak 7055)
&rst
ixpk= 7055, nxpk= 0, iat= -1,2214, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=2041,2042,2043,
&end
#
# 135 LEU QD2 145 ASN HB3 3.92 (#peak 7056)
&rst
ixpk= 7056, nxpk= 0, iat= -1,2215, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=2041,2042,2043,
&end
#
# 135 LEU QD2 145 ASN HD21 4.07 (#peak 6906)
&rst
ixpk= 6906, nxpk= 0, iat= -1,2219, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=2041,2042,2043,
&end
#
# 135 LEU QD2 145 ASN HD22 3.95 (#peak 6907)
&rst
ixpk= 6907, nxpk= 0, iat= -1,2220, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=2041,2042,2043,
&end
#
# 135 LEU QD2 147 LEU QD1 4.19 (#peak 6489)
&rst
ixpk= 6489, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=2041,2042,2043,
igr2=2240,2241,2242,
&end
#
# 135 LEU QD2 171 ALA HN 5.44 (#peak 2631)
&rst
ixpk= 2631, nxpk= 0, iat= -1,2617, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=2041,2042,2043,
&end
#
# 135 LEU QD2 171 ALA QB 3.37 (#peak 1272)
&rst
ixpk= 1272, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2041,2042,2043,
igr2=2621,2622,2623,
&end
#
# 135 LEU QD2 172 VAL HA 4.54 (#peak 6910)
&rst
ixpk= 6910, nxpk= 0, iat= -1,2629, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=2041,2042,2043,
&end
#
# 136 ILE HN 136 ILE HG12 4.98 (#peak 2186)
&rst
ixpk= 2186, nxpk= 0, iat=2047,2057, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 136 ILE HN 136 ILE HG13 5.74 (#peak 2196)
&rst
ixpk= 2196, nxpk= 0, iat=2047,2058, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 136 ILE HN 136 ILE QD1 5.22 (#peak 2194)
&rst
ixpk= 2194, nxpk= 0, iat=2047, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=2060,2061,2062,
&end
#
# 136 ILE HN 136 ILE QG2 4.92 (#peak 2185)
&rst
ixpk= 2185, nxpk= 0, iat=2047, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=2053,2054,2055,
&end
#
# 136 ILE HN 186 atp H2 5.69 (#peak 2798)
&rst
ixpk= 2798, nxpk= 0, iat=2047,2854, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 136 ILE HA 136 ILE QD1 4.38 (#peak 4410)
&rst
ixpk= 4410, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=2060,2061,2062,
&end
#
# 136 ILE HA 136 ILE QG2 3.61 (#peak 28)
&rst
ixpk= 28, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=2053,2054,2055,
&end
#
# 136 ILE HA 137 GLY HN 3.32 (#peak 1057)
&rst
ixpk= 1057, nxpk= 0, iat=2049,2066, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 136 ILE HA 137 GLY HA3 4.67 (#peak 4414)
&rst
ixpk= 4414, nxpk= 0, iat=2049,2069, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 136 ILE HA 142 MET QE 3.66 (#peak 6838)
&rst
ixpk= 6838, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=2161,2162,2163,
&end
#
# 136 ILE HB 136 ILE QD1 3.49 (#peak 3988)
&rst
ixpk= 3988, nxpk= 0, iat=2051, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=2060,2061,2062,
&end
#
# 136 ILE HB 137 GLY HN 5.25 (#peak 1055)
&rst
ixpk= 1055, nxpk= 0, iat=2051,2066, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 136 ILE HG12 137 GLY HN 5.74 (#peak 1052)
&rst
ixpk= 1052, nxpk= 0, iat=2057,2066, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 136 ILE QD1 137 GLY HN 5.21 (#peak 1059)
&rst
ixpk= 1059, nxpk= 0, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=2060,2061,2062,
&end
#
# 136 ILE QD1 137 GLY HA2 5.50 (#peak 5059)
&rst
ixpk= 5059, nxpk= 0, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2060,2061,2062,
&end
#
# 136 ILE QG2 136 ILE HG12 3.42 (#peak 23)
&rst
ixpk= 23, nxpk= 0, iat= -1,2057, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=2053,2054,2055,
&end
#
# 136 ILE QG2 136 ILE HG13 3.27 (#peak 29)
&rst
ixpk= 29, nxpk= 0, iat= -1,2058, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2053,2054,2055,
&end
#
# 136 ILE QG2 136 ILE QD1 3.29 (#peak 27)
&rst
ixpk= 27, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=2053,2054,2055,
igr2=2060,2061,2062,
&end
#
# 136 ILE QG2 186 atp H2 3.48 (#peak 6875)
&rst
ixpk= 6875, nxpk= 0, iat= -1,2854, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=2053,2054,2055,
&end
#
# 137 GLY HN 138 ASN HN 4.48 (#peak 1048)
&rst
ixpk= 1048, nxpk= 0, iat=2066,2073, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 137 GLY HN 142 MET QE 3.76 (#peak 6843)
&rst
ixpk= 6843, nxpk= 0, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=2161,2162,2163,
&end
#
# 137 GLY HN 168 VAL HB 5.02 (#peak 1060)
&rst
ixpk= 1060, nxpk= 0, iat=2066,2570, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 137 GLY HN 168 VAL QG2 5.96 (#peak 2613)
&rst
ixpk= 2613, nxpk= 0, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2=2576,2577,2578,
&end
#
# 137 GLY HN 169 LEU HN 5.92 (#peak 1053)
&rst
ixpk= 1053, nxpk= 0, iat=2066,2582, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 137 GLY HN 169 LEU QD1 5.44 (#peak 1047)
&rst
ixpk= 1047, nxpk= 0, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=2591,2592,2593,
&end
#
# 138 ASN HN 138 ASN HD21 6.15 (#peak 2746)
&rst
ixpk= 2746, nxpk= 0, iat=2073,2082, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 138 ASN HN 138 ASN HD22 6.14 (#peak 2747)
&rst
ixpk= 2747, nxpk= 0, iat=2073,2083, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 138 ASN HN 168 VAL QG1 4.38 (#peak 330)
&rst
ixpk= 330, nxpk= 0, iat=2073, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=2572,2573,2574,
&end
#
# 138 ASN HN 186 atp H10 5.35 (#peak 2760)
&rst
ixpk= 2760, nxpk= 0, iat=2073,2842, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 138 ASN HA 168 VAL HB 5.34 (#peak 6454)
&rst
ixpk= 6454, nxpk= 0, iat=2075,2570, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 138 ASN HA 168 VAL QG1 4.69 (#peak 3015)
&rst
ixpk= 3015, nxpk= 0, iat=2075, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=2572,2573,2574,
&end
#
# 138 ASN HA 169 LEU HN 5.88 (#peak 897)
&rst
ixpk= 897, nxpk= 0, iat=2075,2582, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 138 ASN HB2 139 ARG HN 5.78 (#peak 2200)
&rst
ixpk= 2200, nxpk= 0, iat=2077,2087, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 138 ASN HB3 139 ARG HN 5.80 (#peak 2204)
&rst
ixpk= 2204, nxpk= 0, iat=2078,2087, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 138 ASN HD21 139 ARG HN 6.15 (#peak 2749)
&rst
ixpk= 2749, nxpk= 0, iat=2082,2087, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 138 ASN HD21 186 atp H10 6.15 (#peak 2767)
&rst
ixpk= 2767, nxpk= 0, iat=2082,2842, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 138 ASN HD21 186 atp H40 4.80 (#peak 2796)
&rst
ixpk= 2796, nxpk= 0, iat=2082,2839, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 138 ASN HD22 139 ARG HN 6.15 (#peak 2751)
&rst
ixpk= 2751, nxpk= 0, iat=2083,2087, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 138 ASN HD22 186 atp H40 4.82 (#peak 2797)
&rst
ixpk= 2797, nxpk= 0, iat=2083,2839, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 138 ASN HD22 186 atp H50 5.89 (#peak 2877)
&rst
ixpk= 2877, nxpk= 0, iat=2083,2836, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 139 ARG HN 142 MET QB 6.15 (#peak 2723)
&rst
ixpk= 2723, nxpk= 0, iat=2087, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=2154,2155,
&end
#
# 139 ARG HN 169 LEU QD1 5.85 (#peak 2722)
&rst
ixpk= 2722, nxpk= 0, iat=2087, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2=2591,2592,2593,
&end
#
# 139 ARG HA 139 ARG QB 2.84 (#peak 435)
&rst
ixpk= 435, nxpk= 0, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2=2091,2092,
&end
#
# 139 ARG HA 142 MET HN 6.15 (#peak 2775)
&rst
ixpk= 2775, nxpk= 0, iat=2089,2150, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 139 ARG HA 142 MET QB 3.45 (#peak 7069)
&rst
ixpk= 7069, nxpk= 0, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=2154,2155,
&end
#
# 139 ARG HA 143 ILE QG1 5.49 (#peak 6760)
&rst
ixpk= 6760, nxpk= 0, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=2177,2178,
&end
#
# 139 ARG QB 140 GLU HN 4.96 (#peak 262)
&rst
ixpk= 262, nxpk= 0, iat= -1,2111, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=2091,2092,
&end
#
# 140 GLU HN 140 GLU HG2 5.17 (#peak 264)
&rst
ixpk= 264, nxpk= 0, iat=2111,2118, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 140 GLU HN 140 GLU HG3 5.15 (#peak 268)
&rst
ixpk= 268, nxpk= 0, iat=2111,2119, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 140 GLU HA 140 GLU HG2 3.61 (#peak 5186)
&rst
ixpk= 5186, nxpk= 0, iat=2113,2118, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 140 GLU HA 140 GLU HG3 4.01 (#peak 5183)
&rst
ixpk= 5183, nxpk= 0, iat=2113,2119, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 140 GLU HA 143 ILE HB 3.57 (#peak 6848)
&rst
ixpk= 6848, nxpk= 0, iat=2113,2171, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 140 GLU HA 143 ILE QD1 4.06 (#peak 6456)
&rst
ixpk= 6456, nxpk= 0, iat=2113, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=2180,2181,2182,
&end
#
# 140 GLU HA 143 ILE QG1 4.34 (#peak 6457)
&rst
ixpk= 6457, nxpk= 0, iat=2113, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=2177,2178,
&end
#
# 140 GLU HA 144 ARG HN 6.15 (#peak 2777)
&rst
ixpk= 2777, nxpk= 0, iat=2113,2186, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 140 GLU HG2 143 ILE QD1 4.48 (#peak 7030)
&rst
ixpk= 7030, nxpk= 0, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2180,2181,2182,
&end
#
# 140 GLU HG3 143 ILE QD1 4.81 (#peak 7031)
&rst
ixpk= 7031, nxpk= 0, iat=2119, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=2180,2181,2182,
&end
#
# 141 TRP HN 142 MET HN 4.77 (#peak 2096)
&rst
ixpk= 2096, nxpk= 0, iat=2126,2150, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 141 TRP HA 141 TRP HD1 5.37 (#peak 6620)
&rst
ixpk= 6620, nxpk= 0, iat=2128,2134, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 141 TRP HA 141 TRP HE1 6.15 (#peak 2685)
&rst
ixpk= 2685, nxpk= 0, iat=2128,2136, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 141 TRP HA 144 ARG HN 5.49 (#peak 2778)
&rst
ixpk= 2778, nxpk= 0, iat=2128,2186, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 141 TRP HA 144 ARG HB2 3.71 (#peak 6850)
&rst
ixpk= 6850, nxpk= 0, iat=2128,2190, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 141 TRP HA 144 ARG HB3 4.07 (#peak 6849)
&rst
ixpk= 6849, nxpk= 0, iat=2128,2191, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 141 TRP HA 145 ASN HN 6.07 (#peak 2475)
&rst
ixpk= 2475, nxpk= 0, iat=2128,2210, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 141 TRP HD1 142 MET HN 5.78 (#peak 2871)
&rst
ixpk= 2871, nxpk= 0, iat=2134,2150, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 141 TRP QB 144 ARG HD2 4.66 (#peak 6529)
&rst
ixpk= 6529, nxpk= 0, iat= -1,2196, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=2130,2131,
&end
#
# 142 MET HN 142 MET QE 6.15 (#peak 2094)
&rst
ixpk= 2094, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2161,2162,2163,
&end
#
# 142 MET HN 143 ILE HN 5.51 (#peak 2093)
&rst
ixpk= 2093, nxpk= 0, iat=2150,2167, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 142 MET HN 147 LEU QD1 6.15 (#peak 2092)
&rst
ixpk= 2092, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2240,2241,2242,
&end
#
# 142 MET HA 142 MET QE 3.67 (#peak 313)
&rst
ixpk= 313, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2161,2162,2163,
&end
#
# 142 MET HA 145 ASN HN 6.15 (#peak 2779)
&rst
ixpk= 2779, nxpk= 0, iat=2152,2210, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 142 MET QB 142 MET QE 3.67 (#peak 831)
&rst
ixpk= 831, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2154,2155,
igr2=2161,2162,2163,
&end
#
# 142 MET QB 143 ILE HN 4.94 (#peak 1730)
&rst
ixpk= 1730, nxpk= 0, iat= -1,2167, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=2154,2155,
&end
#
# 142 MET QB 143 ILE QG1 4.36 (#peak 6466)
&rst
ixpk= 6466, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=2154,2155,
igr2=2177,2178,
&end
