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 |
|
|
492473 |
2kc5   |
16061 | cing | 1-original | 5 | AMBER | distance | NOE | ambi |
#
# 65 VAL HB 65 VAL HA 4.50 (# 0:25 Unique 2.28, 2.52 A)
&rst
ixpk= 0, nxpk= 25, iat= 997, 995, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
&end
#
# 0 AMB 25-2:1 65 VAL HA 5.50 (# 1:25 Single Ambig)
&rst
ixpk= 1, nxpk= 25, iat= -1, 995, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1013,1645,1646,
&end
#
# 65 VAL HN 65 VAL HA 5.50 (# 4:25 Unique 2.93, 2.95 A)
&rst
ixpk= 4, nxpk= 25, iat= 993, 995, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 ILE HN 65 VAL HA 3.50 (# 5:25 Unique 2.23, 2.28 A)
&rst
ixpk= 5, nxpk= 25, iat=1009, 995, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 VAL MGX 65 VAL HA 4.50 (# 6:25 Unique 2.37, 3.49 A)
&rst
ixpk= 6, nxpk= 25, iat= -1, 995, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 999,1000,1001,1003,1004,1005,
&end
#
# 0 AMB 25-2:7 65 VAL HA 5.50 (# 7:25 Single Ambig)
&rst
ixpk= 7, nxpk= 25, iat= -1, 995, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1011, 985,
&end
#
# 0 AMB 25-2:8 65 VAL HA 3.50 (# 8:25 Single Ambig)
&rst
ixpk= 8, nxpk= 25, iat= -1, 995, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 999,1000,1001,1003,1004,1005,1019,1020,
&end
#
# 0 AMB 25-2:9 65 VAL HA 5.50 (# 9:25 Single Ambig)
&rst
ixpk= 9, nxpk= 25, iat= -1, 995, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 987, 988, 989, 823, 824, 825,
&end
#
# 107 SER HN 107 SER HA 5.50 (# 10:25 Unique 2.91, 2.97 A)
&rst
ixpk= 10, nxpk= 25, iat=1660,1662, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 94 PHE HD 107 SER HA 5.50 (# 11:25 Unique 2.38, 4.77 A)
&rst
ixpk= 11, nxpk= 25, iat= -1,1662, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1474,1482,
&end
#
# 65 VAL MGY 107 SER HA 3.50 (# 12:25 Unique 2.44, 4.85 A)
&rst
ixpk= 12, nxpk= 25, iat= -1,1662, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 999,1000,1001,1003,1004,1005,
&end
#
# 66 ILE HN 107 SER HA 5.50 (# 13:25 Unique 3.47, 3.66 A)
&rst
ixpk= 13, nxpk= 25, iat=1009,1662, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 108 CYS HN 107 SER HA 3.50 (# 14:25 Unique 2.26, 2.31 A)
&rst
ixpk= 14, nxpk= 25, iat=1671,1662, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 94 PHE HE 107 SER HA 5.50 (# 15:25 Unique 3.12, 5.43 A)
&rst
ixpk= 15, nxpk= 25, iat= -1,1662, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1476,1480,
&end
#
# 107 SER HB- 107 SER HA 3.50 (# 16:25 Unique 2.36, 2.64 A)
&rst
ixpk= 16, nxpk= 25, iat= -1,1662, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1664,1665,
&end
#
# 64 ALA MB 55 CYS HA 5.50 (# 17:25 Unique 4.21, 4.77 A)
&rst
ixpk= 17, nxpk= 25, iat= -1, 840, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 987, 988, 989,
&end
#
# 55 CYS HB+ 55 CYS HA 5.50 (# 18:25 Unique 2.51, 2.82 A)
&rst
ixpk= 18, nxpk= 25, iat= -1, 840, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 842, 843,
&end
#
# 56 VAL MGX 55 CYS HA 5.50 (# 19:25 Unique 3.58, 5.69 A)
&rst
ixpk= 19, nxpk= 25, iat= -1, 840, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 855, 856, 857, 859, 860, 861,
&end
#
# 0 AMB 25-2:20 55 CYS HA 5.50 (# 20:25 Single Ambig)
&rst
ixpk= 20, nxpk= 25, iat= -1, 840, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 999,1000,1001,1003,1004,1005, 962, 963, 964, 966,
967, 968,
&end
#
# 56 VAL HN 55 CYS HA 3.50 (# 21:25 Unique 2.25, 2.31 A)
&rst
ixpk= 21, nxpk= 25, iat= 849, 840, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 PHE HB- 45 PHE HA 4.50 (# 22:25 Unique 2.33, 2.60 A)
&rst
ixpk= 22, nxpk= 25, iat= -1, 683, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 685, 686,
&end
#
# 55 CYS HB- 55 CYS HA 5.50 (# 23:25 Unique 2.51, 2.82 A)
&rst
ixpk= 23, nxpk= 25, iat= -1, 840, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 842, 843,
&end
#
# 64 ALA HA 55 CYS HA 4.50 (# 24:25 Unique 2.06, 2.23 A)
&rst
ixpk= 24, nxpk= 25, iat= 985, 840, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 65 VAL HN 55 CYS HA 4.50 (# 25:25 Unique 2.82, 2.96 A)
&rst
ixpk= 25, nxpk= 25, iat= 993, 840, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 45 PHE HB+ 45 PHE HA 4.50 (# 26:25 Unique 2.33, 2.60 A)
&rst
ixpk= 26, nxpk= 25, iat= -1, 683, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 685, 686,
&end
#
# 46 THR HN 45 PHE HA 4.50 (# 27:25 Unique 2.05, 2.35 A)
&rst
ixpk= 27, nxpk= 25, iat= 701, 683, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 45 PHE HD 45 PHE HA 5.50 (# 28:25 Unique 2.82, 3.89 A)
&rst
ixpk= 28, nxpk= 25, iat= -1, 683, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 689, 697,
&end
#
# 53 THR HN 45 PHE HA 5.50 (# 29:25 Unique 4.79, 4.95 A)
&rst
ixpk= 29, nxpk= 25, iat= 817, 683, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 PHE HN 45 PHE HA 5.50 (# 30:25 Unique 2.86, 2.91 A)
&rst
ixpk= 30, nxpk= 25, iat= 681, 683, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 63 SER HN 55 CYS HA 5.50 (# 31:25 Unique 4.52, 4.64 A)
&rst
ixpk= 31, nxpk= 25, iat= 972, 840, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 53 THR HB 53 THR HA 4.50 (# 32:25 Unique 2.49, 2.68 A)
&rst
ixpk= 32, nxpk= 25, iat= 821, 819, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:33 53 THR HA 4.50 (# 33:25 Single Ambig)
&rst
ixpk= 33, nxpk= 25, iat= -1, 819, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1019,1020,1015,1016,1017,
&end
#
# 53 THR MG2 53 THR HA 3.50 (# 34:25 Unique 2.34, 2.91 A)
&rst
ixpk= 34, nxpk= 25, iat= -1, 819, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 823, 824, 825,
&end
#
# 54 GLY HN 53 THR HA 3.50 (# 35:25 Unique 2.26, 2.36 A)
&rst
ixpk= 35, nxpk= 25, iat= 831, 819, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 ILE HA 53 THR HA 4.50 (# 36:25 Unique 2.45, 2.60 A)
&rst
ixpk= 36, nxpk= 25, iat=1011, 819, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 54 GLY HN 64 ALA HA 5.50 (# 38:25 Unique 4.43, 4.67 A)
&rst
ixpk= 38, nxpk= 25, iat= 831, 985, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:39 64 ALA HA 4.50 (# 39:25 Single Ambig)
&rst
ixpk= 39, nxpk= 25, iat= -1, 985, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 999,1000,1001,1003,1004,1005, 962, 963, 964, 966,
967, 968, 962, 963, 964, 966, 967, 968,
&end
#
# 55 CYS HA 64 ALA HA 4.50 (# 40:25 Unique 2.06, 2.23 A)
&rst
ixpk= 40, nxpk= 25, iat= 840, 985, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 65 VAL HN 64 ALA HA 3.50 (# 41:25 Unique 2.28, 2.32 A)
&rst
ixpk= 41, nxpk= 25, iat= 993, 985, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 134 ILE MD1 64 ALA HA 5.50 (# 42:25 Unique 3.42, 5.55 A)
&rst
ixpk= 42, nxpk= 25, iat= -1, 985, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2069,2070,2071,
&end
#
# 64 ALA MB 64 ALA HA 2.80 (# 43:25 Unique 2.41, 2.66 A)
&rst
ixpk= 43, nxpk= 25, iat= -1, 985, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 987, 988, 989,
&end
#
# 0 AMB 25-2:44 64 ALA HA 4.50 (# 44:25 Single Ambig)
&rst
ixpk= 44, nxpk= 25, iat= -1, 985, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 983, 849,
&end
#
# 67 PHE HN 66 ILE HA 4.50 (# 45:25 Unique 2.21, 2.26 A)
&rst
ixpk= 45, nxpk= 25, iat=1028,1011, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:46 66 ILE HA 3.50 (# 46:25 Single Ambig)
&rst
ixpk= 46, nxpk= 25, iat= -1,1011, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1019,1020,1015,1016,1017,
&end
#
# 66 ILE MD1 66 ILE HA 5.50 (# 47:25 Unique 2.47, 4.38 A)
&rst
ixpk= 47, nxpk= 25, iat= -1,1011, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1022,1023,1024,
&end
#
# 0 AMB 25-2:48 66 ILE HA 5.50 (# 48:25 Single Ambig)
&rst
ixpk= 48, nxpk= 25, iat= -1,1011, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1013,1645,1646,
&end
#
# 63 SER HN 62 LEU HA 3.50 (# 50:25 Unique 2.15, 2.22 A)
&rst
ixpk= 50, nxpk= 25, iat= 972, 955, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:51 62 LEU HA 3.50 (# 51:25 Single Ambig)
&rst
ixpk= 51, nxpk= 25, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 62 LEU HB- 62 LEU HA 5.50 (# 52:25 Unique 2.45, 2.82 A)
&rst
ixpk= 52, nxpk= 25, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 957, 958,
&end
#
# 57 ILE HA 62 LEU HA 4.50 (# 53:25 Unique 2.15, 2.27 A)
&rst
ixpk= 53, nxpk= 25, iat= 867, 955, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 ILE HG1+ 62 LEU HA 5.50 (# 54:25 Unique 2.55, 3.63 A)
&rst
ixpk= 54, nxpk= 25, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 875, 876,
&end
#
# 0 AMB 25-2:55 63 SER HA 5.50 (# 55:25 Single Ambig)
&rst
ixpk= 55, nxpk= 25, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 957, 958, 947, 948, 949,1716,1717,
&end
#
# 0 AMB 25-2:56 62 LEU HA 5.50 (# 56:25 Single Ambig)
&rst
ixpk= 56, nxpk= 25, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 957, 958, 947, 948, 949,
&end
#
# 64 ALA HN 63 SER HA 4.50 (# 57:25 Unique 2.08, 2.16 A)
&rst
ixpk= 57, nxpk= 25, iat= 983, 974, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 110 LEU HN 63 SER HA 5.50 (# 58:25 Unique 2.04, 2.38 A)
&rst
ixpk= 58, nxpk= 25, iat=1693, 974, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 110 LEU HG 63 SER HA 5.50 (# 59:25 Unique 2.33, 4.93 A)
&rst
ixpk= 59, nxpk= 25, iat=1700, 974, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 63 SER HB- 63 SER HA 5.50 (# 60:25 Unique 2.36, 2.72 A)
&rst
ixpk= 60, nxpk= 25, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 976, 977,
&end
#
# 0 AMB 25-2:61 63 SER HA 4.50 (# 61:25 Single Ambig)
&rst
ixpk= 61, nxpk= 25, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 976, 977,1686,1687,
&end
#
# 0 AMB 25-2:62 63 SER HA 5.50 (# 62:25 Single Ambig)
&rst
ixpk= 62, nxpk= 25, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1702,1703,1704,1706,1707,1708,1702,1703,1704,1706,
1707,1708,
&end
#
# 0 AMB 25-2:63 63 SER HA 5.50 (# 63:25 Single Ambig)
&rst
ixpk= 63, nxpk= 25, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1697,1698,1697,1698,
&end
#
# 109 SER HA 63 SER HA 4.50 (# 64:25 Unique 2.07, 2.23 A)
&rst
ixpk= 64, nxpk= 25, iat=1684, 974, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:65 62 LEU HA 5.50 (# 65:25 Single Ambig)
&rst
ixpk= 65, nxpk= 25, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 849, 983,
&end
#
# 63 SER HN 63 SER HA 5.50 (# 67:25 Unique 2.97, 2.98 A)
&rst
ixpk= 67, nxpk= 25, iat= 972, 974, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 GLN HN 104 GLN HA 5.50 (# 68:25 Unique 2.80, 2.92 A)
&rst
ixpk= 68, nxpk= 25, iat=1603,1605, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 LEU HN 104 GLN HA 5.50 (# 69:25 Unique 3.00, 3.47 A)
&rst
ixpk= 69, nxpk= 25, iat=1538,1605, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 GLN HG+ 104 GLN HA 5.50 (# 70:25 Unique 2.29, 2.83 A)
&rst
ixpk= 70, nxpk= 25, iat= -1,1605, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1610,1611,
&end
#
# 98 GLU HA 104 GLN HA 4.50 (# 71:25 Unique 2.03, 2.19 A)
&rst
ixpk= 71, nxpk= 25, iat=1525,1605, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 105 TYR HN 104 GLN HA 3.50 (# 72:25 Unique 2.16, 2.22 A)
&rst
ixpk= 72, nxpk= 25, iat=1620,1605, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:73 104 GLN HA 3.50 (# 73:25 Single Ambig)
&rst
ixpk= 73, nxpk= 25, iat= -1,1605, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1607,1608,1607,1608,
&end
#
# 0 AMB 25-2:74 104 GLN HA 5.50 (# 74:25 Single Ambig)
&rst
ixpk= 74, nxpk= 25, iat= -1,1605, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1527,1528,1527,1528,1238,
&end
#
# 97 GLY HN 104 GLN HA 4.50 (# 75:25 Unique 4.27, 4.49 A)
&rst
ixpk= 75, nxpk= 25, iat=1516,1605, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 105 TYR HD 104 GLN HA 5.50 (# 76:25 Unique 2.47, 5.10 A)
&rst
ixpk= 76, nxpk= 25, iat= -1,1605, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1628,1637,
&end
#
# 104 GLN HG- 104 GLN HA 5.50 (# 77:25 Unique 2.29, 2.83 A)
&rst
ixpk= 77, nxpk= 25, iat= -1,1605, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1610,1611,
&end
#
# 96 VAL HN 82 LYS HA 5.50 (# 78:25 Unique 2.81, 3.22 A)
&rst
ixpk= 78, nxpk= 25, iat=1500,1278, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 THR HA 82 LYS HA 3.50 (# 79:25 Unique 2.07, 2.17 A)
&rst
ixpk= 79, nxpk= 25, iat=1488,1278, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:80 82 LYS HA 4.50 (# 80:25 Single Ambig)
&rst
ixpk= 80, nxpk= 25, iat= -1,1278, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1492,1493,1494,1458,1459,1460,
&end
#
# 0 AMB 25-2:81 82 LYS HA 2.80 (# 81:25 Single Ambig)
&rst
ixpk= 81, nxpk= 25, iat= -1,1278, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1283,1284,1286,1287,1280,1281,
&end
#
# 82 LYS HN 82 LYS HA 5.50 (# 82:25 Unique 2.96, 2.99 A)
&rst
ixpk= 82, nxpk= 25, iat=1276,1278, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 ILE HN 82 LYS HA 3.50 (# 83:25 Unique 2.13, 2.16 A)
&rst
ixpk= 83, nxpk= 25, iat=1298,1278, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 VAL MGX 82 LYS HA 5.50 (# 84:25 Unique 3.13, 6.04 A)
&rst
ixpk= 84, nxpk= 25, iat= -1,1278, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 82 LYS HB+ 82 LYS HA 3.50 (# 85:25 Unique 2.38, 2.74 A)
&rst
ixpk= 85, nxpk= 25, iat= -1,1278, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1280,1281,
&end
#
# 74 TRP HB- 74 TRP HA 4.50 (# 87:25 Unique 2.52, 2.85 A)
&rst
ixpk= 87, nxpk= 25, iat= -1,1133, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1135,1136,
&end
#
# 74 TRP HD1 74 TRP HA 4.50 (# 88:25 Unique 2.33, 2.67 A)
&rst
ixpk= 88, nxpk= 25, iat=1139,1133, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 PRO HD+ 74 TRP HA 3.50 (# 89:25 Unique 2.06, 2.52 A)
&rst
ixpk= 89, nxpk= 25, iat= -1,1133, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1156,1157,
&end
#
# 74 TRP HN 74 TRP HA 4.50 (# 91:25 Unique 2.88, 2.93 A)
&rst
ixpk= 91, nxpk= 25, iat=1131,1133, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 PRO HD- 74 TRP HA 3.50 (# 92:25 Unique 2.06, 2.52 A)
&rst
ixpk= 92, nxpk= 25, iat= -1,1133, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1156,1157,
&end
#
# 74 TRP HB+ 74 TRP HA 4.50 (# 93:25 Unique 2.52, 2.85 A)
&rst
ixpk= 93, nxpk= 25, iat= -1,1133, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1135,1136,
&end
#
# 58 THR HN 57 ILE HA 4.50 (# 94:25 Unique 2.18, 2.25 A)
&rst
ixpk= 94, nxpk= 25, iat= 884, 867, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 ILE HG1+ 57 ILE HA 5.50 (# 96:25 Unique 2.18, 2.65 A)
&rst
ixpk= 96, nxpk= 25, iat= -1, 867, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 875, 876,
&end
#
# 0 AMB 25-2:97 57 ILE HA 4.50 (# 97:25 Single Ambig)
&rst
ixpk= 97, nxpk= 25, iat= -1, 867, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 60 TRP HB+ 60 TRP HA 3.50 (# 99:25 Unique 2.21, 2.42 A)
&rst
ixpk= 99, nxpk= 25, iat= -1, 914, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 916, 917,
&end
#
# 57 ILE HB 57 ILE HA 5.50 (# 100:25 Unique 2.42, 2.52 A)
&rst
ixpk= 100, nxpk= 25, iat= 869, 867, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:101 57 ILE HA 5.50 (# 101:25 Single Ambig)
&rst
ixpk= 101, nxpk= 25, iat= -1, 867, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 875, 876, 960,
&end
#
# 60 TRP HB- 60 TRP HA 3.50 (# 102:25 Unique 2.21, 2.42 A)
&rst
ixpk= 102, nxpk= 25, iat= -1, 914, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 916, 917,
&end
#
# 60 TRP HN 60 TRP HA 4.50 (# 103:25 Unique 2.95, 2.98 A)
&rst
ixpk= 103, nxpk= 25, iat= 912, 914, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 ILE MD1 57 ILE HA 5.50 (# 104:25 Unique 3.52, 4.49 A)
&rst
ixpk= 104, nxpk= 25, iat= -1, 867, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 878, 879, 880,
&end
#
# 95 THR HB 95 THR HA 5.50 (# 105:25 Unique 3.03, 3.04 A)
&rst
ixpk= 105, nxpk= 25, iat=1490,1488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 VAL HN 95 THR HA 3.50 (# 106:25 Unique 2.24, 2.27 A)
&rst
ixpk= 106, nxpk= 25, iat=1500,1488, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:107 95 THR HA 5.50 (# 107:25 Single Ambig)
&rst
ixpk= 107, nxpk= 25, iat= -1,1488, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1502,1263,
&end
#
# 83 ILE HN 95 THR HA 4.50 (# 108:25 Unique 3.48, 3.53 A)
&rst
ixpk= 108, nxpk= 25, iat=1298,1488, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 THR HN 95 THR HA 5.50 (# 109:25 Unique 2.91, 2.93 A)
&rst
ixpk= 109, nxpk= 25, iat=1486,1488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 THR MG2 95 THR HA 4.50 (# 110:25 Unique 2.43, 3.06 A)
&rst
ixpk= 110, nxpk= 25, iat= -1,1488, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1492,1493,1494,
&end
#
# 0 AMB 25-2:111 95 THR HA 4.50 (# 111:25 Single Ambig)
&rst
ixpk= 111, nxpk= 25, iat= -1,1488, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1286,1287,1648,
&end
#
# 96 VAL MGY 95 THR HA 4.50 (# 113:25 Unique 3.79, 5.78 A)
&rst
ixpk= 113, nxpk= 25, iat= -1,1488, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 106 LEU HB- 106 LEU HA 5.50 (# 114:25 Unique 2.61, 2.84 A)
&rst
ixpk= 114, nxpk= 25, iat= -1,1643, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1645,1646,
&end
#
# 106 LEU MDX 106 LEU HA 5.50 (# 115:25 Unique 2.20, 3.98 A)
&rst
ixpk= 115, nxpk= 25, iat= -1,1643, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1650,1651,1652,1654,1655,1656,
&end
#
# 96 VAL HA 106 LEU HA 5.50 (# 116:25 Unique 2.38, 2.55 A)
&rst
ixpk= 116, nxpk= 25, iat=1502,1643, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:117 106 LEU HA 4.50 (# 117:25 Single Ambig)
&rst
ixpk= 117, nxpk= 25, iat= -1,1643, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1648,1645,1646,
&end
#
# 106 LEU MDY 106 LEU HA 3.50 (# 118:25 Unique 2.20, 3.98 A)
&rst
ixpk= 118, nxpk= 25, iat= -1,1643, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1650,1651,1652,1654,1655,1656,
&end
#
# 107 SER HN 106 LEU HA 3.50 (# 119:25 Unique 2.16, 2.22 A)
&rst
ixpk= 119, nxpk= 25, iat=1660,1643, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 94 PHE HD 106 LEU HA 5.50 (# 120:25 Unique 4.14, 5.91 A)
&rst
ixpk= 120, nxpk= 25, iat= -1,1643, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1474,1482,
&end
#
# 105 TYR HB- 105 TYR HA 4.50 (# 121:25 Unique 2.29, 2.43 A)
&rst
ixpk= 121, nxpk= 25, iat= -1,1622, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1624,1625,
&end
#
# 105 TYR HD 105 TYR HA 4.50 (# 122:25 Unique 3.89, 4.28 A)
&rst
ixpk= 122, nxpk= 25, iat= -1,1622, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1628,1637,
&end
#
# 106 LEU HN 105 TYR HA 4.50 (# 123:25 Unique 2.40, 2.59 A)
&rst
ixpk= 123, nxpk= 25, iat=1641,1622, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 105 TYR HB+ 105 TYR HA 4.50 (# 124:25 Unique 2.29, 2.43 A)
&rst
ixpk= 124, nxpk= 25, iat= -1,1622, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1624,1625,
&end
#
# 105 TYR HN 105 TYR HA 5.50 (# 125:25 Unique 2.89, 2.91 A)
&rst
ixpk= 125, nxpk= 25, iat=1620,1622, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:126 73 LEU HA 5.50 (# 126:25 Single Ambig)
&rst
ixpk= 126, nxpk= 25, iat= -1,1114, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 57, 58, 57, 58,1099,1100,1099,1100,
&end
#
# 0 AMB 25-2:127 73 LEU HA 2.80 (# 127:25 Single Ambig)
&rst
ixpk= 127, nxpk= 25, iat= -1,1114, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1121,1122,1123,1125,1126,1127,1121,1122,1123,1125,
1126,1127,
&end
#
# 74 TRP HN 73 LEU HA 3.50 (# 128:25 Unique 2.14, 2.20 A)
&rst
ixpk= 128, nxpk= 25, iat=1131,1114, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:129 73 LEU HA 3.50 (# 129:25 Single Ambig)
&rst
ixpk= 129, nxpk= 25, iat= -1,1114, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1116,1117, 88, 89, 90,
&end