#
# 142 MET QB 147 LEU QD1 4.47 (#peak 6493)
&rst
ixpk= 6493, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=2154,2155,
igr2=2240,2241,2242,
&end
#
# 142 MET QB 149 ILE QD1 4.13 (#peak 6526)
&rst
ixpk= 6526, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=2154,2155,
igr2=2279,2280,2281,
&end
#
# 142 MET QB 169 LEU QD2 4.86 (#peak 6557)
&rst
ixpk= 6557, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=2154,2155,
igr2=2595,2596,2597,
&end
#
# 142 MET QE 147 LEU QD1 3.85 (#peak 6492)
&rst
ixpk= 6492, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=2161,2162,2163,
igr2=2240,2241,2242,
&end
#
# 142 MET QE 169 LEU HB3 3.25 (#peak 6914)
&rst
ixpk= 6914, nxpk= 0, iat= -1,2587, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1=2161,2162,2163,
&end
#
# 142 MET QE 169 LEU QD2 3.91 (#peak 6461)
&rst
ixpk= 6461, 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 3.81 (#peak 7119)
&rst
ixpk= 7119, nxpk= 0, iat= -1,2603, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2161,2162,2163,
&end
#
# 142 MET QE 171 ALA HN 5.59 (#peak 2253)
&rst
ixpk= 2253, nxpk= 0, iat= -1,2617, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=2161,2162,2163,
&end
#
# 142 MET QE 171 ALA HA 4.12 (#peak 7120)
&rst
ixpk= 7120, nxpk= 0, iat= -1,2619, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2161,2162,2163,
&end
#
# 142 MET QE 171 ALA QB 3.09 (#peak 6913)
&rst
ixpk= 6913, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=2161,2162,2163,
igr2=2621,2622,2623,
&end
#
# 143 ILE HN 143 ILE QD1 4.87 (#peak 1728)
&rst
ixpk= 1728, nxpk= 0, iat=2167, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=2180,2181,2182,
&end
#
# 143 ILE HN 143 ILE QG1 4.87 (#peak 1729)
&rst
ixpk= 1729, nxpk= 0, iat=2167, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=2177,2178,
&end
#
# 143 ILE HN 144 ARG HN 4.31 (#peak 1262)
&rst
ixpk= 1262, nxpk= 0, iat=2167,2186, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 143 ILE HA 143 ILE QD1 4.46 (#peak 5364)
&rst
ixpk= 5364, nxpk= 0, iat=2169, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=2180,2181,2182,
&end
#
# 143 ILE HA 143 ILE QG1 3.29 (#peak 6249)
&rst
ixpk= 6249, nxpk= 0, iat=2169, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=2177,2178,
&end
#
# 143 ILE HB 143 ILE QD1 3.22 (#peak 5361)
&rst
ixpk= 5361, nxpk= 0, iat=2171, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=2180,2181,2182,
&end
#
# 143 ILE HB 143 ILE QG1 2.90 (#peak 6247)
&rst
ixpk= 6247, nxpk= 0, iat=2171, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=2177,2178,
&end
#
# 143 ILE QD1 144 ARG HN 5.89 (#peak 1252)
&rst
ixpk= 1252, nxpk= 0, iat= -1,2186, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2180,2181,2182,
&end
#
# 143 ILE QG1 144 ARG HN 6.15 (#peak 2829)
&rst
ixpk= 2829, nxpk= 0, iat= -1,2186, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=2177,2178,
&end
#
# 144 ARG HN 144 ARG HG2 5.08 (#peak 1256)
&rst
ixpk= 1256, nxpk= 0, iat=2186,2193, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 144 ARG HN 144 ARG HG3 6.00 (#peak 1265)
&rst
ixpk= 1265, nxpk= 0, iat=2186,2194, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 144 ARG HN 145 ASN HN 4.38 (#peak 2472)
&rst
ixpk= 2472, nxpk= 0, iat=2186,2210, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 144 ARG HN 146 GLY HN 4.82 (#peak 1263)
&rst
ixpk= 1263, nxpk= 0, iat=2186,2224, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 144 ARG HA 144 ARG HD2 4.94 (#peak 4018)
&rst
ixpk= 4018, nxpk= 0, iat=2188,2196, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 144 ARG HA 144 ARG HD3 4.69 (#peak 247)
&rst
ixpk= 247, nxpk= 0, iat=2188,2197, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 144 ARG HA 144 ARG HG2 4.02 (#peak 235)
&rst
ixpk= 235, nxpk= 0, iat=2188,2193, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 144 ARG HA 144 ARG HG3 3.93 (#peak 4053)
&rst
ixpk= 4053, nxpk= 0, iat=2188,2194, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 144 ARG HB2 144 ARG HD2 3.83 (#peak 4021)
&rst
ixpk= 4021, nxpk= 0, iat=2190,2196, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 144 ARG HB2 144 ARG HD3 3.77 (#peak 5840)
&rst
ixpk= 5840, nxpk= 0, iat=2190,2197, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 144 ARG HB2 145 ASN HN 5.35 (#peak 2474)
&rst
ixpk= 2474, nxpk= 0, iat=2190,2210, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 144 ARG HB3 144 ARG HD2 4.04 (#peak 4020)
&rst
ixpk= 4020, nxpk= 0, iat=2191,2196, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 144 ARG HB3 144 ARG HD3 3.67 (#peak 5839)
&rst
ixpk= 5839, nxpk= 0, iat=2191,2197, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 144 ARG HB3 145 ASN HN 4.37 (#peak 2471)
&rst
ixpk= 2471, nxpk= 0, iat=2191,2210, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 144 ARG HB3 146 GLY HN 5.98 (#peak 2260)
&rst
ixpk= 2260, nxpk= 0, iat=2191,2224, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 145 ASN HN 146 GLY HN 3.53 (#peak 2267)
&rst
ixpk= 2267, nxpk= 0, iat=2210,2224, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 145 ASN HN 147 LEU HN 5.73 (#peak 2470)
&rst
ixpk= 2470, nxpk= 0, iat=2210,2231, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 145 ASN HN 147 LEU QD2 6.15 (#peak 2473)
&rst
ixpk= 2473, nxpk= 0, iat=2210, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2244,2245,2246,
&end
#
# 145 ASN HB2 147 LEU QD1 3.78 (#peak 7057)
&rst
ixpk= 7057, nxpk= 0, iat=2214, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=2240,2241,2242,
&end
#
# 145 ASN HB2 147 LEU QD2 4.13 (#peak 7058)
&rst
ixpk= 7058, nxpk= 0, iat=2214, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2244,2245,2246,
&end
#
# 145 ASN HB3 146 GLY HN 5.68 (#peak 2258)
&rst
ixpk= 2258, nxpk= 0, iat=2215,2224, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 145 ASN HB3 147 LEU HN 6.02 (#peak 1020)
&rst
ixpk= 1020, nxpk= 0, iat=2215,2231, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 145 ASN HB3 147 LEU QD1 4.22 (#peak 6494)
&rst
ixpk= 6494, nxpk= 0, iat=2215, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=2240,2241,2242,
&end
#
# 145 ASN HB3 147 LEU QD2 4.77 (#peak 2100)
&rst
ixpk= 2100, nxpk= 0, iat=2215, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=2244,2245,2246,
&end
#
# 145 ASN HD21 147 LEU QD2 3.61 (#peak 7044)
&rst
ixpk= 7044, nxpk= 0, iat=2219, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=2244,2245,2246,
&end
#
# 145 ASN HD22 147 LEU QD2 5.48 (#peak 7045)
&rst
ixpk= 7045, nxpk= 0, iat=2220, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=2244,2245,2246,
&end
#
# 146 GLY HN 146 GLY HA2 2.94 (#peak 2263)
&rst
ixpk= 2263, nxpk= 0, iat=2224,2226, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 146 GLY HN 147 LEU HN 4.08 (#peak 2259)
&rst
ixpk= 2259, nxpk= 0, iat=2224,2231, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 146 GLY HN 147 LEU HG 5.98 (#peak 2648)
&rst
ixpk= 2648, nxpk= 0, iat=2224,2238, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 146 GLY HN 147 LEU QB 6.06 (#peak 2261)
&rst
ixpk= 2261, nxpk= 0, iat=2224, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2=2235,2236,
&end
#
# 146 GLY HN 147 LEU QD1 5.94 (#peak 2266)
&rst
ixpk= 2266, nxpk= 0, iat=2224, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2=2240,2241,2242,
&end
#
# 146 GLY HA2 147 LEU HA 5.54 (#peak 1608)
&rst
ixpk= 1608, nxpk= 0, iat=2226,2233, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 147 LEU HN 147 LEU HG 4.51 (#peak 1015)
&rst
ixpk= 1015, nxpk= 0, iat=2231,2238, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 147 LEU HN 147 LEU QB 3.79 (#peak 1023)
&rst
ixpk= 1023, nxpk= 0, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=2235,2236,
&end
#
# 147 LEU HN 147 LEU QD1 4.89 (#peak 1028)
&rst
ixpk= 1028, nxpk= 0, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=2240,2241,2242,
&end
#
# 147 LEU HN 147 LEU QD2 5.30 (#peak 1026)
&rst
ixpk= 1026, nxpk= 0, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=2244,2245,2246,
&end
#
# 147 LEU HN 148 VAL HN 4.92 (#peak 465)
&rst
ixpk= 465, nxpk= 0, iat=2231,2250, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 147 LEU HA 147 LEU HG 3.69 (#peak 1603)
&rst
ixpk= 1603, nxpk= 0, iat=2233,2238, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 147 LEU HA 147 LEU QD1 4.02 (#peak 1614)
&rst
ixpk= 1614, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=2240,2241,2242,
&end
#
# 147 LEU HA 147 LEU QD2 3.97 (#peak 2102)
&rst
ixpk= 2102, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=2244,2245,2246,
&end
#
# 147 LEU HA 148 VAL QG2 5.26 (#peak 6519)
&rst
ixpk= 6519, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=2260,2261,2262,
&end
#
# 147 LEU HA 174 ASP QB 5.55 (#peak 6905)
&rst
ixpk= 6905, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=2659,2660,
&end
#
# 147 LEU HG 148 VAL HN 5.77 (#peak 457)
&rst
ixpk= 457, nxpk= 0, iat=2238,2250, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 147 LEU QB 147 LEU QD1 2.77 (#peak 5909)
&rst
ixpk= 5909, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1=2235,2236,
igr2=2240,2241,2242,
&end
#
# 147 LEU QB 147 LEU QD2 3.06 (#peak 2107)
&rst
ixpk= 2107, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=2235,2236,
igr2=2244,2245,2246,
&end
#
# 147 LEU QB 148 VAL HN 3.81 (#peak 466)
&rst
ixpk= 466, nxpk= 0, iat= -1,2250, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=2235,2236,
&end
#
# 147 LEU QD1 148 VAL HN 5.20 (#peak 469)
&rst
ixpk= 469, nxpk= 0, iat= -1,2250, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=2240,2241,2242,
&end
#
# 147 LEU QD1 171 ALA HA 5.37 (#peak 7067)
&rst
ixpk= 7067, nxpk= 0, iat= -1,2619, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=2240,2241,2242,
&end
#
# 147 LEU QD1 172 VAL HN 4.19 (#peak 7042)
&rst
ixpk= 7042, nxpk= 0, iat= -1,2627, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=2240,2241,2242,
&end
#
# 147 LEU QD1 174 ASP HN 5.89 (#peak 2688)
&rst
ixpk= 2688, nxpk= 0, iat= -1,2655, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2240,2241,2242,
&end
#
# 147 LEU QD1 174 ASP HA 4.04 (#peak 6496)
&rst
ixpk= 6496, nxpk= 0, iat= -1,2657, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=2240,2241,2242,
&end
#
# 147 LEU QD1 174 ASP QB 5.20 (#peak 6552)
&rst
ixpk= 6552, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=2240,2241,2242,
igr2=2659,2660,
&end
#
# 147 LEU QD1 176 LEU HN 3.61 (#peak 7041)
&rst
ixpk= 7041, nxpk= 0, iat= -1,2682, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=2240,2241,2242,
&end
#
# 147 LEU QD1 176 LEU QD1 4.31 (#peak 6762)
&rst
ixpk= 6762, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2240,2241,2242,
igr2=2691,2692,2693,
&end
#
# 147 LEU QD2 172 VAL HN 4.43 (#peak 7048)
&rst
ixpk= 7048, nxpk= 0, iat= -1,2627, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=2244,2245,2246,
&end
#
# 147 LEU QD2 174 ASP HA 3.31 (#peak 2108)
&rst
ixpk= 2108, nxpk= 0, iat= -1,2657, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=2244,2245,2246,
&end
#
# 147 LEU QD2 174 ASP QB 4.14 (#peak 2104)
&rst
ixpk= 2104, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=2244,2245,2246,
igr2=2659,2660,
&end
#
# 147 LEU QD2 175 GLU HN 5.39 (#peak 1751)
&rst
ixpk= 1751, nxpk= 0, iat= -1,2667, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2244,2245,2246,
&end
#
# 147 LEU QD2 175 GLU HA 4.11 (#peak 6562)
&rst
ixpk= 6562, nxpk= 0, iat= -1,2669, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2244,2245,2246,
&end
#
# 147 LEU QD2 176 LEU HN 3.31 (#peak 7047)
&rst
ixpk= 7047, nxpk= 0, iat= -1,2682, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=2244,2245,2246,
&end
#
# 148 VAL HN 148 VAL HB 4.15 (#peak 458)
&rst
ixpk= 458, nxpk= 0, iat=2250,2254, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 148 VAL HN 148 VAL QG1 4.54 (#peak 463)