#
# 0 AMB 25-2:130 73 LEU HA 5.50 (# 130:25 Single Ambig)
&rst
ixpk= 130, nxpk= 25, iat= -1,1114, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 54, 55, 69,
&end
#
# 73 LEU HB+ 73 LEU HA 4.50 (# 131:25 Unique 2.47, 2.79 A)
&rst
ixpk= 131, nxpk= 25, iat= -1,1114, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1116,1117,
&end
#
# 73 LEU HN 73 LEU HA 5.50 (# 132:25 Unique 2.94, 2.98 A)
&rst
ixpk= 132, nxpk= 25, iat=1112,1114, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 73 LEU HG 73 LEU HA 4.50 (# 133:25 Unique 2.43, 3.42 A)
&rst
ixpk= 133, nxpk= 25, iat=1119,1114, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 141 ASN HB- 141 ASN HA 3.50 (# 135:25 Unique 2.24, 2.73 A)
&rst
ixpk= 135, nxpk= 25, iat= -1,2170, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2172,2173,
&end
#
# 0 AMB 25-2:136 141 ASN HA 4.50 (# 136:25 Single Ambig)
&rst
ixpk= 136, nxpk= 25, iat= -1,2170, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2186,2187,2186,2187,2189,2190,
&end
#
# 0 AMB 25-2:137 141 ASN HA 2.80 (# 137:25 Single Ambig)
&rst
ixpk= 137, nxpk= 25, iat= -1,2170, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2183,2184,2183,2184,
&end
#
# 141 ASN HB+ 141 ASN HA 3.50 (# 138:25 Unique 2.24, 2.73 A)
&rst
ixpk= 138, nxpk= 25, iat= -1,2170, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2172,2173,
&end
#
# 0 AMB 25-2:139 141 ASN HA 5.50 (# 139:25 Single Ambig)
&rst
ixpk= 139, nxpk= 25, iat= -1,2170, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2144,2145,2146,2148,2149,2150,2144,2145,2146,2148,
2149,2150,
&end
#
# 0 AMB 25-2:140 87 LEU HA 4.50 (# 140:25 Single Ambig)
&rst
ixpk= 140, nxpk= 25, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1367,1383,1384,
&end
#
# 85 LEU HN 85 LEU HA 4.50 (# 141:25 Unique 2.93, 2.99 A)
&rst
ixpk= 141, nxpk= 25, iat=1324,1326, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 87 LEU MDY 87 LEU HA 4.50 (# 142:25 Unique 2.54, 4.66 A)
&rst
ixpk= 142, nxpk= 25, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1369,1370,1371,1373,1374,1375,
&end
#
# 93 THR HN 92 MET HA 3.50 (# 143:25 Unique 2.27, 2.39 A)
&rst
ixpk= 143, nxpk= 25, iat=1452,1437, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:144 85 LEU HA 3.50 (# 144:25 Single Ambig)
&rst
ixpk= 144, nxpk= 25, iat= -1,1326, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1328,1329,1328,1329,
&end
#
# 86 GLN HN 85 LEU HA 3.50 (# 145:25 Unique 2.14, 2.19 A)
&rst
ixpk= 145, nxpk= 25, iat=1343,1326, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 85 LEU MDY 85 LEU HA 5.50 (# 146:25 Unique 2.17, 3.79 A)
&rst
ixpk= 146, nxpk= 25, iat= -1,1326, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1333,1334,1335,1337,1338,1339,
&end
#
# 85 LEU MDX 85 LEU HA 4.50 (# 147:25 Unique 2.17, 3.79 A)
&rst
ixpk= 147, nxpk= 25, iat= -1,1326, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1333,1334,1335,1337,1338,1339,
&end
#
# 0 AMB 25-2:148 87 LEU HA 4.50 (# 148:25 Single Ambig)
&rst
ixpk= 148, nxpk= 25, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1364,1365, 758, 759,
&end
#
# 0 AMB 25-2:149 0 AMB 25-1:149 3.50 (# 149:25 Double Ambig)
&rst
ixpk= 149, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1192,1193,1439,1440,
igr2=1190,1437,
&end
#
# 122 GLU HN 119 SER HA 5.50 (# 150:25 Unique 4.55, 4.69 A)
&rst
ixpk= 150, nxpk= 25, iat=1874,1831, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:151 37 SER HA 3.50 (# 151:25 Single Ambig)
&rst
ixpk= 151, nxpk= 25, iat= -1, 565, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 567, 568, 592, 593,
&end
#
# 37 SER HB+ 37 SER HA 3.50 (# 152:25 Unique 2.32, 2.71 A)
&rst
ixpk= 152, nxpk= 25, iat= -1, 565, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 567, 568,
&end
#
# 37 SER HN 37 SER HA 4.50 (# 153:25 Unique 2.24, 2.85 A)
&rst
ixpk= 153, nxpk= 25, iat= 563, 565, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 MET HN 37 SER HA 5.50 (# 154:25 Unique 2.61, 3.19 A)
&rst
ixpk= 154, nxpk= 25, iat= 574, 565, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:155 77 ARG HA 3.50 (# 155:25 Single Ambig)
&rst
ixpk= 155, nxpk= 25, iat= -1,1190, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1192,1193,1176,
&end
#
# 0 AMB 25-2:156 77 ARG HA 3.50 (# 156:25 Single Ambig)
&rst
ixpk= 156, nxpk= 25, iat= -1,1190, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1195,1196,1195,1196,
&end
#
# 0 AMB 25-2:157 0 AMB 25-1:157 3.50 (# 157:25 Double Ambig)
&rst
ixpk= 157, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 817,1829,
igr2= 795,1831,
&end
#
# 119 SER HB- 119 SER HA 4.50 (# 158:25 Unique 2.40, 2.57 A)
&rst
ixpk= 158, nxpk= 25, iat= -1,1831, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1833,1834,
&end
#
# 0 AMB 25-2:159 77 ARG HA 2.80 (# 159:25 Single Ambig)
&rst
ixpk= 159, nxpk= 25, iat= -1,1190, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1188,1212,
&end
#
# 120 ILE HN 119 SER HA 3.50 (# 160:25 Unique 2.28, 2.48 A)
&rst
ixpk= 160, nxpk= 25, iat=1840,1831, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:161 75 PRO HA 4.50 (# 161:25 Single Ambig)
&rst
ixpk= 161, nxpk= 25, iat= -1,1165, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1173,1174,1195,1196,1195,1196,
&end
#
# 76 LEU HB- 75 PRO HA 5.50 (# 162:25 Unique 4.44, 4.75 A)
&rst
ixpk= 162, nxpk= 25, iat= -1,1165, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1173,1174,
&end
#
# 10 THR MG2 10 THR HA 3.50 (# 163:25 Unique 2.37, 3.09 A)
&rst
ixpk= 163, nxpk= 25, iat= -1, 140, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 144, 145, 146,
&end
#
# 0 AMB 25-2:164 75 PRO HA 5.50 (# 164:25 Single Ambig)
&rst
ixpk= 164, nxpk= 25, iat= -1,1165, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1159,1160,1159,1160,
&end
#
# 76 LEU HN 75 PRO HA 3.50 (# 165:25 Unique 2.25, 2.34 A)
&rst
ixpk= 165, nxpk= 25, iat=1169,1165, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 75 PRO HB+ 75 PRO HA 3.50 (# 166:25 Unique 2.30, 2.60 A)
&rst
ixpk= 166, nxpk= 25, iat= -1,1165, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1162,1163,
&end
#
# 10 THR HB 10 THR HA 4.50 (# 167:25 Unique 2.40, 2.57 A)
&rst
ixpk= 167, nxpk= 25, iat= 142, 140, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 11 SER HN 10 THR HA 4.50 (# 168:25 Unique 2.37, 2.58 A)
&rst
ixpk= 168, nxpk= 25, iat= 152, 140, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:169 75 PRO HA 3.50 (# 169:25 Single Ambig)
&rst
ixpk= 169, nxpk= 25, iat= -1,1165, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1162,1163, 54, 55,
&end
#
# 10 THR HN 10 THR HA 5.50 (# 170:25 Unique 2.80, 2.92 A)
&rst
ixpk= 170, nxpk= 25, iat= 138, 140, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:171 75 PRO HA 4.50 (# 171:25 Single Ambig)
&rst
ixpk= 171, nxpk= 25, iat= -1,1165, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 57, 58, 57, 58,
&end
#
# 0 AMB 25-2:172 6 ALA HA 3.50 (# 172:25 Single Ambig)
&rst
ixpk= 172, nxpk= 25, iat= -1, 86, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1121,1122,1123,1125,1126,1127,1121,1122,1123,1125,
1126,1127,
&end
#
# 5 ILE HN 75 PRO HA 5.50 (# 173:25 Unique 3.82, 4.14 A)
&rst
ixpk= 173, nxpk= 25, iat= 65,1165, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:174 6 ALA HA 5.50 (# 174:25 Single Ambig)
&rst
ixpk= 174, nxpk= 25, iat= -1, 86, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 96, 97, 67,
&end
#
# 7 GLY HN 6 ALA HA 2.80 (# 175:25 Unique 2.14, 2.23 A)
&rst
ixpk= 175, nxpk= 25, iat= 94, 86, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 6 ALA MB 6 ALA HA 2.80 (# 176:25 Unique 2.44, 2.65 A)
&rst
ixpk= 176, nxpk= 25, iat= -1, 86, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 88, 89, 90,
&end
#
# 6 ALA HN 6 ALA HA 3.50 (# 177:25 Unique 2.84, 2.94 A)
&rst
ixpk= 177, nxpk= 25, iat= 84, 86, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 39 PRO HB- 38 MET HA 4.50 (# 178:25 Unique 4.60, 5.24 A)
&rst
ixpk= 178, nxpk= 25, iat= -1, 576, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 598, 599,
&end
#
# 69 GLY HN 51 GLN HA 5.50 (# 179:25 Unique 2.51, 2.94 A)
&rst
ixpk= 179, nxpk= 25, iat=1062, 778, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:180 51 GLN HA 4.50 (# 180:25 Single Ambig)
&rst
ixpk= 180, nxpk= 25, iat= -1, 778, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 780, 781, 783, 784,
&end
#
# 51 GLN HN 51 GLN HA 5.50 (# 181:25 Unique 2.93, 2.97 A)
&rst
ixpk= 181, nxpk= 25, iat= 776, 778, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 TRP HN 51 GLN HA 4.50 (# 182:25 Unique 2.22, 2.31 A)
&rst
ixpk= 182, nxpk= 25, iat= 793, 778, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 TYR HB- 41 TYR HA 5.50 (# 183:25 Unique 2.37, 2.73 A)
&rst
ixpk= 183, nxpk= 25, iat= -1, 623, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 625, 626,
&end
#
# 98 GLU HN 97 GLY HA+ 4.50 (# 184:25 Unique 2.31, 2.70 A)
&rst
ixpk= 184, nxpk= 25, iat=1523, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1518,1519,
&end
#
# 97 GLY HN 97 GLY HA+ 5.50 (# 185:25 Unique 2.42, 2.74 A)
&rst
ixpk= 185, nxpk= 25, iat=1516, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1518,1519,
&end
#
# 0 AMB 25-2:186 108 CYS HA 5.50 (# 186:25 Single Ambig)
&rst
ixpk= 186, nxpk= 25, iat= -1,1673, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 976, 977,1686,1687,1686,1687,
&end
#
# 79 VAL MGX 97 GLY HA+ 5.50 (# 187:25 Unique 2.05, 5.00 A)
&rst
ixpk= 187, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1240,1241,1242,1244,1245,1246,
igr2=1518,1519,
&end
#
# 0 AMB 25-2:188 38 MET HA 4.50 (# 188:25 Single Ambig)
&rst
ixpk= 188, nxpk= 25, iat= -1, 576, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 595, 596, 595, 596,1816,1817, 556, 557,1903,1904,
&end
#
# 42 VAL MGX 41 TYR HA 5.50 (# 189:25 Unique 3.19, 5.44 A)
&rst
ixpk= 189, nxpk= 25, iat= -1, 623, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 648, 649, 650, 652, 653, 654,
&end
#
# 39 PRO HD- 38 MET HA 3.50 (# 190:25 Unique 2.07, 2.44 A)
&rst
ixpk= 190, nxpk= 25, iat= -1, 576, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 592, 593,
&end
#
# 48 PHE HN 48 PHE HA 4.50 (# 191:25 Unique 2.84, 2.93 A)
&rst
ixpk= 191, nxpk= 25, iat= 734, 736, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:192 0 AMB 25-1:192 5.50 (# 192:25 Double Ambig)
&rst
ixpk= 192, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=1490,1664,1665,2390,2391,
igr2=1673,2370,
&end
#
# 0 AMB 25-2:193 48 PHE HA 5.50 (# 193:25 Single Ambig)
&rst
ixpk= 193, nxpk= 25, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 761, 762, 758, 759, 823, 824, 825,
&end
#
# 0 AMB 25-2:194 0 AMB 25-1:194 3.50 (# 194:25 Double Ambig)
&rst
ixpk= 194, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.53, r4= 7.28,
igr1= 648, 649, 650, 652, 653, 654, 611, 612, 613, 615,
616, 617, 871, 872, 873,2084,2085,2086,2088,2089,
2090,
igr2= 623, 736,
&end
#
# 48 PHE HB- 48 PHE HA 4.50 (# 195:25 Unique 2.25, 2.68 A)
&rst
ixpk= 195, nxpk= 25, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 738, 739,
&end
#
# 41 TYR HB+ 41 TYR HA 5.50 (# 196:25 Unique 2.37, 2.73 A)
&rst
ixpk= 196, nxpk= 25, iat= -1, 623, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 625, 626,
&end
#
# 108 CYS HB+ 108 CYS HA 4.50 (# 197:25 Unique 2.38, 2.73 A)
&rst
ixpk= 197, nxpk= 25, iat= -1,1673, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1675,1676,
&end
#
# 49 GLU HN 48 PHE HA 3.50 (# 198:25 Unique 2.17, 2.63 A)
&rst
ixpk= 198, nxpk= 25, iat= 754, 736, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 108 CYS HB- 108 CYS HA 4.50 (# 199:25 Unique 2.38, 2.73 A)
&rst
ixpk= 199, nxpk= 25, iat= -1,1673, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1675,1676,
&end
#
# 42 VAL HN 41 TYR HA 2.80 (# 200:25 Unique 2.30, 2.36 A)
&rst
ixpk= 200, nxpk= 25, iat= 642, 623, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 48 PHE HD 48 PHE HA 3.50 (# 201:25 Unique 2.61, 3.71 A)
&rst
ixpk= 201, nxpk= 25, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 742, 750,
&end
#
# 47 LEU MDX 47 LEU HA 4.50 (# 202:25 Unique 2.10, 3.86 A)
&rst
ixpk= 202, nxpk= 25, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 724, 725, 726, 728, 729, 730,
&end
#
# 47 LEU HG 47 LEU HA 5.50 (# 203:25 Unique 2.57, 2.91 A)
&rst
ixpk= 203, nxpk= 25, iat= 722, 717, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 49 GLU HA 48 PHE HA 5.50 (# 204:25 Unique 4.25, 4.41 A)
&rst
ixpk= 204, nxpk= 25, iat= 756, 736, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 LEU HB- 47 LEU HA 4.50 (# 205:25 Unique 2.52, 2.81 A)
&rst
ixpk= 205, nxpk= 25, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 719, 720,
&end
#
# 0 AMB 25-2:206 47 LEU HA 5.50 (# 206:25 Single Ambig)
&rst
ixpk= 206, nxpk= 25, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 738, 739, 797, 798,1070,1071,
&end
#
# 17 GLN HE2- 41 TYR HA 5.50 (# 208:25 Unique 2.55, 3.38 A)
&rst
ixpk= 208, nxpk= 25, iat= -1, 623, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 254, 255,
&end
#
# 0 AMB 25-2:209 47 LEU HA 3.50 (# 209:25 Single Ambig)
&rst
ixpk= 209, nxpk= 25, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 734, 715,
&end
#
# 0 AMB 25-2:210 47 LEU HA 5.50 (# 210:25 Single Ambig)
&rst
ixpk= 210, nxpk= 25, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 719, 720, 707, 708, 709,
&end
#
# 143 ASP HB+ 143 ASP HA 2.80 (# 211:25 Unique 2.41, 2.74 A)
&rst
ixpk= 211, nxpk= 25, iat= -1,2198, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2200,2201,
&end
#
# 143 ASP HN 143 ASP HA 3.50 (# 212:25 Unique 2.83, 2.88 A)
&rst
ixpk= 212, nxpk= 25, iat=2196,2198, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:214 143 ASP HA 4.50 (# 214:25 Single Ambig)
&rst
ixpk= 214, nxpk= 25, iat= -1,2198, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2214,2215,2216,2218,2219,2220,2214,2215,2216,2218,
2219,2220,
&end
#
# 143 ASP HB- 143 ASP HA 2.80 (# 215:25 Unique 2.41, 2.74 A)
&rst
ixpk= 215, nxpk= 25, iat= -1,2198, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2200,2201,
&end
#
# 144 VAL HN 143 ASP HA 3.50 (# 216:25 Unique 2.19, 2.49 A)
&rst
ixpk= 216, nxpk= 25, iat=2208,2198, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:217 143 ASP HA 5.50 (# 217:25 Single Ambig)
&rst
ixpk= 217, nxpk= 25, iat= -1,2198, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2186,2187,2186,2187,2189,2190,
&end
#
# 50 GLY HN 48 PHE HA 5.50 (# 218:25 Unique 3.48, 4.03 A)
&rst
ixpk= 218, nxpk= 25, iat= 769, 736, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 154 PHE HD 154 PHE HA 3.50 (# 219:25 Unique 2.34, 3.62 A)
&rst
ixpk= 219, nxpk= 25, iat= -1,2370, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2376,2384,
&end
#
# 0 AMB 25-2:220 108 CYS HA 5.50 (# 220:25 Single Ambig)
&rst
ixpk= 220, nxpk= 25, iat= -1,1673, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1664,1665,1686,1687,1686,1687,
&end
#
# 154 PHE HB+ 154 PHE HA 3.50 (# 221:25 Unique 2.32, 2.69 A)
&rst
ixpk= 221, nxpk= 25, iat= -1,2370, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2372,2373,
&end
#
# 154 PHE HB- 154 PHE HA 3.50 (# 222:25 Unique 2.32, 2.69 A)
&rst
ixpk= 222, nxpk= 25, iat= -1,2370, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2372,2373,
&end
#
# 155 GLY HN 154 PHE HA 5.50 (# 223:25 Unique 2.20, 2.98 A)
&rst
ixpk= 223, nxpk= 25, iat=2388,2370, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:224 154 PHE HA 4.50 (# 224:25 Single Ambig)
&rst
ixpk= 224, nxpk= 25, iat= -1,2370, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2368,2349,
&end
#
# 0 AMB 25-2:225 0 AMB 25-1:225 5.50 (# 225:25 Double Ambig)
&rst
ixpk= 225, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1=1490,1664,1665,1664,1665,2390,2391,
igr2=1673,2370,
&end
#
# 138 PRO HD+ 137 LEU HA 3.50 (# 226:25 Unique 2.05, 2.59 A)
&rst
ixpk= 226, nxpk= 25, iat= -1,2107, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2125,2126,
&end
#
# 35 HIS HB- 35 HIS HA 2.80 (# 227:25 Unique 2.33, 2.66 A)
&rst
ixpk= 227, nxpk= 25, iat= -1, 534, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 536, 537,
&end
#
# 35 HIS HB+ 35 HIS HA 2.80 (# 228:25 Unique 2.33, 2.66 A)
&rst
ixpk= 228, nxpk= 25, iat= -1, 534, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 536, 537,
&end
#
# 35 HIS HN 35 HIS HA 3.50 (# 230:25 Unique 2.85, 2.93 A)
&rst
ixpk= 230, nxpk= 25, iat= 532, 534, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:231 39 PRO HA 5.50 (# 231:25 Single Ambig)
&rst
ixpk= 231, nxpk= 25, iat= -1, 601, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 611, 612, 613, 615, 616, 617, 871, 872, 873,
&end
#
# 0 AMB 25-2:233 146 HIS HA 2.80 (# 233:25 Single Ambig)
&rst
ixpk= 233, nxpk= 25, iat= -1,2240, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2242,2243,2242,2243,
&end
#
# 40 VAL HN 39 PRO HA 3.50 (# 234:25 Unique 2.01, 2.25 A)
&rst
ixpk= 234, nxpk= 25, iat= 605, 601, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:235 137 LEU HA 5.50 (# 235:25 Single Ambig)
&rst
ixpk= 235, nxpk= 25, iat= -1,2107, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2079,2080,2079,2080,1383,1384,
&end
#
# 39 PRO HB+ 39 PRO HA 3.50 (# 236:25 Unique 2.29, 2.53 A)
&rst
ixpk= 236, nxpk= 25, iat= -1, 601, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 598, 599,
&end
#
# 0 AMB 25-2:237 39 PRO HA 3.50 (# 237:25 Single Ambig)
&rst
ixpk= 237, nxpk= 25, iat= -1, 601, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 598, 599, 553, 554, 553, 554,
&end
#
# 0 AMB 25-2:238 39 PRO HA 3.50 (# 238:25 Single Ambig)
&rst
ixpk= 238, nxpk= 25, iat= -1, 601, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 556, 557, 595, 596, 595, 596,
&end
#
# 0 AMB 25-2:239 137 LEU HA 3.50 (# 239:25 Single Ambig)
&rst
ixpk= 239, nxpk= 25, iat= -1,2107, r1= 0.00, r2= 1.80, r3= 5.37, r4= 6.12,
igr1=2114,2115,2116,2118,2119,2120,2114,2115,2116,2118,
2119,2120,2112,
&end
#
# 137 LEU HB- 137 LEU HA 3.50 (# 240:25 Unique 2.15, 2.66 A)
&rst
ixpk= 240, nxpk= 25, iat= -1,2107, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2109,2110,
&end
#
# 137 LEU HN 137 LEU HA 5.50 (# 241:25 Unique 2.18, 2.64 A)
&rst
ixpk= 241, nxpk= 25, iat=2105,2107, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:242 137 LEU HA 4.50 (# 242:25 Single Ambig)
&rst
ixpk= 242, nxpk= 25, iat= -1,2107, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1383,1384,2128,2129,2128,2129,
&end
#
# 0 AMB 25-2:243 137 LEU HA 3.50 (# 243:25 Single Ambig)
&rst
ixpk= 243, nxpk= 25, iat= -1,2107, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2125,2126,2041,
&end
#
# 86 GLN HN 86 GLN HA 5.50 (# 244:25 Unique 2.92, 2.97 A)
&rst
ixpk= 244, nxpk= 25, iat=1343,1345, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:245 86 GLN HA 2.80 (# 245:25 Single Ambig)
&rst
ixpk= 245, nxpk= 25, iat= -1,1345, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1347,1348,1347,1348,
&end
#
# 87 LEU HN 86 GLN HA 3.50 (# 246:25 Unique 2.19, 2.24 A)
&rst
ixpk= 246, nxpk= 25, iat=1360,1345, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 ILE MD1 20 PHE HA 4.50 (# 247:25 Unique 2.24, 3.71 A)
&rst
ixpk= 247, nxpk= 25, iat= -1, 281, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 342, 343, 344,
&end
#
# 20 PHE HD 20 PHE HA 3.50 (# 248:25 Unique 2.36, 3.28 A)
&rst
ixpk= 248, nxpk= 25, iat= -1, 281, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 287, 295,
&end
#
# 23 ILE HB 20 PHE HA 4.50 (# 249:25 Unique 2.07, 2.21 A)
&rst
ixpk= 249, nxpk= 25, iat= 333, 281, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 ILE HN 20 PHE HA 5.50 (# 250:25 Unique 2.81, 3.10 A)
&rst
ixpk= 250, nxpk= 25, iat= 329, 281, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:251 86 GLN HA 4.50 (# 251:25 Single Ambig)