&rst
ixpk= 463, nxpk= 0, iat=2250, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=2256,2257,2258,
&end
#
# 148 VAL HN 148 VAL QG2 4.53 (#peak 464)
&rst
ixpk= 464, nxpk= 0, iat=2250, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2260,2261,2262,
&end
#
# 148 VAL HN 149 ILE HN 4.81 (#peak 462)
&rst
ixpk= 462, nxpk= 0, iat=2250,2266, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 148 VAL HA 148 VAL QG1 3.91 (#peak 5656)
&rst
ixpk= 5656, nxpk= 0, iat=2252, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=2256,2257,2258,
&end
#
# 148 VAL HA 148 VAL QG2 3.38 (#peak 5654)
&rst
ixpk= 5654, nxpk= 0, iat=2252, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=2260,2261,2262,
&end
#
# 148 VAL QG1 150 ASN HA 5.02 (#peak 6515)
&rst
ixpk= 6515, nxpk= 0, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=2256,2257,2258,
&end
#
# 149 ILE HN 149 ILE HB 3.85 (#peak 720)
&rst
ixpk= 720, nxpk= 0, iat=2266,2270, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 149 ILE HN 149 ILE HG12 5.35 (#peak 714)
&rst
ixpk= 714, nxpk= 0, iat=2266,2276, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 149 ILE HN 149 ILE HG13 5.09 (#peak 719)
&rst
ixpk= 719, nxpk= 0, iat=2266,2277, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 149 ILE HN 149 ILE QD1 4.91 (#peak 721)
&rst
ixpk= 721, nxpk= 0, iat=2266, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2279,2280,2281,
&end
#
# 149 ILE HN 149 ILE QG2 4.57 (#peak 711)
&rst
ixpk= 711, nxpk= 0, iat=2266, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2272,2273,2274,
&end
#
# 149 ILE HN 150 ASN HN 4.78 (#peak 1297)
&rst
ixpk= 1297, nxpk= 0, iat=2266,2285, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 149 ILE HA 149 ILE HG12 3.32 (#peak 2361)
&rst
ixpk= 2361, nxpk= 0, iat=2268,2276, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 149 ILE HA 149 ILE HG13 3.79 (#peak 2643)
&rst
ixpk= 2643, nxpk= 0, iat=2268,2277, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 149 ILE HA 149 ILE QD1 3.87 (#peak 6159)
&rst
ixpk= 6159, nxpk= 0, iat=2268, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2279,2280,2281,
&end
#
# 149 ILE HA 149 ILE QG2 3.50 (#peak 63)
&rst
ixpk= 63, nxpk= 0, iat=2268, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2272,2273,2274,
&end
#
# 149 ILE HA 150 ASN HA 5.34 (#peak 4378)
&rst
ixpk= 4378, nxpk= 0, iat=2268,2287, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 149 ILE HA 176 LEU QD1 3.48 (#peak 7073)
&rst
ixpk= 7073, nxpk= 0, iat=2268, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=2691,2692,2693,
&end
#
# 149 ILE HB 149 ILE QD1 3.30 (#peak 6162)
&rst
ixpk= 6162, nxpk= 0, iat=2270, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=2279,2280,2281,
&end
#
# 149 ILE HB 150 ASN HN 5.08 (#peak 1307)
&rst
ixpk= 1307, nxpk= 0, iat=2270,2285, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 149 ILE HG12 150 ASN HN 6.15 (#peak 1299)
&rst
ixpk= 1299, nxpk= 0, iat=2276,2285, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 149 ILE HG13 150 ASN HN 5.86 (#peak 1303)
&rst
ixpk= 1303, nxpk= 0, iat=2277,2285, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 149 ILE HG13 150 ASN HD21 5.80 (#peak 2836)
&rst
ixpk= 2836, nxpk= 0, iat=2277,2294, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 149 ILE HG13 150 ASN HD22 5.97 (#peak 2837)
&rst
ixpk= 2837, nxpk= 0, iat=2277,2295, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 149 ILE QD1 150 ASN HN 5.63 (#peak 1308)
&rst
ixpk= 1308, nxpk= 0, iat= -1,2285, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=2279,2280,2281,
&end
#
# 149 ILE QD1 157 MET QE 3.95 (#peak 6474)
&rst
ixpk= 6474, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=2279,2280,2281,
igr2=2398,2399,2400,
&end
#
# 149 ILE QD1 169 LEU QD1 3.16 (#peak 6904)
&rst
ixpk= 6904, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=2279,2280,2281,
igr2=2591,2592,2593,
&end
#
# 149 ILE QG2 149 ILE HG12 3.49 (#peak 2532)
&rst
ixpk= 2532, nxpk= 0, iat= -1,2276, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=2272,2273,2274,
&end
#
# 149 ILE QG2 149 ILE HG13 3.18 (#peak 2640)
&rst
ixpk= 2640, nxpk= 0, iat= -1,2277, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=2272,2273,2274,
&end
#
# 149 ILE QG2 149 ILE QD1 2.56 (#peak 70)
&rst
ixpk= 70, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1=2272,2273,2274,
igr2=2279,2280,2281,
&end
#
# 149 ILE QG2 150 ASN HN 4.99 (#peak 1294)
&rst
ixpk= 1294, nxpk= 0, iat= -1,2285, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2272,2273,2274,
&end
#
# 149 ILE QG2 154 ASN HD21 6.15 (#peak 2701)
&rst
ixpk= 2701, nxpk= 0, iat= -1,2350, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=2272,2273,2274,
&end
#
# 150 ASN HN 150 ASN HD22 6.15 (#peak 1300)
&rst
ixpk= 1300, nxpk= 0, iat=2285,2295, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 150 ASN HN 153 VAL HB 5.42 (#peak 2651)
&rst
ixpk= 2651, nxpk= 0, iat=2285,2329, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 150 ASN HN 176 LEU QD1 4.93 (#peak 2891)
&rst
ixpk= 2891, nxpk= 0, iat=2285, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=2691,2692,2693,
&end
#
# 150 ASN HA 150 ASN HD21 4.39 (#peak 4382)
&rst
ixpk= 4382, nxpk= 0, iat=2287,2294, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 150 ASN HA 150 ASN HD22 4.85 (#peak 4376)
&rst
ixpk= 4376, nxpk= 0, iat=2287,2295, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 150 ASN HB2 150 ASN HD21 3.97 (#peak 1626)
&rst
ixpk= 1626, nxpk= 0, iat=2289,2294, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 150 ASN HB2 151 ASN HN 5.10 (#peak 725)
&rst
ixpk= 725, nxpk= 0, iat=2289,2299, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 150 ASN HB2 153 VAL QG1 5.50 (#peak 5416)
&rst
ixpk= 5416, nxpk= 0, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2331,2332,2333,
&end
#
# 150 ASN HB3 150 ASN HD21 4.03 (#peak 4395)
&rst
ixpk= 4395, nxpk= 0, iat=2290,2294, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 150 ASN HB3 150 ASN HD22 4.05 (#peak 4389)
&rst
ixpk= 4389, nxpk= 0, iat=2290,2295, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 150 ASN HD22 176 LEU QD1 4.42 (#peak 7078)
&rst
ixpk= 7078, nxpk= 0, iat=2295, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=2691,2692,2693,
&end
#
# 151 ASN HN 151 ASN HB2 3.86 (#peak 732)
&rst
ixpk= 732, nxpk= 0, iat=2299,2303, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 151 ASN HN 151 ASN HB3 4.15 (#peak 724)
&rst
ixpk= 724, nxpk= 0, iat=2299,2304, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 151 ASN HN 152 ASP HN 4.52 (#peak 303)
&rst
ixpk= 303, nxpk= 0, iat=2299,2313, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 151 ASN HA 151 ASN HD22 5.48 (#peak 2284)
&rst
ixpk= 2284, nxpk= 0, iat=2301,2309, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 151 ASN HA 153 VAL HN 4.96 (#peak 109)
&rst
ixpk= 109, nxpk= 0, iat=2301,2325, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 151 ASN HA 153 VAL QG1 5.28 (#peak 6716)
&rst
ixpk= 6716, nxpk= 0, iat=2301, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=2331,2332,2333,
&end
#
# 151 ASN HB2 151 ASN HD21 3.57 (#peak 5025)
&rst
ixpk= 5025, nxpk= 0, iat=2303,2308, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 151 ASN HB3 151 ASN HD21 3.70 (#peak 1547)
&rst
ixpk= 1547, nxpk= 0, iat=2304,2308, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 151 ASN HB3 151 ASN HD22 3.94 (#peak 1550)
&rst
ixpk= 1550, nxpk= 0, iat=2304,2309, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 152 ASP HN 152 ASP HB2 3.59 (#peak 299)
&rst
ixpk= 299, nxpk= 0, iat=2313,2317, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 152 ASP HN 152 ASP HB3 3.59 (#peak 306)
&rst
ixpk= 306, nxpk= 0, iat=2313,2318, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 152 ASP HN 153 VAL HN 3.24 (#peak 107)
&rst
ixpk= 107, nxpk= 0, iat=2313,2325, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 152 ASP HN 153 VAL HA 5.36 (#peak 312)
&rst
ixpk= 312, nxpk= 0, iat=2313,2327, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 152 ASP HN 153 VAL QG1 4.75 (#peak 300)
&rst
ixpk= 300, nxpk= 0, iat=2313, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=2331,2332,2333,
&end
#
# 152 ASP HA 155 ASP HN 5.12 (#peak 1563)
&rst
ixpk= 1563, nxpk= 0, iat=2315,2355, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 152 ASP HA 155 ASP HB2 4.24 (#peak 943)
&rst
ixpk= 943, nxpk= 0, iat=2315,2359, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 152 ASP HA 155 ASP HB3 3.38 (#peak 5090)
&rst
ixpk= 5090, nxpk= 0, iat=2315,2360, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 152 ASP HB2 153 VAL HN 4.14 (#peak 105)
&rst
ixpk= 105, nxpk= 0, iat=2317,2325, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 152 ASP HB2 153 VAL QG1 4.43 (#peak 5197)
&rst
ixpk= 5197, nxpk= 0, iat=2317, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2331,2332,2333,
&end
#
# 152 ASP HB3 153 VAL HN 4.34 (#peak 110)
&rst
ixpk= 110, nxpk= 0, iat=2318,2325, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 153 VAL HN 153 VAL HB 4.20 (#peak 113)
&rst
ixpk= 113, nxpk= 0, iat=2325,2329, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 153 VAL HN 153 VAL QG1 4.06 (#peak 106)
&rst
ixpk= 106, nxpk= 0, iat=2325, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=2331,2332,2333,
&end
#
# 153 VAL HN 153 VAL QG2 4.13 (#peak 108)
&rst
ixpk= 108, nxpk= 0, iat=2325, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2335,2336,2337,
&end
#
# 153 VAL HN 154 ASN HN 2.95 (#peak 111)
&rst
ixpk= 111, nxpk= 0, iat=2325,2341, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 153 VAL HN 155 ASP HN 4.63 (#peak 112)
&rst
ixpk= 112, nxpk= 0, iat=2325,2355, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 153 VAL HA 153 VAL QG1 3.24 (#peak 3265)
&rst
ixpk= 3265, nxpk= 0, iat=2327, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=2331,2332,2333,
&end
#
# 153 VAL HA 153 VAL QG2 3.12 (#peak 3257)
&rst
ixpk= 3257, nxpk= 0, iat=2327, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=2335,2336,2337,
&end
#
# 153 VAL HA 155 ASP HN 5.77 (#peak 1564)
&rst
ixpk= 1564, nxpk= 0, iat=2327,2355, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 153 VAL HA 156 PHE HN 5.33 (#peak 614)
&rst
ixpk= 614, nxpk= 0, iat=2327,2367, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 153 VAL HA 156 PHE QB 4.16 (#peak 3596)
&rst
ixpk= 3596, nxpk= 0, iat=2327, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=2371,2372,
&end
#
# 153 VAL HA 156 PHE QD 3.89 (#peak 6902)
&rst
ixpk= 6902, nxpk= 0, iat=2327, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=2375,2383,
&end
#
# 153 VAL HB 154 ASN HN 4.95 (#peak 1469)
&rst
ixpk= 1469, nxpk= 0, iat=2329,2341, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 153 VAL QG1 154 ASN HN 4.11 (#peak 1461)
&rst
ixpk= 1461, nxpk= 0, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2331,2332,2333,
&end
#
# 153 VAL QG1 154 ASN HA 4.09 (#peak 5421)
&rst
ixpk= 5421, nxpk= 0, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=2331,2332,2333,
&end
#
# 153 VAL QG1 156 PHE QB 5.75 (#peak 6840)
&rst
ixpk= 6840, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1=2331,2332,2333,
igr2=2371,2372,
&end
#
# 153 VAL QG1 156 PHE QD 5.90 (#peak 9168)
&rst
ixpk= 9168, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr1=2331,2332,2333,
igr2=2375,2383,
&end
#
# 153 VAL QG2 154 ASN HN 4.08 (#peak 1465)
&rst
ixpk= 1465, nxpk= 0, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=2335,2336,2337,
&end
#
# 153 VAL QG2 154 ASN HA 4.11 (#peak 4155)
&rst
ixpk= 4155, nxpk= 0, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2335,2336,2337,
&end
#
# 153 VAL QG2 156 PHE QB 4.98 (#peak 6841)
&rst
ixpk= 6841, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=2335,2336,2337,
igr2=2371,2372,
&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 QG 4.42 (#peak 4946)
&rst
ixpk= 4946, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=2335,2336,2337,
igr2=2394,2395,
&end
#
# 154 ASN HN 154 ASN HB2 4.02 (#peak 1470)
&rst
ixpk= 1470, nxpk= 0, iat=2341,2345, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 154 ASN HN 154 ASN HB3 3.93 (#peak 1462)
&rst
ixpk= 1462, nxpk= 0, iat=2341,2346, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 154 ASN HN 154 ASN HD21 6.15 (#peak 931)
&rst
ixpk= 931, nxpk= 0, iat=2341,2350, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 154 ASN HN 154 ASN HD22 5.39 (#peak 1473)
&rst
ixpk= 1473, nxpk= 0, iat=2341,2351, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 154 ASN HN 155 ASP HN 3.74 (#peak 1468)
&rst
ixpk= 1468, nxpk= 0, iat=2341,2355, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 154 ASN HA 154 ASN HB2 3.02 (#peak 4162)
&rst
ixpk= 4162, nxpk= 0, iat=2343,2345, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 154 ASN HA 154 ASN HB3 2.97 (#peak 4157)
&rst
ixpk= 4157, nxpk= 0, iat=2343,2346, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 154 ASN HA 154 ASN HD21 4.64 (#peak 934)
&rst
ixpk= 934, nxpk= 0, iat=2343,2350, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 154 ASN HA 154 ASN HD22 5.21 (#peak 2422)
&rst
ixpk= 2422, nxpk= 0, iat=2343,2351, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 154 ASN HA 156 PHE HN 5.58 (#peak 618)
&rst
ixpk= 618, nxpk= 0, iat=2343,2367, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 154 ASN HA 157 MET HB2 3.43 (#peak 4167)
&rst
ixpk= 4167, nxpk= 0, iat=2343,2391, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 154 ASN HA 157 MET HB3 3.71 (#peak 4166)
&rst
ixpk= 4166, nxpk= 0, iat=2343,2392, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 154 ASN HA 157 MET QE 4.82 (#peak 6500)
&rst
ixpk= 6500, nxpk= 0, iat=2343, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=2398,2399,2400,
&end
#
# 154 ASN HA 158 THR HN 4.16 (#peak 6926)
&rst
ixpk= 6926, nxpk= 0, iat=2343,2404, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 154 ASN HB2 154 ASN HD21 3.76 (#peak 933)
&rst
ixpk= 933, nxpk= 0, iat=2345,2350, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 154 ASN HD21 155 ASP HN 6.14 (#peak 1559)
&rst
ixpk= 1559, nxpk= 0, iat=2350,2355, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 154 ASN HD21 158 THR QG2 5.46 (#peak 2687)
&rst
ixpk= 2687, nxpk= 0, iat=2350, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=2410,2411,2412,
&end
#
# 155 ASP HN 151 ASN O 2.4
&rst
ixpk= 2687, nxpk= 0, iat=2355,2311, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 155 ASP HN 155 ASP HB2 3.99 (#peak 1556)
&rst
ixpk= 1556, nxpk= 0, iat=2355,2359, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 155 ASP HN 156 PHE HN 3.69 (#peak 612)
&rst
ixpk= 612, nxpk= 0, iat=2355,2367, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 155 ASP HN 156 PHE QB 4.96 (#peak 2652)
&rst
ixpk= 2652, nxpk= 0, iat=2355, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2371,2372,
&end
#
# 155 ASP HN 158 THR QG2 5.78 (#peak 1562)
&rst
ixpk= 1562, nxpk= 0, iat=2355, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2=2410,2411,2412,
&end
#
# 155 ASP HB2 156 PHE HN 4.23 (#peak 608)
&rst
ixpk= 608, nxpk= 0, iat=2359,2367, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 155 ASP HB3 156 PHE HN 3.95 (#peak 616)
&rst
ixpk= 616, nxpk= 0, iat=2360,2367, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 155 ASP N 151 ASN O 3.3
&rst
ixpk= 616, nxpk= 0, iat=2354,2311, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 156 PHE HN 156 PHE QB 3.21 (#peak 617)
&rst
ixpk= 617, nxpk= 0, iat=2367, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2371,2372,
&end
#
# 156 PHE HN 157 MET HN 3.29 (#peak 615)
&rst
ixpk= 615, nxpk= 0, iat=2367,2387, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 156 PHE HN 157 MET HA 5.38 (#peak 613)
&rst
ixpk= 613, nxpk= 0, iat=2367,2389, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &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 159 GLU HN 4.63 (#peak 786)
&rst
ixpk= 786, nxpk= 0, iat=2369,2418, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 156 PHE HA 159 GLU HB2 3.86 (#peak 187)
&rst
ixpk= 187, nxpk= 0, iat=2369,2422, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 156 PHE HA 159 GLU HB3 3.97 (#peak 189)
&rst
ixpk= 189, nxpk= 0, iat=2369,2423, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 156 PHE HA 159 GLU HG2 3.80 (#peak 6592)
&rst
ixpk= 6592, nxpk= 0, iat=2369,2425, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 156 PHE HA 160 HIS HN 4.95 (#peak 2299)
&rst
ixpk= 2299, nxpk= 0, iat=2369,2433, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 156 PHE QB 157 MET HN 5.51 (#peak 2622)
&rst
ixpk= 2622, nxpk= 0, iat= -1,2387, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=2371,2372,
&end
#
# 156 PHE QB 157 MET QE 4.99 (#peak 6475)
&rst
ixpk= 6475, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2371,2372,
igr2=2398,2399,2400,
&end
#
# 156 PHE QB 158 THR HN 6.15 (#peak 31)
&rst
ixpk= 31, nxpk= 0, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=2371,2372,
&end
#
# 156 PHE QB 179 LEU QD1 3.76 (#peak 6567)
&rst
ixpk= 6567, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=2371,2372,
igr2=2728,2729,2730,
&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 3.34 (#peak 6925)
&rst
ixpk= 6925, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
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 HB2 3.91 (#peak 2081)
&rst
ixpk= 2081, nxpk= 0, iat=2387,2391, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 157 MET HN 157 MET HB3 4.04 (#peak 2080)
&rst
ixpk= 2080, nxpk= 0, iat=2387,2392, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 157 MET HN 157 MET QE 4.41 (#peak 2082)
&rst
ixpk= 2082, nxpk= 0, iat=2387, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2398,2399,2400,
&end
#
# 157 MET HN 157 MET QG 5.47 (#peak 2089)
&rst
ixpk= 2089, nxpk= 0, iat=2387, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=2394,2395,
&end
#
# 157 MET HN 158 THR HN 3.21 (#peak 30)
&rst
ixpk= 30, nxpk= 0, iat=2387,2404, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 157 MET HN 158 THR QG2 6.15 (#peak 2623)
&rst
ixpk= 2623, nxpk= 0, iat=2387, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2410,2411,2412,
&end
#
# 157 MET HN 159 GLU HN 4.24 (#peak 794)
&rst
ixpk= 794, nxpk= 0, iat=2387,2418, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 157 MET HN 159 GLU HB3 6.15 (#peak 2624)
&rst
ixpk= 2624, nxpk= 0, iat=2387,2423, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 157 MET HA 157 MET QE 3.16 (#peak 2930)
&rst
ixpk= 2930, nxpk= 0, iat=2389, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=2398,2399,2400,
&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 HA 167 ALA QB 4.22 (#peak 6587)
&rst
ixpk= 6587, nxpk= 0, iat=2389, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=2560,2561,2562,
&end
#
# 157 MET HB2 157 MET QE 3.69 (#peak 5704)
&rst
ixpk= 5704, nxpk= 0, iat=2391, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=2398,2399,2400,
&end
#
# 157 MET HB2 158 THR HN 4.14 (#peak 21)
&rst
ixpk= 21, nxpk= 0, iat=2391,2404, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 157 MET HB2 179 LEU QD1 3.86 (#peak 6718)
&rst
ixpk= 6718, nxpk= 0, iat=2391, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=2728,2729,2730,
&end
#
# 157 MET HB3 157 MET QE 4.41 (#peak 5678)
&rst
ixpk= 5678, nxpk= 0, iat=2392, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2398,2399,2400,
&end
#
# 157 MET HB3 158 THR HN 4.22 (#peak 20)
&rst
ixpk= 20, nxpk= 0, iat=2392,2404, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 157 MET HB3 158 THR QG2 4.33 (#peak 2922)
&rst
ixpk= 2922, nxpk= 0, iat=2392, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2410,2411,2412,
&end
#
# 157 MET QE 158 THR HN 5.68 (#peak 23)
&rst
ixpk= 23, nxpk= 0, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=2398,2399,2400,
&end
#
# 157 MET QE 167 ALA QB 3.91 (#peak 5560)
&rst
ixpk= 5560, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=2398,2399,2400,
igr2=2560,2561,2562,
&end
#
# 157 MET QE 169 LEU HB2 4.26 (#peak 5564)
&rst
ixpk= 5564, nxpk= 0, iat= -1,2586, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=2398,2399,2400,
&end
#
# 157 MET QE 169 LEU HB3 4.42 (#peak 5563)
&rst
ixpk= 5563, nxpk= 0, iat= -1,2587, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=2398,2399,2400,
&end
#
# 157 MET QE 169 LEU HG 3.42 (#peak 4762)
&rst
ixpk= 4762, nxpk= 0, iat= -1,2589, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=2398,2399,2400,
&end
#
# 157 MET QE 169 LEU QD1 4.01 (#peak 5557)
&rst
ixpk= 5557, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=2398,2399,2400,
igr2=2591,2592,2593,
&end
#
# 157 MET QE 169 LEU QD2 3.09 (#peak 3714)
&rst
ixpk= 3714, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=2398,2399,2400,
igr2=2595,2596,2597,
&end
#
# 157 MET QE 179 LEU QD1 3.87 (#peak 6827)
&rst
ixpk= 6827, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=2398,2399,2400,
igr2=2728,2729,2730,
&end
#
# 157 MET QG 157 MET QE 3.79 (#peak 4954)
&rst
ixpk= 4954, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=2394,2395,
igr2=2398,2399,2400,
&end
#
# 157 MET QG 158 THR HN 4.59 (#peak 33)
&rst
ixpk= 33, nxpk= 0, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=2394,2395,
&end
#
# 157 MET QG 167 ALA QB 4.06 (#peak 6513)
&rst
ixpk= 6513, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=2394,2395,
igr2=2560,2561,2562,
&end
#
# 158 THR HN 154 ASN O 2.4
&rst
ixpk= 6513, nxpk= 0, iat=2404,2353, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 158 THR HN 158 THR HB 3.26 (#peak 34)
&rst
ixpk= 34, nxpk= 0, iat=2404,2408, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 158 THR HN 158 THR QG2 4.40 (#peak 27)
&rst
ixpk= 27, nxpk= 0, iat=2404, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2410,2411,2412,
&end
#
# 158 THR HN 159 GLU HN 3.19 (#peak 25)
&rst
ixpk= 25, nxpk= 0, iat=2404,2418, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 158 THR HN 159 GLU HB3 6.15 (#peak 29)
&rst
ixpk= 29, nxpk= 0, iat=2404,2423, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 158 THR HN 160 HIS HN 6.15 (#peak 32)
&rst
ixpk= 32, nxpk= 0, iat=2404,2433, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 158 THR HA 158 THR QG2 3.50 (#peak 1142)
&rst
ixpk= 1142, nxpk= 0, iat=2406, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2410,2411,2412,
&end
#
# 158 THR HA 161 GLU HB2 3.82 (#peak 1143)
&rst
ixpk= 1143, nxpk= 0, iat=2406,2454, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 158 THR HA 161 GLU HB3 3.82 (#peak 1136)
&rst
ixpk= 1136, nxpk= 0, iat=2406,2455, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 158 THR HA 161 GLU HG2 4.83 (#peak 2873)
&rst
ixpk= 2873, nxpk= 0, iat=2406,2457, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 158 THR HA 161 GLU HG3 4.34 (#peak 7134)
&rst
ixpk= 7134, nxpk= 0, iat=2406,2458, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 158 THR HB 159 GLU HN 4.15 (#peak 796)
&rst
ixpk= 796, nxpk= 0, iat=2408,2418, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 158 THR N 154 ASN O 3.3
&rst
ixpk= 796, nxpk= 0, iat=2403,2353, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 158 THR QG2 159 GLU HN 4.89 (#peak 791)
&rst
ixpk= 791, nxpk= 0, iat= -1,2418, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=2410,2411,2412,
&end
#
# 158 THR QG2 159 GLU HA 4.17 (#peak 6719)
&rst
ixpk= 6719, nxpk= 0, iat= -1,2420, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=2410,2411,2412,
&end