&rst
ixpk= 251, nxpk= 25, iat= -1,1345, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1435,1324,
&end
#
# 0 AMB 25-2:252 20 PHE HA 4.50 (# 252:25 Single Ambig)
&rst
ixpk= 252, nxpk= 25, iat= -1, 281, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 283, 284, 283, 284,
&end
#
# 20 PHE HN 20 PHE HA 4.50 (# 253:25 Unique 2.86, 2.88 A)
&rst
ixpk= 253, nxpk= 25, iat= 279, 281, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:255 110 LEU HA 4.50 (# 255:25 Single Ambig)
&rst
ixpk= 255, nxpk= 25, iat= -1,1695, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1697,1698,1697,1698,
&end
#
# 0 AMB 25-2:256 109 SER HA 5.50 (# 256:25 Single Ambig)
&rst
ixpk= 256, nxpk= 25, iat= -1,1684, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 947, 948, 949,1716,1717,
&end
#
# 0 AMB 25-2:258 20 PHE HA 5.50 (# 258:25 Single Ambig)
&rst
ixpk= 258, nxpk= 25, iat= -1, 281, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 339, 340, 352, 353, 354,
&end
#
# 0 AMB 25-2:259 20 PHE HA 5.50 (# 259:25 Single Ambig)
&rst
ixpk= 259, nxpk= 25, iat= -1, 281, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 348, 299,
&end
#
# 23 ILE MG2 20 PHE HA 5.50 (# 260:25 Unique 3.99, 4.54 A)
&rst
ixpk= 260, nxpk= 25, iat= -1, 281, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 335, 336, 337,
&end
#
# 110 LEU HG 110 LEU HA 4.50 (# 261:25 Unique 3.03, 3.18 A)
&rst
ixpk= 261, nxpk= 25, iat=1700,1695, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:262 0 AMB 25-1:262 4.50 (# 262:25 Double Ambig)
&rst
ixpk= 262, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1364,1365, 957, 958,
igr2=1345,1695,
&end
#
# 86 GLN HG- 86 GLN HA 4.50 (# 263:25 Unique 2.54, 3.18 A)
&rst
ixpk= 263, nxpk= 25, iat= -1,1345, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1350,1351,
&end
#
# 10 THR HN 8 PHE HA 5.50 (# 264:25 Unique 3.26, 4.20 A)
&rst
ixpk= 264, nxpk= 25, iat= 138, 103, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 9 GLN HN 8 PHE HA 3.50 (# 265:25 Unique 2.18, 2.52 A)
&rst
ixpk= 265, nxpk= 25, iat= 121, 103, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 110 LEU HN 109 SER HA 3.50 (# 266:25 Unique 2.13, 2.18 A)
&rst
ixpk= 266, nxpk= 25, iat=1693,1684, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:267 109 SER HA 5.50 (# 267:25 Single Ambig)
&rst
ixpk= 267, nxpk= 25, iat= -1,1684, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1702,1703,1704,1706,1707,1708,1702,1703,1704,1706,
1707,1708,
&end
#
# 0 AMB 25-2:268 109 SER HA 3.50 (# 268:25 Single Ambig)
&rst
ixpk= 268, nxpk= 25, iat= -1,1684, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 976, 977,1686,1687,1686,1687,
&end
#
# 63 SER HA 109 SER HA 4.50 (# 269:25 Unique 2.07, 2.23 A)
&rst
ixpk= 269, nxpk= 25, iat= 974,1684, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 111 MET HN 109 SER HA 5.50 (# 270:25 Unique 3.62, 4.11 A)
&rst
ixpk= 270, nxpk= 25, iat=1712,1684, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:271 109 SER HA 5.50 (# 271:25 Single Ambig)
&rst
ixpk= 271, nxpk= 25, iat= -1,1684, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1682, 983,
&end
#
# 0 AMB 25-2:272 0 AMB 25-1:272 4.50 (# 272:25 Double Ambig)
&rst
ixpk= 272, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 101,2005,
igr2= 103,1984,
&end
#
# 110 LEU HN 110 LEU HA 5.50 (# 273:25 Unique 2.93, 2.97 A)
&rst
ixpk= 273, nxpk= 25, iat=1693,1695, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 8 PHE HB+ 8 PHE HA 4.50 (# 274:25 Unique 2.36, 2.74 A)
&rst
ixpk= 274, nxpk= 25, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 105, 106,
&end
#
# 0 AMB 25-2:275 129 ASP HA 4.50 (# 275:25 Single Ambig)
&rst
ixpk= 275, nxpk= 25, iat= -1,1984, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2025,2026,2025,2026,
&end
#
# 0 AMB 25-2:276 0 AMB 25-1:276 5.50 (# 276:25 Double Ambig)
&rst
ixpk= 276, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2043,2044, 154,
igr2=1984, 103,
&end
#
# 129 ASP HB- 129 ASP HA 3.50 (# 278:25 Unique 2.43, 2.74 A)
&rst
ixpk= 278, nxpk= 25, iat= -1,1984, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1986,1987,
&end
#
# 129 ASP HB+ 129 ASP HA 3.50 (# 279:25 Unique 2.43, 2.74 A)
&rst
ixpk= 279, nxpk= 25, iat= -1,1984, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1986,1987,
&end
#
# 129 ASP HN 129 ASP HA 3.50 (# 280:25 Unique 2.78, 2.82 A)
&rst
ixpk= 280, nxpk= 25, iat=1982,1984, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:281 129 ASP HA 4.50 (# 281:25 Single Ambig)
&rst
ixpk= 281, nxpk= 25, iat= -1,1984, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2022,2023,2019,2020,
&end
#
# 29 HIS HB- 29 HIS HA 3.50 (# 282:25 Unique 2.28, 2.71 A)
&rst
ixpk= 282, nxpk= 25, iat= -1, 436, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 438, 439,
&end
#
# 29 HIS HB+ 29 HIS HA 3.50 (# 283:25 Unique 2.28, 2.71 A)
&rst
ixpk= 283, nxpk= 25, iat= -1, 436, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 438, 439,
&end
#
# 0 AMB 25-2:284 129 ASP HA 5.50 (# 284:25 Single Ambig)
&rst
ixpk= 284, nxpk= 25, iat= -1,1984, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1939,2017,
&end
#
# 29 HIS HN 29 HIS HA 5.50 (# 285:25 Unique 2.22, 2.83 A)
&rst
ixpk= 285, nxpk= 25, iat= 434, 436, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 LEU MDX 29 HIS HA 4.50 (# 286:25 Unique 3.52, 6.85 A)
&rst
ixpk= 286, nxpk= 25, iat= -1, 436, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 472, 473, 474, 476, 477, 478,
&end
#
# 131 ALA HN 129 ASP HA 4.50 (# 287:25 Unique 4.07, 4.32 A)
&rst
ixpk= 287, nxpk= 25, iat=2005,1984, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 132 ARG HN 129 ASP HA 5.50 (# 288:25 Unique 3.21, 3.43 A)
&rst
ixpk= 288, nxpk= 25, iat=2015,1984, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 132 ARG HG+ 129 ASP HA 5.50 (# 289:25 Unique 2.02, 3.02 A)
&rst
ixpk= 289, nxpk= 25, iat= -1,1984, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2022,2023,
&end
#
# 128 ASP HN 127 THR HB 5.50 (# 290:25 Unique 2.38, 2.61 A)
&rst
ixpk= 290, nxpk= 25, iat=1970,1960, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 MET HB- 111 MET HA 3.50 (# 291:25 Unique 2.27, 2.66 A)
&rst
ixpk= 291, nxpk= 25, iat= -1,1714, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1716,1717,
&end
#
# 112 SER HN 111 MET HA 2.80 (# 292:25 Unique 2.22, 2.41 A)
&rst
ixpk= 292, nxpk= 25, iat=1729,1714, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:293 129 ASP HA 5.50 (# 293:25 Single Ambig)
&rst
ixpk= 293, nxpk= 25, iat= -1,1984, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2041,2007,
&end
#
# 41 TYR HE 127 THR HB 5.50 (# 294:25 Unique 2.19, 4.66 A)
&rst
ixpk= 294, nxpk= 25, iat= -1,1960, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 631, 636,
&end
#
# 111 MET HN 111 MET HA 4.50 (# 295:25 Unique 2.79, 2.93 A)
&rst
ixpk= 295, nxpk= 25, iat=1712,1714, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 127 THR HN 127 THR HB 5.50 (# 296:25 Unique 2.45, 2.64 A)
&rst
ixpk= 296, nxpk= 25, iat=1956,1960, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:297 0 AMB 25-1:297 5.50 (# 297:25 Double Ambig)
&rst
ixpk= 297, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1386,1387,2043,2044,
igr2=2096,1984,
&end
#
# 0 AMB 25-2:298 27 SER HA 2.80 (# 298:25 Single Ambig)
&rst
ixpk= 298, nxpk= 25, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 410, 411, 410, 411,
&end
#
# 0 AMB 25-2:299 27 SER HA 3.50 (# 299:25 Single Ambig)
&rst
ixpk= 299, nxpk= 25, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 406, 417,
&end
#
# 137 LEU HN 136 SER HA 4.50 (# 300:25 Unique 2.40, 2.73 A)
&rst
ixpk= 300, nxpk= 25, iat=2105,2096, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:301 0 AMB 25-1:301 2.80 (# 301:25 Double Ambig)
&rst
ixpk= 301, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 673, 674,1719,1720,1719,1720,
igr2= 671,1714,
&end
#
# 127 THR MG2 127 THR HB 5.50 (# 302:25 Unique 2.41, 2.66 A)
&rst
ixpk= 302, nxpk= 25, iat= -1,1960, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1962,1963,1964,
&end
#
# 13 LYS HG+ 44 ASP HA 5.50 (# 304:25 Unique 4.62, 5.94 A)
&rst
ixpk= 304, nxpk= 25, iat= -1, 671, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 184, 185,
&end
#
# 138 PRO HB+ 138 PRO HA 2.80 (# 305:25 Unique 2.29, 2.54 A)
&rst
ixpk= 305, nxpk= 25, iat= -1,2134, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2131,2132,
&end
#
# 0 AMB 25-2:306 0 AMB 25-1:306 3.50 (# 306:25 Double Ambig)
&rst
ixpk= 306, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 187, 188, 187, 188,1700,
igr2= 671,1714,
&end
#
# 44 ASP HB+ 44 ASP HA 3.50 (# 307:25 Unique 2.28, 2.61 A)
&rst
ixpk= 307, nxpk= 25, iat= -1, 671, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 673, 674,
&end
#
# 0 AMB 25-2:308 0 AMB 25-1:308 2.80 (# 308:25 Double Ambig)
&rst
ixpk= 308, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 609,2131,2132,
igr2= 607,2134,
&end
#
# 0 AMB 25-2:309 0 AMB 25-1:309 5.50 (# 309:25 Double Ambig)
&rst
ixpk= 309, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 899, 900,2125,2126,
igr2= 607,2134,
&end
#
# 0 AMB 25-2:310 40 VAL HA 5.50 (# 310:25 Single Ambig)
&rst
ixpk= 310, nxpk= 25, iat= -1, 607, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 625, 626, 902, 903, 306, 307,
&end
#
# 120 ILE HB 119 SER HB+ 5.50 (# 311:25 Unique 4.15, 5.63 A)
&rst
ixpk= 311, nxpk= 25, iat=1844, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1833,1834,
&end
#
# 45 PHE HN 44 ASP HA 3.50 (# 312:25 Unique 2.23, 2.30 A)
&rst
ixpk= 312, nxpk= 25, iat= 681, 671, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:313 0 AMB 25-1:313 2.80 (# 313:25 Double Ambig)
&rst
ixpk= 313, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 871, 872, 873,2144,2145,2146,2148,2149,2150,2144,
2145,2146,2148,2149,2150,
igr2= 607,2134,
&end