#
# 158 THR QG2 159 GLU HB2 3.58 (#peak 2917)
&rst
ixpk= 2917, nxpk= 0, iat= -1,2422, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=2410,2411,2412,
&end
#
# 158 THR QG2 159 GLU HB3 4.09 (#peak 2919)
&rst
ixpk= 2919, nxpk= 0, iat= -1,2423, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=2410,2411,2412,
&end
#
# 158 THR QG2 160 HIS HN 5.21 (#peak 2306)
&rst
ixpk= 2306, nxpk= 0, iat= -1,2433, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=2410,2411,2412,
&end
#
# 158 THR QG2 162 ARG QD 3.86 (#peak 6527)
&rst
ixpk= 6527, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=2410,2411,2412,
igr2=2475,2476,
&end
#
# 159 GLU HN 159 GLU HB2 3.74 (#peak 790)
&rst
ixpk= 790, nxpk= 0, iat=2418,2422, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 159 GLU HN 159 GLU HB3 3.86 (#peak 793)
&rst
ixpk= 793, nxpk= 0, iat=2418,2423, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 159 GLU HN 159 GLU HG2 5.31 (#peak 792)
&rst
ixpk= 792, nxpk= 0, iat=2418,2425, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 159 GLU HN 159 GLU HG3 4.92 (#peak 782)
&rst
ixpk= 782, nxpk= 0, iat=2418,2426, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 159 GLU HN 160 HIS HN 3.92 (#peak 2301)
&rst
ixpk= 2301, nxpk= 0, iat=2418,2433, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 159 GLU HN 161 GLU HN 4.74 (#peak 787)
&rst
ixpk= 787, nxpk= 0, iat=2418,2450, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 159 GLU HN 162 ARG QD 5.30 (#peak 784)
&rst
ixpk= 784, nxpk= 0, iat=2418, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=2475,2476,
&end
#
# 159 GLU HA 159 GLU HB2 3.02 (#peak 1796)
&rst
ixpk= 1796, nxpk= 0, iat=2420,2422, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 159 GLU HA 159 GLU HB3 3.00 (#peak 1798)
&rst
ixpk= 1798, nxpk= 0, iat=2420,2423, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 159 GLU HA 159 GLU HG2 3.73 (#peak 4585)
&rst
ixpk= 4585, nxpk= 0, iat=2420,2425, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 159 GLU HA 159 GLU HG3 3.78 (#peak 1794)
&rst
ixpk= 1794, nxpk= 0, iat=2420,2426, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 159 GLU HA 162 ARG HN 4.11 (#peak 2429)
&rst
ixpk= 2429, nxpk= 0, iat=2420,2465, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 159 GLU HA 162 ARG QB 3.58 (#peak 906)
&rst
ixpk= 906, nxpk= 0, iat=2420, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=2469,2470,
&end
#
# 159 GLU HA 162 ARG QD 4.06 (#peak 5487)
&rst
ixpk= 5487, nxpk= 0, iat=2420, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=2475,2476,
&end
#
# 159 GLU HB2 159 GLU HG2 2.95 (#peak 4586)
&rst
ixpk= 4586, nxpk= 0, iat=2422,2425, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 159 GLU HB2 160 HIS HN 3.85 (#peak 2305)
&rst
ixpk= 2305, nxpk= 0, iat=2422,2433, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 159 GLU HB3 160 HIS HN 3.93 (#peak 2308)
&rst
ixpk= 2308, nxpk= 0, iat=2423,2433, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 159 GLU HG3 160 HIS HN 5.55 (#peak 2297)
&rst
ixpk= 2297, nxpk= 0, iat=2426,2433, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 160 HIS HN 160 HIS HB2 3.61 (#peak 2312)
&rst
ixpk= 2312, nxpk= 0, iat=2433,2437, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 160 HIS HN 160 HIS HB3 3.97 (#peak 2302)
&rst
ixpk= 2302, nxpk= 0, iat=2433,2438, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 160 HIS HN 160 HIS HD2 4.89 (#peak 2313)
&rst
ixpk= 2313, nxpk= 0, iat=2433,2446, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 160 HIS HN 161 GLU HN 3.69 (#peak 2300)
&rst
ixpk= 2300, nxpk= 0, iat=2433,2450, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 160 HIS HN 161 GLU HB2 5.68 (#peak 2304)
&rst
ixpk= 2304, nxpk= 0, iat=2433,2454, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 160 HIS HA 160 HIS HD2 5.50 (#peak 1401)
&rst
ixpk= 1401, nxpk= 0, iat=2435,2446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 160 HIS HA 163 LYS HD2 3.66 (#peak 6901)
&rst
ixpk= 6901, nxpk= 0, iat=2435,2499, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 160 HIS HA 163 LYS HD3 4.18 (#peak 6900)
&rst
ixpk= 6900, nxpk= 0, iat=2435,2500, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 160 HIS HA 163 LYS QE 4.04 (#peak 6924)
&rst
ixpk= 6924, nxpk= 0, iat=2435, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=2502,2503,
&end
#
# 160 HIS HB3 161 GLU HN 6.15 (#peak 698)
&rst
ixpk= 698, nxpk= 0, iat=2438,2450, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &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 4.50 (#peak 702)
&rst
ixpk= 702, nxpk= 0, iat=2450,2457, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 161 GLU HN 161 GLU HG3 5.87 (#peak 694)
&rst
ixpk= 694, nxpk= 0, iat=2450,2458, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 161 GLU HN 162 ARG HN 4.05 (#peak 2430)
&rst
ixpk= 2430, nxpk= 0, iat=2450,2465, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 161 GLU HN 163 LYS HN 5.65 (#peak 4)
&rst
ixpk= 4, nxpk= 0, iat=2450,2489, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 161 GLU HN 167 ALA QB 6.15 (#peak 2625)
&rst
ixpk= 2625, nxpk= 0, iat=2450, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2560,2561,2562,
&end
#
# 161 GLU HA 161 GLU HG2 4.06 (#peak 2874)
&rst
ixpk= 2874, nxpk= 0, iat=2452,2457, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 161 GLU HA 161 GLU HG3 3.63 (#peak 5665)
&rst
ixpk= 5665, nxpk= 0, iat=2452,2458, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 161 GLU HA 163 LYS HN 5.53 (#peak 2906)
&rst
ixpk= 2906, nxpk= 0, iat=2452,2489, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 161 GLU HB2 161 GLU HG3 2.62 (#peak 5668)
&rst
ixpk= 5668, nxpk= 0, iat=2454,2458, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 161 GLU HB2 162 ARG HN 4.24 (#peak 2431)
&rst
ixpk= 2431, nxpk= 0, iat=2454,2465, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 161 GLU HB3 167 ALA HN 6.15 (#peak 1108)
&rst
ixpk= 1108, nxpk= 0, iat=2455,2556, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 161 GLU HB3 167 ALA QB 4.29 (#peak 3185)
&rst
ixpk= 3185, nxpk= 0, iat=2455, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2560,2561,2562,
&end
#
# 161 GLU HG2 167 ALA HN 6.15 (#peak 2627)
&rst
ixpk= 2627, nxpk= 0, iat=2457,2556, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 161 GLU HG2 167 ALA QB 4.40 (#peak 3189)
&rst
ixpk= 3189, nxpk= 0, iat=2457, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2560,2561,2562,
&end
#
# 161 GLU HG3 167 ALA HN 6.15 (#peak 2628)
&rst
ixpk= 2628, nxpk= 0, iat=2458,2556, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 161 GLU HG3 167 ALA QB 4.28 (#peak 5667)
&rst
ixpk= 5667, nxpk= 0, iat=2458, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2560,2561,2562,
&end
#
# 162 ARG HN 158 THR O 2.4
&rst
ixpk= 5667, nxpk= 0, iat=2465,2416, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 162 ARG HN 162 ARG HG2 4.39 (#peak 2432)
&rst
ixpk= 2432, nxpk= 0, iat=2465,2472, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 162 ARG HN 162 ARG HG3 4.46 (#peak 2437)
&rst
ixpk= 2437, nxpk= 0, iat=2465,2473, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 162 ARG HN 162 ARG QB 3.80 (#peak 2428)
&rst
ixpk= 2428, nxpk= 0, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=2469,2470,
&end
#
# 162 ARG HN 162 ARG QD 4.60 (#peak 2427)
&rst
ixpk= 2427, nxpk= 0, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2475,2476,
&end
#
# 162 ARG HN 163 LYS HN 4.08 (#peak 2425)
&rst
ixpk= 2425, nxpk= 0, iat=2465,2489, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 162 ARG HN 164 GLY HN 5.43 (#peak 2905)
&rst
ixpk= 2905, nxpk= 0, iat=2465,2511, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 162 ARG HA 162 ARG HG2 3.45 (#peak 4928)
&rst
ixpk= 4928, nxpk= 0, iat=2467,2472, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 162 ARG HA 162 ARG HG3 3.49 (#peak 4923)
&rst
ixpk= 4923, nxpk= 0, iat=2467,2473, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 162 ARG HA 162 ARG QB 2.97 (#peak 4925)
&rst
ixpk= 4925, nxpk= 0, iat=2467, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2=2469,2470,
&end
#
# 162 ARG HA 162 ARG QD 4.13 (#peak 4934)
&rst
ixpk= 4934, nxpk= 0, iat=2467, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=2475,2476,
&end
#
# 162 ARG HA 164 GLY HN 5.09 (#peak 7063)
&rst
ixpk= 7063, nxpk= 0, iat=2467,2511, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 162 ARG HG2 162 ARG QD 2.91 (#peak 5490)
&rst
ixpk= 5490, nxpk= 0, iat=2472, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2=2475,2476,
&end
#
# 162 ARG HG2 163 LYS HN 5.59 (#peak 9)
&rst
ixpk= 9, nxpk= 0, iat=2472,2489, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 162 ARG HG3 162 ARG QD 2.98 (#peak 5484)
&rst
ixpk= 5484, nxpk= 0, iat=2473, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=2475,2476,
&end
#
# 162 ARG N 158 THR O 3.3
&rst
ixpk= 5484, nxpk= 0, iat=2464,2416, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 162 ARG QB 162 ARG HG2 2.40 (#peak 907)
&rst
ixpk= 907, nxpk= 0, iat= -1,2472, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr1=2469,2470,
&end
#
# 162 ARG QB 162 ARG HG3 2.80 (#peak 72)
&rst
ixpk= 72, nxpk= 0, iat= -1,2473, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2469,2470,
&end
#
# 162 ARG QB 162 ARG QD 3.07 (#peak 912)
&rst
ixpk= 912, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1=2469,2470,
igr2=2475,2476,
&end
#
# 162 ARG QB 163 LYS HN 4.17 (#peak 2)
&rst
ixpk= 2, nxpk= 0, iat= -1,2489, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=2469,2470,
&end
#
# 163 LYS HN 159 GLU O 2.4
&rst
ixpk= 2, nxpk= 0, iat=2489,2431, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 163 LYS HN 163 LYS HB2 4.14 (#peak 7)
&rst
ixpk= 7, nxpk= 0, iat=2489,2493, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 163 LYS HN 163 LYS HD2 4.81 (#peak 5)
&rst
ixpk= 5, nxpk= 0, iat=2489,2499, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 163 LYS HN 163 LYS HD3 6.15 (#peak 13)
&rst
ixpk= 13, nxpk= 0, iat=2489,2500, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 163 LYS HN 163 LYS HG2 4.39 (#peak 6)
&rst
ixpk= 6, nxpk= 0, iat=2489,2496, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 163 LYS HN 163 LYS HG3 5.88 (#peak 14)
&rst
ixpk= 14, nxpk= 0, iat=2489,2497, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 163 LYS HN 163 LYS QE 6.15 (#peak 3)
&rst
ixpk= 3, nxpk= 0, iat=2489, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=2502,2503,
&end
#
# 163 LYS HN 164 GLY HN 4.32 (#peak 15)
&rst
ixpk= 15, nxpk= 0, iat=2489,2511, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 163 LYS HN 164 GLY HA3 6.15 (#peak 12)
&rst
ixpk= 12, nxpk= 0, iat=2489,2514, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 163 LYS HA 163 LYS HD2 5.06 (#peak 620)
&rst
ixpk= 620, nxpk= 0, iat=2491,2499, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 163 LYS HA 163 LYS HD3 4.59 (#peak 3171)
&rst
ixpk= 3171, nxpk= 0, iat=2491,2500, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 163 LYS HA 163 LYS HG3 4.12 (#peak 3720)
&rst
ixpk= 3720, nxpk= 0, iat=2491,2497, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 163 LYS HA 163 LYS QE 5.00 (#peak 6008)
&rst
ixpk= 6008, nxpk= 0, iat=2491, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2502,2503,
&end
#
# 163 LYS HB2 163 LYS HD3 3.94 (#peak 1470)
&rst
ixpk= 1470, nxpk= 0, iat=2493,2500, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 163 LYS HB2 163 LYS HG2 2.94 (#peak 1147)
&rst
ixpk= 1147, nxpk= 0, iat=2493,2496, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 163 LYS HB2 163 LYS QE 4.17 (#peak 1475)
&rst
ixpk= 1475, nxpk= 0, iat=2493, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2502,2503,
&end
#
# 163 LYS HB2 164 GLY HN 5.44 (#peak 2403)
&rst
ixpk= 2403, nxpk= 0, iat=2493,2511, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 163 LYS HB3 163 LYS HD3 3.58 (#peak 2017)
&rst
ixpk= 2017, nxpk= 0, iat=2494,2500, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 163 LYS HB3 163 LYS QE 3.83 (#peak 6006)
&rst
ixpk= 6006, nxpk= 0, iat=2494, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=2502,2503,
&end
#
# 163 LYS HB3 164 GLY HN 5.34 (#peak 2404)
&rst
ixpk= 2404, nxpk= 0, iat=2494,2511, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 163 LYS HD2 164 GLY HN 5.91 (#peak 2401)
&rst
ixpk= 2401, nxpk= 0, iat=2499,2511, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 163 LYS HD3 164 GLY HN 5.70 (#peak 2407)
&rst
ixpk= 2407, nxpk= 0, iat=2500,2511, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 163 LYS HG2 163 LYS HD2 2.97 (#peak 1145)
&rst
ixpk= 1145, nxpk= 0, iat=2496,2499, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 163 LYS HG2 163 LYS QE 2.90 (#peak 1155)
&rst
ixpk= 1155, nxpk= 0, iat=2496, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=2502,2503,
&end
#
# 163 LYS HG2 164 GLY HN 5.98 (#peak 2402)
&rst
ixpk= 2402, nxpk= 0, iat=2496,2511, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 163 LYS HG3 163 LYS HD2 2.82 (#peak 621)
&rst
ixpk= 621, nxpk= 0, iat=2497,2499, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 163 LYS HG3 163 LYS HD3 2.93 (#peak 3172)
&rst
ixpk= 3172, nxpk= 0, iat=2497,2500, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 163 LYS HG3 163 LYS QE 3.25 (#peak 3725)
&rst
ixpk= 3725, nxpk= 0, iat=2497, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=2502,2503,
&end
#
# 163 LYS N 159 GLU O 3.3
&rst
ixpk= 3725, nxpk= 0, iat=2488,2431, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 165 ARG HN 165 ARG HD2 5.01 (#peak 1697)
&rst
ixpk= 1697, nxpk= 0, iat=2518,2528, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 165 ARG HN 165 ARG QG 4.61 (#peak 1698)
&rst
ixpk= 1698, nxpk= 0, iat=2518, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=2525,2526,
&end
#
# 165 ARG HN 166 THR HN 4.61 (#peak 1703)
&rst
ixpk= 1703, nxpk= 0, iat=2518,2542, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 165 ARG HN 166 THR HA 5.74 (#peak 1705)
&rst
ixpk= 1705, nxpk= 0, iat=2518,2544, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 165 ARG HA 165 ARG HD2 4.19 (#peak 1104)
&rst
ixpk= 1104, nxpk= 0, iat=2520,2528, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 165 ARG HA 165 ARG HD3 4.13 (#peak 3670)
&rst
ixpk= 3670, nxpk= 0, iat=2520,2529, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 165 ARG HA 165 ARG QG 3.81 (#peak 4104)
&rst
ixpk= 4104, nxpk= 0, iat=2520, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=2525,2526,
&end
#
# 165 ARG HB2 165 ARG HD3 4.17 (#peak 3669)
&rst
ixpk= 3669, nxpk= 0, iat=2522,2529, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 165 ARG HB2 166 THR HN 4.17 (#peak 1991)
&rst
ixpk= 1991, nxpk= 0, iat=2522,2542, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 165 ARG HB2 183 ALA QB 4.51 (#peak 7061)
&rst
ixpk= 7061, nxpk= 0, iat=2522, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2790,2791,2792,
&end
#
# 165 ARG HB3 165 ARG HD3 4.13 (#peak 3663)
&rst
ixpk= 3663, nxpk= 0, iat=2523,2529, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 165 ARG HB3 166 THR HN 4.25 (#peak 1983)
&rst
ixpk= 1983, nxpk= 0, iat=2523,2542, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 165 ARG HD2 166 THR HN 6.06 (#peak 1987)
&rst
ixpk= 1987, nxpk= 0, iat=2528,2542, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 165 ARG HD3 166 THR HN 5.77 (#peak 1996)
&rst
ixpk= 1996, nxpk= 0, iat=2529,2542, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 165 ARG HD3 183 ALA QB 4.64 (#peak 6677)
&rst
ixpk= 6677, nxpk= 0, iat=2529, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2790,2791,2792,
&end
#
# 165 ARG QG 166 THR HN 4.66 (#peak 1990)
&rst
ixpk= 1990, nxpk= 0, iat= -1,2542, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=2525,2526,
&end
#
# 166 THR HN 166 THR HB 3.57 (#peak 1986)
&rst
ixpk= 1986, nxpk= 0, iat=2542,2546, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 166 THR HN 166 THR QG2 4.30 (#peak 1989)
&rst
ixpk= 1989, nxpk= 0, iat=2542, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2548,2549,2550,
&end
#
# 166 THR HN 167 ALA HN 5.66 (#peak 1988)
&rst
ixpk= 1988, nxpk= 0, iat=2542,2556, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 166 THR HN 181 ALA HA 6.15 (#peak 1982)
&rst
ixpk= 1982, nxpk= 0, iat=2542,2759, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 166 THR HN 181 ALA QB 6.00 (#peak 1992)
&rst
ixpk= 1992, nxpk= 0, iat=2542, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2761,2762,2763,
&end
#
# 166 THR HN 182 ILE HN 4.51 (#peak 1769)
&rst
ixpk= 1769, nxpk= 0, iat=2542,2767, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 166 THR HN 182 ILE QG2 5.72 (#peak 1998)
&rst
ixpk= 1998, nxpk= 0, iat=2542, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr2=2773,2774,2775,
&end
#
# 166 THR HA 166 THR QG2 3.02 (#peak 2983)
&rst
ixpk= 2983, nxpk= 0, iat=2544, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=2548,2549,2550,
&end
#
# 166 THR HA 167 ALA HN 2.80 (#peak 1107)
&rst
ixpk= 1107, nxpk= 0, iat=2544,2556, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 166 THR HB 167 ALA HN 6.15 (#peak 1101)
&rst
ixpk= 1101, nxpk= 0, iat=2546,2556, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 166 THR HB 182 ILE HN 4.61 (#peak 1764)
&rst
ixpk= 1764, nxpk= 0, iat=2546,2767, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 166 THR HB 182 ILE HB 5.03 (#peak 5849)
&rst
ixpk= 5849, nxpk= 0, iat=2546,2771, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 166 THR HB 182 ILE HG12 4.88 (#peak 5887)
&rst
ixpk= 5887, nxpk= 0, iat=2546,2777, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 166 THR HB 182 ILE QD1 4.34 (#peak 407)
&rst
ixpk= 407, nxpk= 0, iat=2546, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2780,2781,2782,
&end
#
# 166 THR HB 182 ILE QG2 4.31 (#peak 3838)
&rst
ixpk= 3838, nxpk= 0, iat=2546, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=2773,2774,2775,
&end
#
# 166 THR QG2 167 ALA HN 3.26 (#peak 1103)
&rst
ixpk= 1103, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=2548,2549,2550,
&end
#
# 166 THR QG2 186 atp H50 4.57 (#peak 6823)
&rst
ixpk= 6823, nxpk= 0, iat= -1,2836, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=2548,2549,2550,
&end
#
# 167 ALA HN 167 ALA QB 3.71 (#peak 1105)
&rst
ixpk= 1105, nxpk= 0, iat=2556, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=2560,2561,2562,
&end
#
# 167 ALA HN 168 VAL QG2 5.09 (#peak 1100)
&rst
ixpk= 1100, nxpk= 0, iat=2556, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2576,2577,2578,
&end
#
# 167 ALA HN 181 ALA HA 6.15 (#peak 1099)
&rst
ixpk= 1099, nxpk= 0, iat=2556,2759, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 167 ALA HA 181 ALA HA 3.65 (#peak 2685)
&rst
ixpk= 2685, nxpk= 0, iat=2558,2759, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 167 ALA HA 181 ALA QB 4.16 (#peak 2684)
&rst
ixpk= 2684, nxpk= 0, iat=2558, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=2761,2762,2763,
&end
#
# 167 ALA HA 182 ILE HN 4.58 (#peak 1766)
&rst
ixpk= 1766, nxpk= 0, iat=2558,2767, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 167 ALA QB 168 VAL HN 4.55 (#peak 2275)
&rst
ixpk= 2275, nxpk= 0, iat= -1,2566, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=2560,2561,2562,
&end
#
# 167 ALA QB 181 ALA HN 6.15 (#peak 225)
&rst
ixpk= 225, nxpk= 0, iat= -1,2757, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=2560,2561,2562,
&end
#
# 167 ALA QB 181 ALA HA 3.98 (#peak 5108)
&rst
ixpk= 5108, nxpk= 0, iat= -1,2759, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=2560,2561,2562,
&end
#
# 167 ALA QB 181 ALA QB 4.31 (#peak 3192)
&rst
ixpk= 3192, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2560,2561,2562,
igr2=2761,2762,2763,
&end
#
# 168 VAL HN 168 VAL QG1 4.76 (#peak 2272)
&rst
ixpk= 2272, nxpk= 0, iat=2566, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=2572,2573,2574,
&end
#
# 168 VAL HN 168 VAL QG2 3.10 (#peak 2271)
&rst
ixpk= 2271, nxpk= 0, iat=2566, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=2576,2577,2578,
&end
#
# 168 VAL HN 180 ILE HN 4.97 (#peak 2270)
&rst
ixpk= 2270, nxpk= 0, iat=2566,2738, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 168 VAL HN 180 ILE HB 5.48 (#peak 2276)
&rst
ixpk= 2276, nxpk= 0, iat=2566,2742, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 168 VAL HN 181 ALA HA 5.41 (#peak 2269)
&rst
ixpk= 2269, nxpk= 0, iat=2566,2759, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 168 VAL HA 168 VAL QG1 3.30 (#peak 2326)
&rst
ixpk= 2326, nxpk= 0, iat=2568, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=2572,2573,2574,
&end
#
# 168 VAL HA 168 VAL QG2 3.37 (#peak 103)
&rst
ixpk= 103, nxpk= 0, iat=2568, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=2576,2577,2578,
&end
#
# 168 VAL HA 169 LEU HN 3.49 (#peak 902)
&rst
ixpk= 902, nxpk= 0, iat=2568,2582, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 168 VAL HB 169 LEU HN 4.02 (#peak 900)
&rst
ixpk= 900, nxpk= 0, iat=2570,2582, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 168 VAL HB 180 ILE HN 5.46 (#peak 142)
&rst
ixpk= 142, nxpk= 0, iat=2570,2738, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 168 VAL QG1 186 atp H2' 3.58 (#peak 6878)
&rst
ixpk= 6878, nxpk= 0, iat= -1,2864, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=2572,2573,2574,
&end
#
# 168 VAL QG1 186 atp H3' 3.60 (#peak 7127)
&rst
ixpk= 7127, nxpk= 0, iat= -1,2860, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=2572,2573,2574,
&end
#
# 168 VAL QG2 169 LEU HN 4.19 (#peak 891)
&rst
ixpk= 891, nxpk= 0, iat= -1,2582, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=2576,2577,2578,
&end
#
# 169 LEU HN 169 LEU HB2 4.17 (#peak 896)
&rst
ixpk= 896, nxpk= 0, iat=2582,2586, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 169 LEU HN 169 LEU HG 3.96 (#peak 901)
&rst
ixpk= 901, nxpk= 0, iat=2582,2589, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 169 LEU HN 169 LEU QD1 4.66 (#peak 889)
&rst
ixpk= 889, nxpk= 0, iat=2582, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=2591,2592,2593,
&end
#
# 169 LEU HN 169 LEU QD2 4.72 (#peak 895)
&rst
ixpk= 895, nxpk= 0, iat=2582, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2595,2596,2597,
&end
#
# 169 LEU HA 169 LEU HG 4.17 (#peak 5437)
&rst
ixpk= 5437, nxpk= 0, iat=2584,2589, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 169 LEU HA 169 LEU QD1 3.70 (#peak 1134)
&rst
ixpk= 1134, nxpk= 0, iat=2584, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=2591,2592,2593,
&end
#
# 169 LEU HA 169 LEU QD2 4.24 (#peak 5434)
&rst
ixpk= 5434, nxpk= 0, iat=2584, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=2595,2596,2597,
&end
#
# 169 LEU HA 179 LEU HA 2.86 (#peak 3112)
&rst
ixpk= 3112, nxpk= 0, iat=2584,2721, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 169 LEU HA 180 ILE HN 4.18 (#peak 130)
&rst
ixpk= 130, nxpk= 0, iat=2584,2738, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 169 LEU HB2 169 LEU QD1 3.60 (#peak 1132)
&rst
ixpk= 1132, nxpk= 0, iat=2586, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=2591,2592,2593,
&end
#
# 169 LEU HB2 169 LEU QD2 3.14 (#peak 3711)
&rst
ixpk= 3711, nxpk= 0, iat=2586, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2595,2596,2597,
&end
#
# 169 LEU HB3 169 LEU QD1 3.40 (#peak 1131)
&rst
ixpk= 1131, nxpk= 0, iat=2587, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=2591,2592,2593,
&end
#
# 169 LEU HB3 169 LEU QD2 2.40 (#peak 3709)
&rst