#
# 41 TYR HN 40 VAL HA 3.50 (# 314:25 Unique 2.17, 2.27 A)
&rst
ixpk= 314, nxpk= 25, iat= 621, 607, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 136 SER HN 136 SER HA 5.50 (# 316:25 Unique 2.17, 2.46 A)
&rst
ixpk= 316, nxpk= 25, iat=2094,2096, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 THR MG2 40 VAL HA 5.50 (# 317:25 Unique 2.59, 4.66 A)
&rst
ixpk= 317, nxpk= 25, iat= -1, 607, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 890, 891, 892,
&end
#
# 40 VAL HN 40 VAL HA 5.50 (# 319:25 Unique 2.21, 2.83 A)
&rst
ixpk= 319, nxpk= 25, iat= 605, 607, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 159 GLY HN 158 SER HA 5.50 (# 320:25 Unique 2.20, 2.73 A)
&rst
ixpk= 320, nxpk= 25, iat=2454,2445, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:321 158 SER HA 2.80 (# 321:25 Single Ambig)
&rst
ixpk= 321, nxpk= 25, iat= -1,2445, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2447,2448,2447,2448,
&end
#
# 45 PHE HB+ 44 ASP HA 4.50 (# 322:25 Unique 4.14, 5.05 A)
&rst
ixpk= 322, nxpk= 25, iat= -1, 671, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 685, 686,
&end
#
# 0 AMB 25-2:323 0 AMB 25-1:323 5.50 (# 323:25 Double Ambig)
&rst
ixpk= 323, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1850,1851,1850,1851,
igr2=1833,1834,1833,1834,
&end
#
# 119 SER HN 119 SER HB+ 5.50 (# 324:25 Unique 2.45, 3.37 A)
&rst
ixpk= 324, nxpk= 25, iat=1829, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1833,1834,
&end
#
# 0 AMB 25-2:325 0 AMB 25-1:325 5.50 (# 325:25 Double Ambig)
&rst
ixpk= 325, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1842,1891,1892,
igr2=1833,1834,1833,1834,
&end
#
# 0 AMB 25-2:326 0 AMB 25-1:326 5.50 (# 326:25 Double Ambig)
&rst
ixpk= 326, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1840,1859,
igr2=1833,1834,1833,1834,
&end
#
# 0 AMB 25-2:327 0 AMB 25-1:327 2.80 (# 327:25 Double Ambig)
&rst
ixpk= 327, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1112, 463,
igr2=1097, 419,
&end
#
# 0 AMB 25-2:328 0 AMB 25-1:328 2.80 (# 328:25 Double Ambig)
&rst
ixpk= 328, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
igr1=2402,2403,2402,2403,2426,2427,2426,2427,2426,2427,
igr2=2397,2421,
&end
#
# 14 ALA MB 12 PRO HA 5.50 (# 330:25 Unique 4.60, 5.98 A)
&rst
ixpk= 330, nxpk= 25, iat= -1, 173, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 203, 204, 205,
&end
#
# 14 ALA HN 12 PRO HA 5.50 (# 331:25 Unique 3.74, 4.08 A)
&rst
ixpk= 331, nxpk= 25, iat= 199, 173, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:332 83 ILE HA 5.50 (# 332:25 Single Ambig)
&rst
ixpk= 332, nxpk= 25, iat= -1,1300, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1324,1500,
&end
#
# 0 AMB 25-2:333 72 GLN HA 2.80 (# 333:25 Single Ambig)
&rst
ixpk= 333, nxpk= 25, iat= -1,1097, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1102,1103,1099,1100,1099,1100,
&end
#
# 83 ILE HG1- 83 ILE HA 5.50 (# 334:25 Unique 2.55, 3.53 A)
&rst
ixpk= 334, nxpk= 25, iat= -1,1300, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1308,1309,
&end
#
# 83 ILE HN 83 ILE HA 4.50 (# 335:25 Unique 2.98, 2.99 A)
&rst
ixpk= 335, nxpk= 25, iat=1298,1300, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 82 LYS HA 83 ILE HA 5.50 (# 336:25 Unique 4.36, 4.45 A)
&rst
ixpk= 336, nxpk= 25, iat=1278,1300, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 72 GLN HN 72 GLN HA 3.50 (# 337:25 Unique 2.89, 2.95 A)
&rst
ixpk= 337, nxpk= 25, iat=1095,1097, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 ILE MD1 83 ILE HA 3.50 (# 338:25 Unique 2.26, 3.27 A)
&rst
ixpk= 338, nxpk= 25, iat= -1,1300, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1311,1312,1313,
&end
#
# 84 GLY HA- 83 ILE HA 5.50 (# 339:25 Unique 4.42, 4.49 A)
&rst
ixpk= 339, nxpk= 25, iat= -1,1300, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1319,1320,
&end
#
# 83 ILE MG2 83 ILE HA 3.50 (# 340:25 Unique 2.48, 3.15 A)
&rst
ixpk= 340, nxpk= 25, iat= -1,1300, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1304,1305,1306,
&end
#
# 83 ILE HB 83 ILE HA 3.50 (# 341:25 Unique 3.04, 3.05 A)
&rst
ixpk= 341, nxpk= 25, iat=1302,1300, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 GLY HN 83 ILE HA 2.80 (# 342:25 Unique 2.20, 2.23 A)
&rst
ixpk= 342, nxpk= 25, iat=1317,1300, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 83 ILE HG1+ 83 ILE HA 4.50 (# 343:25 Unique 2.55, 3.53 A)
&rst
ixpk= 343, nxpk= 25, iat= -1,1300, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1308,1309,
&end
#
# 12 PRO HB+ 12 PRO HA 3.50 (# 345:25 Unique 2.28, 2.53 A)
&rst
ixpk= 345, nxpk= 25, iat= -1, 173, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 170, 171,
&end
#
# 0 AMB 25-2:346 12 PRO HA 5.50 (# 346:25 Single Ambig)
&rst
ixpk= 346, nxpk= 25, iat= -1, 173, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 167, 168, 232, 233, 234, 236, 237, 238,
&end
#
# 12 PRO HB- 12 PRO HA 3.50 (# 348:25 Unique 2.28, 2.53 A)
&rst
ixpk= 348, nxpk= 25, iat= -1, 173, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 170, 171,
&end
#
# 76 LEU HB- 3 GLU HA 4.50 (# 349:25 Unique 2.26, 3.63 A)
&rst
ixpk= 349, nxpk= 25, iat= -1, 37, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1173,1174,
&end
#
# 15 GLN HE2+ 12 PRO HA 5.50 (# 350:25 Unique 2.73, 4.09 A)
&rst
ixpk= 350, nxpk= 25, iat= -1, 173, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 221, 222,
&end
#
# 0 AMB 25-2:351 3 GLU HA 3.50 (# 351:25 Single Ambig)
&rst
ixpk= 351, nxpk= 25, iat= -1, 37, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
&end
#
# 0 AMB 25-2:352 3 GLU HA 2.80 (# 352:25 Single Ambig)
&rst
ixpk= 352, nxpk= 25, iat= -1, 37, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 39, 40, 57, 58, 57, 58,
&end
#
# 4 GLU HN 3 GLU HA 2.80 (# 353:25 Unique 2.24, 2.45 A)
&rst
ixpk= 353, nxpk= 25, iat= 50, 37, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:354 128 ASP HA 3.50 (# 354:25 Single Ambig)
&rst
ixpk= 354, nxpk= 25, iat= -1,1972, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1974,1975, 842, 843,
&end
#
# 104 GLN HE2- 78 LYS HA 5.50 (# 355:25 Unique 2.68, 4.10 A)
&rst
ixpk= 355, nxpk= 25, iat= -1,1214, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1615,1616,
&end
#
# 13 LYS HN 12 PRO HA 4.50 (# 356:25 Unique 2.53, 2.68 A)
&rst
ixpk= 356, nxpk= 25, iat= 177, 173, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:357 3 GLU HA 2.80 (# 357:25 Single Ambig)
&rst
ixpk= 357, nxpk= 25, iat= -1, 37, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 42, 43, 42, 43,
&end
#
# 115 SER HB+ 115 SER HA 3.50 (# 358:25 Unique 2.31, 2.70 A)
&rst
ixpk= 358, nxpk= 25, iat= -1,1775, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1777,1778,
&end
#
# 0 AMB 25-2:359 12 PRO HA 5.50 (# 359:25 Single Ambig)
&rst
ixpk= 359, nxpk= 25, iat= -1, 173, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 209, 226,
&end
#
# 0 AMB 25-2:360 24 ALA HA 4.50 (# 360:25 Single Ambig)
&rst
ixpk= 360, nxpk= 25, iat= -1, 350, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 287, 295, 912,
&end
#
# 60 TRP HD1 24 ALA HA 4.50 (# 361:25 Unique 3.65, 5.32 A)
&rst
ixpk= 361, nxpk= 25, iat= 920, 350, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:362 128 ASP HA 4.50 (# 362:25 Single Ambig)
&rst
ixpk= 362, nxpk= 25, iat= -1,1972, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 662, 663, 662, 663,
&end
#
# 0 AMB 25-2:363 0 AMB 25-1:363 2.80 (# 363:25 Double Ambig)
&rst
ixpk= 363, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 421, 422,1102,1103,
igr2= 419,1097,
&end
#
# 0 AMB 25-2:364 0 AMB 25-1:364 2.80 (# 364:25 Double Ambig)
&rst
ixpk= 364, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 348,1212,
igr2= 350,1214,
&end
#
# 131 ALA MB 128 ASP HA 3.50 (# 365:25 Unique 2.59, 3.70 A)
&rst
ixpk= 365, nxpk= 25, iat= -1,1972, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2009,2010,2011,
&end
#
# 0 AMB 25-2:366 0 AMB 25-1:366 3.50 (# 366:25 Double Ambig)
&rst
ixpk= 366, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1974,1975,1819,1820,
igr2=1972,1775,
&end
#
# 115 SER HB- 115 SER HA 4.50 (# 367:25 Unique 2.31, 2.70 A)
&rst
ixpk= 367, nxpk= 25, iat= -1,1775, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1777,1778,
&end
#
# 128 ASP HN 128 ASP HA 3.50 (# 368:25 Unique 2.81, 2.85 A)
&rst
ixpk= 368, nxpk= 25, iat=1970,1972, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 3 GLU HB- 3 GLU HA 2.80 (# 369:25 Unique 2.39, 2.74 A)
&rst
ixpk= 369, nxpk= 25, iat= -1, 37, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 39, 40,
&end
#
# 0 AMB 25-2:370 128 ASP HA 3.50 (# 370:25 Single Ambig)
&rst
ixpk= 370, nxpk= 25, iat= -1,1972, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2005,1956,
&end
#
# 0 AMB 25-2:371 0 AMB 25-1:371 3.50 (# 371:25 Double Ambig)
&rst
ixpk= 371, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 417, 406,
igr2= 419, 350,
&end
#
# 0 AMB 25-2:372 0 AMB 25-1:372 4.50 (# 372:25 Double Ambig)
&rst
ixpk= 372, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1240,1241,1242,1244,1245,1246, 611, 612, 613, 615,
616, 617,
igr2=1214, 350,
&end
#
# 0 AMB 25-2:373 0 AMB 25-1:373 4.50 (# 373:25 Double Ambig)
&rst
ixpk= 373, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=2405,2406,2405,2406,2429,2430,2429,2430,
igr2=2397,2421,
&end
#
# 0 AMB 25-2:374 26 ARG HA 3.50 (# 374:25 Single Ambig)
&rst
ixpk= 374, nxpk= 25, iat= -1, 384, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 382, 406,
&end
#
# 0 AMB 25-2:375 0 AMB 25-1:375 4.50 (# 375:25 Double Ambig)
&rst
ixpk= 375, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 486, 487, 486, 487, 410, 411, 410, 411,
igr2= 419, 350,
&end
#
# 0 AMB 25-2:377 0 AMB 25-1:377 2.80 (# 377:25 Double Ambig)
&rst
ixpk= 377, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1121,1122,1123,1125,1126,1127,1121,1122,1123,1125,
1126,1127,1506,1507,1508,1510,1511,1512,