ixpk= 3709, nxpk= 0, iat=2587, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2=2595,2596,2597,
&end
#
# 169 LEU HB3 170 VAL HN 3.93 (#peak 1171)
&rst
ixpk= 1171, nxpk= 0, iat=2587,2601, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 169 LEU HG 170 VAL HN 5.63 (#peak 1173)
&rst
ixpk= 1173, nxpk= 0, iat=2589,2601, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 169 LEU QD1 180 ILE HN 6.01 (#peak 129)
&rst
ixpk= 129, nxpk= 0, iat= -1,2738, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1=2591,2592,2593,
&end
#
# 169 LEU QD2 170 VAL HN 5.17 (#peak 1167)
&rst
ixpk= 1167, nxpk= 0, iat= -1,2601, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=2595,2596,2597,
&end
#
# 170 VAL HN 178 GLY HA3 5.61 (#peak 1168)
&rst
ixpk= 1168, nxpk= 0, iat=2601,2715, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 170 VAL HN 178 GLY O 2.4
&rst
ixpk= 1168, nxpk= 0, iat=2601,2717, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 170 VAL HN 179 LEU HA 3.73 (#peak 1166)
&rst
ixpk= 1166, nxpk= 0, iat=2601,2721, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 170 VAL HN 180 ILE HG12 5.68 (#peak 2630)
&rst
ixpk= 2630, nxpk= 0, iat=2601,2748, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 170 VAL HB 177 CYS HN 6.15 (#peak 2875)
&rst
ixpk= 2875, nxpk= 0, iat=2605,2701, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 170 VAL HB 178 GLY HN 5.56 (#peak 2230)
&rst
ixpk= 2230, nxpk= 0, iat=2605,2712, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 170 VAL N 178 GLY O 3.3
&rst
ixpk= 2230, nxpk= 0, iat=2600,2717, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 170 VAL QG1 178 GLY HN 4.30 (#peak 2867)
&rst
ixpk= 2867, nxpk= 0, iat= -1,2712, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=2607,2608,2609,
&end
#
# 170 VAL QG2 178 GLY HN 4.10 (#peak 2866)
&rst
ixpk= 2866, nxpk= 0, iat= -1,2712, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=2611,2612,2613,
&end
#
# 171 ALA HN 135 LEU O 2.4
&rst
ixpk= 2866, nxpk= 0, iat=2617,2045, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 171 ALA HN 172 VAL QG1 5.22 (#peak 2250)
&rst
ixpk= 2250, nxpk= 0, iat=2617, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=2633,2634,2635,
&end
#
# 171 ALA HA 172 VAL QG1 4.11 (#peak 6559)
&rst
ixpk= 6559, nxpk= 0, iat=2619, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=2633,2634,2635,
&end
#
# 171 ALA HA 175 GLU HN 5.00 (#peak 1750)
&rst
ixpk= 1750, nxpk= 0, iat=2619,2667, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 171 ALA HA 176 LEU HN 5.99 (#peak 49)
&rst
ixpk= 49, nxpk= 0, iat=2619,2682, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 171 ALA HA 176 LEU HA 3.91 (#peak 1952)
&rst
ixpk= 1952, nxpk= 0, iat=2619,2684, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 171 ALA HA 176 LEU QD1 5.10 (#peak 7074)
&rst
ixpk= 7074, nxpk= 0, iat=2619, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=2691,2692,2693,
&end
#
# 171 ALA HA 177 CYS HN 4.96 (#peak 1514)
&rst
ixpk= 1514, nxpk= 0, iat=2619,2701, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 171 ALA HA 178 GLY HN 5.74 (#peak 2224)
&rst
ixpk= 2224, nxpk= 0, iat=2619,2712, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 171 ALA N 135 LEU O 3.3
&rst
ixpk= 2224, nxpk= 0, iat=2616,2045, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 171 ALA QB 172 VAL HN 5.84 (#peak 2632)
&rst
ixpk= 2632, nxpk= 0, iat= -1,2627, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=2621,2622,2623,
&end
#
# 171 ALA QB 173 ASP HN 5.47 (#peak 1964)
&rst
ixpk= 1964, nxpk= 0, iat= -1,2643, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=2621,2622,2623,
&end
#
# 171 ALA QB 174 ASP HN 6.15 (#peak 2850)
&rst
ixpk= 2850, nxpk= 0, iat= -1,2655, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=2621,2622,2623,
&end
#
# 171 ALA QB 175 GLU HA 5.04 (#peak 6563)
&rst
ixpk= 6563, nxpk= 0, iat= -1,2669, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2621,2622,2623,
&end
#
# 171 ALA QB 176 LEU HA 3.65 (#peak 1278)
&rst
ixpk= 1278, nxpk= 0, iat= -1,2684, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=2621,2622,2623,
&end
#
# 171 ALA QB 176 LEU QD2 3.73 (#peak 6922)
&rst
ixpk= 6922, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=2621,2622,2623,
igr2=2695,2696,2697,
&end
#
# 172 VAL HN 172 VAL QG1 4.27 (#peak 478)
&rst
ixpk= 478, nxpk= 0, iat=2627, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=2633,2634,2635,
&end
#
# 172 VAL HN 172 VAL QG2 4.10 (#peak 472)
&rst
ixpk= 472, nxpk= 0, iat=2627, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=2637,2638,2639,
&end
#
# 172 VAL HN 173 ASP HN 6.15 (#peak 2848)
&rst
ixpk= 2848, nxpk= 0, iat=2627,2643, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 172 VAL HN 174 ASP HN 5.18 (#peak 2849)
&rst
ixpk= 2849, nxpk= 0, iat=2627,2655, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 172 VAL HN 175 GLU HN 5.16 (#peak 2712)
&rst
ixpk= 2712, nxpk= 0, iat=2627,2667, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &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 HA 4.47 (#peak 2634)
&rst
ixpk= 2634, nxpk= 0, iat=2627,2684, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 172 VAL HN 177 CYS HN 5.81 (#peak 477)
&rst
ixpk= 477, nxpk= 0, iat=2627,2701, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 172 VAL HN 177 CYS HB3 5.68 (#peak 471)
&rst
ixpk= 471, nxpk= 0, iat=2627,2706, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 172 VAL HA 172 VAL QG1 3.80 (#peak 4736)
&rst
ixpk= 4736, nxpk= 0, iat=2629, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=2633,2634,2635,
&end
#
# 172 VAL HA 172 VAL QG2 3.45 (#peak 4742)
&rst
ixpk= 4742, nxpk= 0, iat=2629, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=2637,2638,2639,
&end
#
# 172 VAL HA 173 ASP HN 3.36 (#peak 1972)
&rst
ixpk= 1972, nxpk= 0, iat=2629,2643, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 172 VAL HA 174 ASP HN 6.15 (#peak 2633)
&rst
ixpk= 2633, nxpk= 0, iat=2629,2655, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 172 VAL HB 173 ASP HN 3.82 (#peak 1973)
&rst
ixpk= 1973, nxpk= 0, iat=2631,2643, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 172 VAL HB 174 ASP HN 6.15 (#peak 2852)
&rst
ixpk= 2852, nxpk= 0, iat=2631,2655, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 172 VAL HB 177 CYS HB3 5.34 (#peak 6991)
&rst
ixpk= 6991, nxpk= 0, iat=2631,2706, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 172 VAL N 175 GLU O 3.3
&rst
ixpk= 6991, nxpk= 0, iat=2626,2680, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 172 VAL QG1 173 ASP HN 4.98 (#peak 1967)
&rst
ixpk= 1967, nxpk= 0, iat= -1,2643, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=2633,2634,2635,
&end
#
# 172 VAL QG2 173 ASP HN 4.61 (#peak 1961)
&rst
ixpk= 1961, nxpk= 0, iat= -1,2643, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=2637,2638,2639,
&end
#
# 172 VAL QG2 177 CYS HB3 4.28 (#peak 5769)
&rst
ixpk= 5769, nxpk= 0, iat= -1,2706, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=2637,2638,2639,
&end
#
# 173 ASP HN 174 ASP HN 3.91 (#peak 1974)
&rst
ixpk= 1974, nxpk= 0, iat=2643,2655, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 173 ASP HN 174 ASP HA 5.23 (#peak 1965)
&rst
ixpk= 1965, nxpk= 0, iat=2643,2657, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 173 ASP HB2 174 ASP HN 5.37 (#peak 2851)
&rst
ixpk= 2851, nxpk= 0, iat=2647,2655, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 174 ASP HN 174 ASP QB 3.68 (#peak 2527)
&rst
ixpk= 2527, nxpk= 0, iat=2655, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=2659,2660,
&end
#
# 174 ASP HN 175 GLU HN 3.95 (#peak 2529)
&rst
ixpk= 2529, nxpk= 0, iat=2655,2667, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 174 ASP QB 175 GLU HN 4.04 (#peak 1752)
&rst
ixpk= 1752, nxpk= 0, iat= -1,2667, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2659,2660,
&end
#
# 175 GLU HN 172 VAL O 2.4
&rst
ixpk= 1752, nxpk= 0, iat=2667,2641, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 175 GLU HN 175 GLU HB2 3.90 (#peak 1755)
&rst
ixpk= 1755, nxpk= 0, iat=2667,2671, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 175 GLU HN 175 GLU HB3 4.10 (#peak 1747)
&rst
ixpk= 1747, nxpk= 0, iat=2667,2672, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 175 GLU HN 175 GLU QG 4.44 (#peak 1748)
&rst
ixpk= 1748, nxpk= 0, iat=2667, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=2674,2675,
&end
#
# 175 GLU HN 176 LEU HN 4.48 (#peak 1745)
&rst
ixpk= 1745, nxpk= 0, iat=2667,2682, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 175 GLU HB2 175 GLU QG 2.40 (#peak 465)
&rst
ixpk= 465, nxpk= 0, iat=2671, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr2=2674,2675,
&end
#
# 175 GLU HB2 176 LEU HN 5.08 (#peak 55)
&rst
ixpk= 55, nxpk= 0, iat=2671,2682, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 175 GLU HB3 175 GLU QG 2.58 (#peak 461)
&rst
ixpk= 461, nxpk= 0, iat=2672, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr2=2674,2675,
&end
#
# 175 GLU HB3 177 CYS HB3 5.44 (#peak 6992)
&rst
ixpk= 6992, nxpk= 0, iat=2672,2706, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 175 GLU N 172 VAL O 3.3
&rst
ixpk= 6992, nxpk= 0, iat=2666,2641, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 175 GLU QG 176 LEU HN 4.42 (#peak 47)
&rst
ixpk= 47, nxpk= 0, iat= -1,2682, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=2674,2675,
&end
#
# 176 LEU HN 176 LEU HB2 3.89 (#peak 51)
&rst
ixpk= 51, nxpk= 0, iat=2682,2686, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 176 LEU HN 176 LEU HB3 3.84 (#peak 43)
&rst
ixpk= 43, nxpk= 0, iat=2682,2687, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 176 LEU HN 176 LEU HG 6.10 (#peak 42)
&rst
ixpk= 42, nxpk= 0, iat=2682,2689, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 176 LEU HN 176 LEU QD1 4.54 (#peak 44)
&rst
ixpk= 44, nxpk= 0, iat=2682, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=2691,2692,2693,
&end
#
# 176 LEU HN 176 LEU QD2 4.50 (#peak 48)
&rst
ixpk= 48, nxpk= 0, iat=2682, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2695,2696,2697,
&end
#
# 176 LEU HA 176 LEU QD1 3.88 (#peak 3974)
&rst
ixpk= 3974, nxpk= 0, iat=2684, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=2691,2692,2693,
&end
#
# 176 LEU HA 176 LEU QD2 3.93 (#peak 1028)
&rst
ixpk= 1028, nxpk= 0, iat=2684, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2695,2696,2697,
&end
#
# 176 LEU HA 178 GLY HN 6.02 (#peak 2228)
&rst
ixpk= 2228, nxpk= 0, iat=2684,2712, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 176 LEU HB2 176 LEU QD1 3.61 (#peak 3866)
&rst
ixpk= 3866, nxpk= 0, iat=2686, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=2691,2692,2693,
&end
#
# 176 LEU HB2 176 LEU QD2 3.61 (#peak 1027)
&rst
ixpk= 1027, nxpk= 0, iat=2686, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=2695,2696,2697,
&end
#
# 176 LEU HB2 177 CYS HN 5.09 (#peak 1517)
&rst
ixpk= 1517, nxpk= 0, iat=2686,2701, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 176 LEU HB3 176 LEU QD1 3.50 (#peak 433)
&rst
ixpk= 433, nxpk= 0, iat=2687, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2691,2692,2693,
&end
#
# 176 LEU HB3 176 LEU QD2 3.20 (#peak 427)
&rst
ixpk= 427, nxpk= 0, iat=2687, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=2695,2696,2697,
&end
#
# 176 LEU HB3 177 CYS HN 5.55 (#peak 1506)
&rst
ixpk= 1506, nxpk= 0, iat=2687,2701, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 176 LEU HG 177 CYS HN 5.24 (#peak 1505)
&rst
ixpk= 1505, nxpk= 0, iat=2689,2701, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 176 LEU QD1 177 CYS HN 5.74 (#peak 1508)
&rst
ixpk= 1508, nxpk= 0, iat= -1,2701, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=2691,2692,2693,
&end
#
# 176 LEU QD1 178 GLY HN 5.53 (#peak 2690)
&rst