igr2=1097,1214,
&end
#
# 78 LYS HG- 78 LYS HA 2.80 (# 378:25 Unique 2.18, 3.22 A)
&rst
ixpk= 378, nxpk= 25, iat= -1,1214, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1219,1220,
&end
#
# 79 VAL HN 78 LYS HA 2.80 (# 379:25 Unique 1.98, 2.24 A)
&rst
ixpk= 379, nxpk= 25, iat=1234,1214, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:380 0 AMB 25-1:380 5.50 (# 380:25 Double Ambig)
&rst
ixpk= 380, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1982,1754,
igr2=1972,1775,
&end
#
# 0 AMB 25-2:382 26 ARG HA 3.50 (# 382:25 Single Ambig)
&rst
ixpk= 382, nxpk= 25, iat= -1, 384, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 389, 390, 389, 390, 365, 366, 428, 429, 430,
&end
#
# 118 MET HB- 115 SER HA 4.50 (# 383:25 Unique 2.09, 5.53 A)
&rst
ixpk= 383, nxpk= 25, iat= -1,1775, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1816,1817,
&end
#
# 0 AMB 25-2:385 0 AMB 25-1:385 2.80 (# 385:25 Double Ambig)
&rst
ixpk= 385, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2189,2190,2231,2232,
igr2=2192,2234,
&end
#
# 55 CYS HN 54 GLY HA+ 5.50 (# 386:25 Unique 2.43, 2.59 A)
&rst
ixpk= 386, nxpk= 25, iat= 838, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 833, 834,
&end
#
# 144 VAL HN 144 VAL HA 4.50 (# 387:25 Unique 2.86, 2.90 A)
&rst
ixpk= 387, nxpk= 25, iat=2208,2210, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:388 0 AMB 25-1:388 2.80 (# 388:25 Double Ambig)
&rst
ixpk= 388, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2196,2255,
igr2=2192,2234,
&end
#
# 0 AMB 25-2:389 144 VAL HA 2.80 (# 389:25 Single Ambig)
&rst
ixpk= 389, nxpk= 25, iat= -1,2210, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2214,2215,2216,2218,2219,2220,2214,2215,2216,2218,
2219,2220,
&end
#
# 144 VAL HB 144 VAL HA 3.50 (# 390:25 Unique 2.33, 2.41 A)
&rst
ixpk= 390, nxpk= 25, iat=2212,2210, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 145 PRO HD- 144 VAL HA 2.80 (# 391:25 Unique 2.02, 2.42 A)
&rst
ixpk= 391, nxpk= 25, iat= -1,2210, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2225,2226,
&end
#
# 145 PRO HD+ 144 VAL HA 2.80 (# 392:25 Unique 2.02, 2.42 A)
&rst
ixpk= 392, nxpk= 25, iat= -1,2210, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2225,2226,
&end
#
# 0 AMB 25-2:393 0 AMB 25-1:393 2.80 (# 393:25 Double Ambig)
&rst
ixpk= 393, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=2189,2190,2228,2229,2228,2229,2186,2187,
igr2=2192,2234,
&end
#
# 0 AMB 25-2:394 0 AMB 25-1:394 3.50 (# 394:25 Double Ambig)
&rst
ixpk= 394, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2214,2215,2216,2218,2219,2220,2214,2215,2216,2218,
2219,2220,
igr2=2192,2234,
&end
#
# 145 PRO HB- 145 PRO HA 2.80 (# 395:25 Unique 2.33, 2.64 A)
&rst
ixpk= 395, nxpk= 25, iat= -1,2234, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2231,2232,
&end
#
# 71 ASP HN 71 ASP HA 3.50 (# 396:25 Unique 2.19, 2.30 A)
&rst
ixpk= 396, nxpk= 25, iat=1083,1085, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:398 156 ARG HA 5.50 (# 398:25 Single Ambig)
&rst
ixpk= 398, nxpk= 25, iat= -1,2397, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2405,2406,2405,2406,
&end
#
# 0 AMB 25-2:400 0 AMB 25-1:400 2.80 (# 400:25 Double Ambig)
&rst
ixpk= 400, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 556, 557,2189,2190,2228,2229,2228,2229,
igr2= 559,2192,2234,
&end
#
# 0 AMB 25-2:402 58 THR HA 3.50 (# 402:25 Single Ambig)
&rst
ixpk= 402, nxpk= 25, iat= -1, 886, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 871, 872, 873, 578, 579,
&end
#
# 59 PRO HD- 58 THR HA 4.50 (# 403:25 Unique 2.19, 2.84 A)
&rst
ixpk= 403, nxpk= 25, iat= -1, 886, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 899, 900,
&end
#
# 0 AMB 25-2:404 0 AMB 25-1:404 5.50 (# 404:25 Double Ambig)
&rst
ixpk= 404, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 831, 681,
igr2= 833, 834, 833, 834,
&end
#
# 0 AMB 25-2:405 36 PRO HA 5.50 (# 405:25 Single Ambig)
&rst
ixpk= 405, nxpk= 25, iat= -1, 559, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 902, 903, 550, 551,
&end
#
# 58 THR MG2 58 THR HA 3.50 (# 406:25 Unique 2.51, 3.22 A)
&rst
ixpk= 406, nxpk= 25, iat= -1, 886, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 890, 891, 892,
&end
#
# 58 THR HB 58 THR HA 4.50 (# 407:25 Unique 2.41, 2.50 A)
&rst
ixpk= 407, nxpk= 25, iat= 888, 886, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 PRO HB+ 36 PRO HA 2.80 (# 408:25 Unique 2.30, 2.59 A)
&rst
ixpk= 408, nxpk= 25, iat= -1, 559, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 556, 557,
&end
#
# 37 SER HN 36 PRO HA 5.50 (# 409:25 Unique 2.20, 2.54 A)
&rst
ixpk= 409, nxpk= 25, iat= 563, 559, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:410 36 PRO HA 3.50 (# 410:25 Single Ambig)
&rst
ixpk= 410, nxpk= 25, iat= -1, 559, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 553, 554, 553, 554,
&end
#
# 36 PRO HD+ 36 PRO HA 5.50 (# 412:25 Unique 3.45, 3.79 A)
&rst
ixpk= 412, nxpk= 25, iat= -1, 559, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 550, 551,
&end
#
# 0 AMB 25-2:413 0 AMB 25-1:413 4.50 (# 413:25 Double Ambig)
&rst
ixpk= 413, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1240,1241,1242,1244,1245,1246,1492,1493,1494,
igr2=1254,1255,1254,1255,
&end
#
# 41 TYR HN 42 VAL HA 5.50 (# 414:25 Unique 4.65, 4.73 A)
&rst
ixpk= 414, nxpk= 25, iat= 621, 644, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 56 VAL MGY 42 VAL HA 5.50 (# 415:25 Unique 3.42, 5.19 A)
&rst
ixpk= 415, nxpk= 25, iat= -1, 644, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 855, 856, 857, 859, 860, 861,
&end
#
# 42 VAL HB 42 VAL HA 4.50 (# 417:25 Unique 2.35, 2.94 A)
&rst
ixpk= 417, nxpk= 25, iat= 646, 644, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 SER HN 42 VAL HA 3.50 (# 418:25 Unique 2.15, 2.23 A)
&rst
ixpk= 418, nxpk= 25, iat= 658, 644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 57 ILE HN 42 VAL HA 5.50 (# 419:25 Unique 3.49, 3.61 A)
&rst
ixpk= 419, nxpk= 25, iat= 865, 644, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:420 42 VAL HA 2.80 (# 420:25 Single Ambig)
&rst
ixpk= 420, nxpk= 25, iat= -1, 644, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 648, 649, 650, 652, 653, 654, 871, 872, 873,
&end
#
# 80 SER HN 80 SER HB+ 5.50 (# 421:25 Unique 3.56, 3.84 A)
&rst
ixpk= 421, nxpk= 25, iat=1250, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1254,1255,
&end
#
# 42 VAL HN 42 VAL HA 5.50 (# 423:25 Unique 2.93, 2.95 A)
&rst
ixpk= 423, nxpk= 25, iat= 642, 644, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 42 VAL MGX 42 VAL HA 3.50 (# 424:25 Unique 2.50, 3.25 A)
&rst
ixpk= 424, nxpk= 25, iat= -1, 644, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 648, 649, 650, 652, 653, 654,
&end
#
# 103 SER HN 102 VAL HA 4.50 (# 425:25 Unique 3.37, 3.45 A)
&rst
ixpk= 425, nxpk= 25, iat=1592,1578, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 118 MET HG- 118 MET HA 3.50 (# 427:25 Unique 2.39, 3.42 A)
&rst
ixpk= 427, nxpk= 25, iat= -1,1814, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1819,1820,
&end
#
# 119 SER HN 118 MET HA 3.50 (# 428:25 Unique 2.18, 2.29 A)
&rst
ixpk= 428, nxpk= 25, iat=1829,1814, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 102 VAL HN 102 VAL HA 3.50 (# 430:25 Unique 2.95, 2.97 A)
&rst
ixpk= 430, nxpk= 25, iat=1576,1578, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 MET HN 118 MET HA 4.50 (# 431:25 Unique 2.81, 2.89 A)
&rst
ixpk= 431, nxpk= 25, iat=1812,1814, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:432 0 AMB 25-1:432 5.50 (# 432:25 Double Ambig)
&rst
ixpk= 432, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1833,1834, 301,
igr2=1803, 886,
&end
#
# 102 VAL MGX 102 VAL HA 2.80 (# 433:25 Unique 2.42, 3.18 A)
&rst
ixpk= 433, nxpk= 25, iat= -1,1578, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1582,1583,1584,1586,1587,1588,
&end
#
# 0 AMB 25-2:434 102 VAL HA 2.80 (# 434:25 Single Ambig)
&rst
ixpk= 434, nxpk= 25, iat= -1,1578, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1582,1583,1584,1586,1587,1588, 170, 171,
&end
#
# 117 SER HB- 117 SER HA 2.80 (# 435:25 Unique 2.33, 2.66 A)
&rst
ixpk= 435, nxpk= 25, iat= -1,1803, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1805,1806,
&end
#
# 117 SER HB+ 117 SER HA 2.80 (# 436:25 Unique 2.33, 2.66 A)
&rst
ixpk= 436, nxpk= 25, iat= -1,1803, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1805,1806,
&end
#
# 0 AMB 25-2:437 102 VAL HA 5.50 (# 437:25 Single Ambig)
&rst
ixpk= 437, nxpk= 25, iat= -1,1578, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1542,1543, 273, 274, 275,
&end
#
# 118 MET HN 117 SER HA 4.50 (# 438:25 Unique 2.62, 3.36 A)
&rst
ixpk= 438, nxpk= 25, iat=1812,1803, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:440 0 AMB 25-1:440 5.50 (# 440:25 Double Ambig)
&rst
ixpk= 440, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1592,2490,1874,
igr2=1559,2463,1814,
&end
#
# 0 AMB 25-2:441 0 AMB 25-1:441 2.80 (# 441:25 Double Ambig)
&rst
ixpk= 441, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 556, 557,2189,2190,2186,2187,
igr2= 559,2192,
&end
#
# 117 SER HN 117 SER HA 4.50 (# 442:25 Unique 2.24, 2.85 A)
&rst
ixpk= 442, nxpk= 25, iat=1801,1803, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:443 0 AMB 25-1:443 4.50 (# 443:25 Double Ambig)
&rst
ixpk= 443, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1777,1778,1805,1806,1571,1572,
igr2=1814,1559,
&end
#
# 0 AMB 25-2:444 0 AMB 25-1:444 5.50 (# 444:25 Double Ambig)
&rst
ixpk= 444, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=1805,1806,2456,2457,1876,
igr2=1814,2463,
&end
#
# 160 GLU HN 160 GLU HA 4.50 (# 445:25 Unique 2.20, 2.89 A)
&rst
ixpk= 445, nxpk= 25, iat=2461,2463, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 PRO HB- 59 PRO HA 5.50 (# 446:25 Unique 2.28, 2.66 A)