ixpk= 2690, nxpk= 0, iat= -1,2712, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1=2691,2692,2693,
&end
#
# 177 CYS HN 170 VAL O 2.4
&rst
ixpk= 2690, nxpk= 0, iat=2701,2615, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 177 CYS HN 178 GLY HN 4.90 (#peak 2225)
&rst
ixpk= 2225, nxpk= 0, iat=2701,2712, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 177 CYS HN 178 GLY HA2 5.17 (#peak 1512)
&rst
ixpk= 1512, nxpk= 0, iat=2701,2714, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 177 CYS HN 178 GLY HA3 5.92 (#peak 1516)
&rst
ixpk= 1516, nxpk= 0, iat=2701,2715, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 177 CYS HB2 178 GLY HN 6.15 (#peak 2231)
&rst
ixpk= 2231, nxpk= 0, iat=2705,2712, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 177 CYS HB3 178 GLY HN 6.15 (#peak 2221)
&rst
ixpk= 2221, nxpk= 0, iat=2706,2712, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 177 CYS N 170 VAL O 3.3
&rst
ixpk= 2221, nxpk= 0, iat=2700,2615, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 178 GLY HN 179 LEU HN 5.23 (#peak 1582)
&rst
ixpk= 1582, nxpk= 0, iat=2712,2719, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 178 GLY HA2 179 LEU QD2 4.94 (#peak 4913)
&rst
ixpk= 4913, nxpk= 0, iat=2714, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2732,2733,2734,
&end
#
# 179 LEU HN 14 LYS O 2.4
&rst
ixpk= 4913, nxpk= 0, iat=2719, 217, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 179 LEU HN 179 LEU HB2 4.04 (#peak 1573)
&rst
ixpk= 1573, nxpk= 0, iat=2719,2723, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 179 LEU HN 179 LEU HG 4.29 (#peak 1575)
&rst
ixpk= 1575, nxpk= 0, iat=2719,2726, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 179 LEU HN 179 LEU QD1 4.35 (#peak 1571)
&rst
ixpk= 1571, nxpk= 0, iat=2719, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=2728,2729,2730,
&end
#
# 179 LEU HN 179 LEU QD2 4.56 (#peak 1583)
&rst
ixpk= 1583, nxpk= 0, iat=2719, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2732,2733,2734,
&end
#
# 179 LEU HN 180 ILE HN 5.16 (#peak 1569)
&rst
ixpk= 1569, nxpk= 0, iat=2719,2738, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 179 LEU HA 179 LEU HG 4.10 (#peak 3107)
&rst
ixpk= 3107, nxpk= 0, iat=2721,2726, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 179 LEU HA 179 LEU QD1 4.19 (#peak 3106)
&rst
ixpk= 3106, nxpk= 0, iat=2721, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=2728,2729,2730,
&end
#
# 179 LEU HA 179 LEU QD2 3.82 (#peak 3111)
&rst
ixpk= 3111, nxpk= 0, iat=2721, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=2732,2733,2734,
&end
#
# 179 LEU HB2 179 LEU QD1 3.98 (#peak 1448)
&rst
ixpk= 1448, nxpk= 0, iat=2723, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=2728,2729,2730,
&end
#
# 179 LEU HB2 179 LEU QD2 3.75 (#peak 1452)
&rst
ixpk= 1452, nxpk= 0, iat=2723, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=2732,2733,2734,
&end
#
# 179 LEU HB2 180 ILE HN 5.08 (#peak 132)
&rst
ixpk= 132, nxpk= 0, iat=2723,2738, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 179 LEU HB3 179 LEU QD1 3.50 (#peak 1768)
&rst
ixpk= 1768, nxpk= 0, iat=2724, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2728,2729,2730,
&end
#
# 179 LEU HB3 179 LEU QD2 3.40 (#peak 4906)
&rst
ixpk= 4906, nxpk= 0, iat=2724, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=2732,2733,2734,
&end
#
# 179 LEU HB3 180 ILE HN 5.02 (#peak 127)
&rst
ixpk= 127, nxpk= 0, iat=2724,2738, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 179 LEU N 14 LYS O 3.3
&rst
ixpk= 127, nxpk= 0, iat=2718, 217, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 179 LEU QD1 180 ILE HN 5.10 (#peak 131)
&rst
ixpk= 131, nxpk= 0, iat= -1,2738, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=2728,2729,2730,
&end
#
# 180 ILE HN 168 VAL O 2.4
&rst
ixpk= 131, nxpk= 0, iat=2738,2580, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 180 ILE HN 180 ILE HB 3.88 (#peak 140)
&rst
ixpk= 140, nxpk= 0, iat=2738,2742, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 180 ILE HN 180 ILE HG12 5.04 (#peak 137)
&rst
ixpk= 137, nxpk= 0, iat=2738,2748, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 180 ILE HN 180 ILE QD1 5.09 (#peak 133)
&rst
ixpk= 133, nxpk= 0, iat=2738, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2751,2752,2753,
&end
#
# 180 ILE HN 180 ILE QG2 5.29 (#peak 138)
&rst
ixpk= 138, nxpk= 0, iat=2738, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=2744,2745,2746,
&end
#
# 180 ILE HA 180 ILE QD1 3.99 (#peak 1657)
&rst
ixpk= 1657, nxpk= 0, iat=2740, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=2751,2752,2753,
&end
#
# 180 ILE HA 180 ILE QG2 3.49 (#peak 4263)
&rst
ixpk= 4263, nxpk= 0, iat=2740, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=2744,2745,2746,
&end
#
# 180 ILE HA 181 ALA HN 3.15 (#peak 224)
&rst
ixpk= 224, nxpk= 0, iat=2740,2757, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 180 ILE HB 180 ILE QD1 3.61 (#peak 5296)
&rst
ixpk= 5296, nxpk= 0, iat=2742, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=2751,2752,2753,
&end
#
# 180 ILE HB 181 ALA HN 4.60 (#peak 227)
&rst
ixpk= 227, nxpk= 0, iat=2742,2757, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 180 ILE HB 181 ALA HA 5.09 (#peak 5305)
&rst
ixpk= 5305, nxpk= 0, iat=2742,2759, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 180 ILE N 168 VAL O 3.3
&rst
ixpk= 5305, nxpk= 0, iat=2737,2580, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 180 ILE QG2 180 ILE HG12 3.27 (#peak 3521)
&rst
ixpk= 3521, nxpk= 0, iat= -1,2748, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2744,2745,2746,
&end
#
# 180 ILE QG2 180 ILE QD1 2.40 (#peak 1659)
&rst
ixpk= 1659, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=2744,2745,2746,
igr2=2751,2752,2753,
&end
#
# 180 ILE QG2 181 ALA HN 3.98 (#peak 220)
&rst
ixpk= 220, nxpk= 0, iat= -1,2757, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=2744,2745,2746,
&end
#
# 180 ILE QG2 181 ALA HA 4.36 (#peak 5112)
&rst
ixpk= 5112, nxpk= 0, iat= -1,2759, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=2744,2745,2746,
&end
#
# 181 ALA HN 12 GLN O 2.4
&rst
ixpk= 5112, nxpk= 0, iat=2757, 179, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 181 ALA HN 181 ALA QB 3.23 (#peak 221)
&rst
ixpk= 221, nxpk= 0, iat=2757, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=2761,2762,2763,
&end
#
# 181 ALA HN 182 ILE HN 5.01 (#peak 223)
&rst
ixpk= 223, nxpk= 0, iat=2757,2767, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 181 ALA HA 182 ILE HN 3.15 (#peak 1757)
&rst
ixpk= 1757, nxpk= 0, iat=2759,2767, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 181 ALA N 12 GLN O 3.3
&rst
ixpk= 1757, nxpk= 0, iat=2756, 179, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 181 ALA QB 182 ILE HN 5.05 (#peak 1765)
&rst
ixpk= 1765, nxpk= 0, iat= -1,2767, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=2761,2762,2763,
&end
#
# 182 ILE HN 182 ILE HG12 5.10 (#peak 1761)
&rst
ixpk= 1761, nxpk= 0, iat=2767,2777, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 182 ILE HN 182 ILE HG13 5.12 (#peak 1768)
&rst
ixpk= 1768, nxpk= 0, iat=2767,2778, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 182 ILE HN 182 ILE QD1 5.15 (#peak 1763)
&rst
ixpk= 1763, nxpk= 0, iat=2767, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=2780,2781,2782,
&end
#
# 182 ILE HN 182 ILE QG2 5.40 (#peak 1770)
&rst
ixpk= 1770, nxpk= 0, iat=2767, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=2773,2774,2775,
&end
#
# 182 ILE HN 183 ALA HN 4.69 (#peak 1762)
&rst
ixpk= 1762, nxpk= 0, iat=2767,2786, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 182 ILE HA 182 ILE HG12 4.17 (#peak 5894)
&rst
ixpk= 5894, nxpk= 0, iat=2769,2777, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 182 ILE HA 182 ILE HG13 4.25 (#peak 2777)
&rst
ixpk= 2777, nxpk= 0, iat=2769,2778, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 182 ILE HA 182 ILE QD1 3.95 (#peak 414)
&rst
ixpk= 414, nxpk= 0, iat=2769, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2780,2781,2782,
&end
#
# 182 ILE HA 182 ILE QG2 4.16 (#peak 5457)
&rst
ixpk= 5457, nxpk= 0, iat=2769, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=2773,2774,2775,
&end
#
# 182 ILE HA 183 ALA QB 4.09 (#peak 377)
&rst
ixpk= 377, nxpk= 0, iat=2769, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=2790,2791,2792,
&end
#
# 182 ILE HB 182 ILE QD1 3.30 (#peak 415)
&rst
ixpk= 415, nxpk= 0, iat=2771, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=2780,2781,2782,
&end
#
# 182 ILE HB 183 ALA HN 4.59 (#peak 670)
&rst
ixpk= 670, nxpk= 0, iat=2771,2786, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 182 ILE HG12 183 ALA HN 5.08 (#peak 671)
&rst
ixpk= 671, nxpk= 0, iat=2777,2786, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 182 ILE QD1 183 ALA HN 4.93 (#peak 673)
&rst
ixpk= 673, nxpk= 0, iat= -1,2786, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=2780,2781,2782,
&end
#
# 182 ILE QG2 182 ILE HG12 3.37 (#peak 3849)
&rst
ixpk= 3849, nxpk= 0, iat= -1,2777, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=2773,2774,2775,
&end
#
# 182 ILE QG2 182 ILE HG13 3.38 (#peak 3840)
&rst
ixpk= 3840, nxpk= 0, iat= -1,2778, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=2773,2774,2775,
&end
#
# 182 ILE QG2 182 ILE QD1 3.23 (#peak 412)
&rst
ixpk= 412, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=2773,2774,2775,
igr2=2780,2781,2782,
&end
#
# 182 ILE QG2 183 ALA HN 4.07 (#peak 681)
&rst
ixpk= 681, nxpk= 0, iat= -1,2786, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=2773,2774,2775,
&end
#
# 182 ILE QG2 184 ASP HN 5.91 (#peak 2703)
&rst
ixpk= 2703, nxpk= 0, iat= -1,2796, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=2773,2774,2775,
&end
#
# 183 ALA HN 183 ALA QB 3.84 (#peak 667)
&rst
ixpk= 667, nxpk= 0, iat=2786, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=2790,2791,2792,
&end
#
# 183 ALA HN 184 ASP HN 4.56 (#peak 1477)
&rst
ixpk= 1477, nxpk= 0, iat=2786,2796, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 183 ALA QB 184 ASP HN 3.60 (#peak 1474)
&rst
ixpk= 1474, nxpk= 0, iat= -1,2796, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=2790,2791,2792,
&end
#
# 183 ALA QB 185 THR HN 5.66 (#peak 1388)
&rst
ixpk= 1388, nxpk= 0, iat= -1,2808, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=2790,2791,2792,
&end
#
# 184 ASP HN 184 ASP HB2 3.93 (#peak 1481)
&rst
ixpk= 1481, nxpk= 0, iat=2796,2800, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 184 ASP HN 184 ASP HB3 3.91 (#peak 1478)
&rst
ixpk= 1478, nxpk= 0, iat=2796,2801, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 184 ASP HN 185 THR HN 4.97 (#peak 1479)
&rst
ixpk= 1479, nxpk= 0, iat=2796,2808, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 184 ASP HN 185 THR HA 6.15 (#peak 2635)
&rst
ixpk= 2635, nxpk= 0, iat=2796,2810, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 184 ASP HN 185 THR QG2 6.15 (#peak 2691)
&rst
ixpk= 2691, nxpk= 0, iat=2796, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2814,2815,2816,
&end
#
# 184 ASP HB2 185 THR HN 4.91 (#peak 1396)
&rst
ixpk= 1396, nxpk= 0, iat=2800,2808, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 184 ASP HB3 185 THR HN 5.10 (#peak 1391)
&rst
ixpk= 1391, nxpk= 0, iat=2801,2808, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 185 THR HN 185 THR QG2 4.29 (#peak 1395)
&rst
ixpk= 1395, nxpk= 0, iat=2808, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2814,2815,2816,
&end
#
# 185 THR HA 185 THR QG2 3.31 (#peak 1987)
&rst
ixpk= 1987, nxpk= 0, iat=2810, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=2814,2815,2816,
&end
# 2864 atoms read from pdb file ./prm_1.pdb.
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