&rst
ixpk= 446, nxpk= 25, iat= -1, 908, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 905, 906,
&end
#
# 0 AMB 25-2:447 59 PRO HA 5.50 (# 447:25 Single Ambig)
&rst
ixpk= 447, nxpk= 25, iat= -1, 908, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 899, 900,1741,1742,
&end
#
# 118 MET HB- 117 SER HA 5.50 (# 448:25 Unique 5.04, 5.83 A)
&rst
ixpk= 448, nxpk= 25, iat= -1,1803, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1816,1817,
&end
#
# 0 AMB 25-2:449 59 PRO HA 5.50 (# 449:25 Single Ambig)
&rst
ixpk= 449, nxpk= 25, iat= -1, 908, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 902, 903,1819,1820,
&end
#
# 0 AMB 25-2:450 0 AMB 25-1:450 2.80 (# 450:25 Double Ambig)
&rst
ixpk= 450, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1816,1817,2465,2466,
igr2=1814,2463,
&end
#
# 100 ASP HN 100 ASP HA 3.50 (# 451:25 Unique 2.77, 2.80 A)
&rst
ixpk= 451, nxpk= 25, iat=1557,1559, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:452 0 AMB 25-1:452 2.80 (# 452:25 Double Ambig)
&rst
ixpk= 452, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1816,1817,2465,2466,
igr2=1814,2463,
&end
#
# 0 AMB 25-2:453 0 AMB 25-1:453 5.50 (# 453:25 Double Ambig)
&rst
ixpk= 453, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 578, 579, 75, 76,
igr2= 908,1596,1597,
&end
#
# 140 THR HB 140 THR HA 3.50 (# 454:25 Unique 3.04, 3.05 A)
&rst
ixpk= 454, nxpk= 25, iat=2158,2156, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:455 140 THR HA 5.50 (# 455:25 Single Ambig)
&rst
ixpk= 455, nxpk= 25, iat= -1,2156, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2168,2154,
&end
#
# 114 LEU HG 114 LEU HA 3.50 (# 456:25 Unique 2.41, 3.12 A)
&rst
ixpk= 456, nxpk= 25, iat=1761,1756, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:457 0 AMB 25-1:457 3.50 (# 457:25 Double Ambig)
&rst
ixpk= 457, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2468,2469,2468,2469,1881,1882,
igr2=2463,1814,
&end
#
# 140 THR MG2 140 THR HA 3.50 (# 458:25 Unique 2.47, 3.12 A)
&rst
ixpk= 458, nxpk= 25, iat= -1,2156, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2160,2161,2162,
&end
#
# 101 GLY HN 100 ASP HA 2.80 (# 459:25 Unique 2.16, 2.20 A)
&rst
ixpk= 459, nxpk= 25, iat=1569,1559, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:460 100 ASP HA 2.80 (# 460:25 Single Ambig)
&rst
ixpk= 460, nxpk= 25, iat= -1,1559, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1561,1562,1561,1562,
&end
#
# 161 ASN HN 160 GLU HA 4.50 (# 461:25 Unique 2.27, 2.63 A)
&rst
ixpk= 461, nxpk= 25, iat=2476,2463, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 102 VAL HN 100 ASP HA 4.50 (# 462:25 Unique 3.29, 3.42 A)
&rst
ixpk= 462, nxpk= 25, iat=1576,1559, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 PRO HB+ 59 PRO HA 3.50 (# 463:25 Unique 2.28, 2.66 A)
&rst
ixpk= 463, nxpk= 25, iat= -1, 908, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 905, 906,
&end
#
# 34 LEU HN 32 SER HA 4.50 (# 464:25 Unique 3.20, 4.00 A)
&rst
ixpk= 464, nxpk= 25, iat= 513, 484, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:465 114 LEU HA 3.50 (# 465:25 Single Ambig)
&rst
ixpk= 465, nxpk= 25, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1763,1764,1765,1767,1768,1769,1763,1764,1765,1767,
1768,1769,
&end
#
# 114 LEU HN 114 LEU HA 5.50 (# 466:25 Unique 2.25, 2.87 A)
&rst
ixpk= 466, nxpk= 25, iat=1754,1756, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:467 0 AMB 25-1:467 3.50 (# 467:25 Double Ambig)
&rst
ixpk= 467, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 578, 579, 71, 72, 73,1761,
igr2= 908,1596,1597,1596,1597,
&end
#
# 118 MET HG- 114 LEU HA 4.50 (# 468:25 Unique 3.52, 6.43 A)
&rst
ixpk= 468, nxpk= 25, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1819,1820,
&end
#
# 112 SER HB- 112 SER HA 5.50 (# 469:25 Unique 2.38, 2.72 A)
&rst
ixpk= 469, nxpk= 25, iat= -1,1731, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1733,1734,
&end
#
# 114 LEU HB- 114 LEU HA 4.50 (# 470:25 Unique 2.29, 2.78 A)
&rst
ixpk= 470, nxpk= 25, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1758,1759,
&end
#
# 0 AMB 25-2:471 32 SER HA 2.80 (# 471:25 Single Ambig)
&rst
ixpk= 471, nxpk= 25, iat= -1, 484, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 486, 487, 486, 487,
&end
#
# 60 TRP HD1 59 PRO HA 5.50 (# 472:25 Unique 4.54, 5.05 A)
&rst
ixpk= 472, nxpk= 25, iat= 920, 908, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 GLU HN 19 ALA HA 4.50 (# 473:25 Unique 3.26, 3.48 A)
&rst
ixpk= 473, nxpk= 25, iat= 314, 271, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:474 0 AMB 25-1:474 5.50 (# 474:25 Double Ambig)
&rst
ixpk= 474, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1= 912,1036,1044,
igr2= 908,1596,1597,1596,1597,
&end
#
# 0 AMB 25-2:475 130 CYS HA 5.50 (# 475:25 Single Ambig)
&rst
ixpk= 475, nxpk= 25, iat= -1,1996, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1941,1942,1941,1942,
&end
#
# 19 ALA MB 19 ALA HA 2.80 (# 476:25 Unique 2.41, 2.66 A)
&rst
ixpk= 476, nxpk= 25, iat= -1, 271, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 273, 274, 275,
&end
#
# 0 AMB 25-2:477 19 ALA HA 3.50 (# 477:25 Single Ambig)
&rst
ixpk= 477, nxpk= 25, iat= -1, 271, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 318, 319, 318, 319,
&end
#
# 25 ARG HB+ 22 GLU HA 3.50 (# 478:25 Unique 2.21, 3.46 A)
&rst
ixpk= 478, nxpk= 25, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 362, 363,
&end
#
# 24 ALA HN 0 AMB 25-1:480 5.50 (# 480:25 Single Ambig)
&rst
ixpk= 480, nxpk= 25, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 316, 360,
&end
#
# 104 GLN HN 0 AMB 25-1:481 5.50 (# 481:25 Single Ambig)
&rst
ixpk= 481, nxpk= 25, iat=1603, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1596,1597,1596,1597,
&end
#
# 69 GLY HN 68 PRO HA 4.50 (# 484:25 Unique 2.26, 2.51 A)
&rst
ixpk= 484, nxpk= 25, iat=1062,1058, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:485 68 PRO HA 4.50 (# 485:25 Single Ambig)
&rst
ixpk= 485, nxpk= 25, iat= -1,1058, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1099,1100,1099,1100,1102,1103,
&end
#
# 0 AMB 25-2:486 22 GLU HA 2.80 (# 486:25 Single Ambig)
&rst
ixpk= 486, nxpk= 25, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 318, 319, 318, 319,
&end
#
# 0 AMB 25-2:487 22 GLU HA 3.50 (# 487:25 Single Ambig)
&rst
ixpk= 487, nxpk= 25, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 321, 322, 303, 304,
&end
#
# 0 AMB 25-2:488 22 GLU HA 3.50 (# 488:25 Single Ambig)
&rst
ixpk= 488, nxpk= 25, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 314, 329,
&end
#
# 0 AMB 25-2:489 112 SER HA 5.50 (# 489:25 Single Ambig)
&rst
ixpk= 489, nxpk= 25, iat= -1,1731, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1=1763,1764,1765,1767,1768,1769,1763,1764,1765,1767,
1768,1769,1723,1724,1725,
&end
#
# 22 GLU HG+ 19 ALA HA 4.50 (# 490:25 Unique 2.15, 3.71 A)
&rst
ixpk= 490, nxpk= 25, iat= -1, 271, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 321, 322,
&end
#
# 25 ARG HN 22 GLU HA 4.50 (# 491:25 Unique 3.13, 3.47 A)
&rst
ixpk= 491, nxpk= 25, iat= 358, 316, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 MET HA 112 SER HA 5.50 (# 493:25 Unique 1.94, 2.31 A)
&rst
ixpk= 493, nxpk= 25, iat= 938,1731, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 5 ILE MG2 5 ILE HA 2.80 (# 495:25 Unique 2.46, 3.17 A)
&rst
ixpk= 495, nxpk= 25, iat= -1, 67, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 71, 72, 73,
&end
#
# 6 ALA HN 5 ILE HA 2.80 (# 496:25 Unique 2.15, 2.20 A)
&rst
ixpk= 496, nxpk= 25, iat= 84, 67, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 5 ILE HN 5 ILE HA 4.50 (# 497:25 Unique 2.91, 2.97 A)
&rst
ixpk= 497, nxpk= 25, iat= 65, 67, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:498 0 AMB 25-1:498 2.80 (# 498:25 Double Ambig)
&rst
ixpk= 498, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2349,2330, 269,
igr2=2332, 271,
&end
#
# 112 SER HB- 112 SER HA 5.50 (# 499:25 Unique 2.38, 2.72 A)
&rst
ixpk= 499, nxpk= 25, iat= -1,1731, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1733,1734,
&end
#
# 25 ARG HB- 22 GLU HA 3.50 (# 500:25 Unique 2.21, 3.46 A)
&rst
ixpk= 500, nxpk= 25, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 362, 363,
&end
#
# 6 ALA MB 5 ILE HA 4.50 (# 501:25 Unique 4.37, 4.99 A)
&rst
ixpk= 501, nxpk= 25, iat= -1, 67, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 88, 89, 90,
&end
#
# 5 ILE HG1+ 5 ILE HA 4.50 (# 502:25 Unique 2.57, 3.03 A)
&rst
ixpk= 502, nxpk= 25, iat= -1, 67, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 75, 76,
&end
#
# 0 AMB 25-2:504 25 ARG HA 4.50 (# 504:25 Single Ambig)
&rst
ixpk= 504, nxpk= 25, iat= -1, 360, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 410, 411, 410, 411,
&end
#
# 0 AMB 25-2:505 0 AMB 25-1:505 4.50 (# 505:25 Double Ambig)
&rst
ixpk= 505, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 368, 369, 368, 369, 368, 369,
igr2= 316, 360,
&end
#
# 5 ILE HG1- 5 ILE HA 4.50 (# 506:25 Unique 2.57, 3.03 A)
&rst
ixpk= 506, nxpk= 25, iat= -1, 67, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 75, 76,
&end
#
#
# 0 AMB 25-2:508 0 AMB 25-1:508 2.80 (# 508:25 Double Ambig)
&rst
ixpk= 508, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 520,2337,2334,2335,
igr2= 515,2332,
&end
#
# 0 AMB 25-2:509 152 LEU HA 3.50 (# 509:25 Single Ambig)
&rst
ixpk= 509, nxpk= 25, iat= -1,2332, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2334,2335,2303,2304,
&end
#
# 70 PRO HD- 0 AMB 25-1:510 5.50 (# 510:25 Single Ambig)
&rst
ixpk= 510, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1070,1071,
igr2=1064,1065,1064,1065,
&end
#
# 96 VAL HN 81 GLU HA 5.50 (# 511:25 Unique 4.75, 4.82 A)
&rst
ixpk= 511, nxpk= 25, iat=1500,1263, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:512 0 AMB 25-1:512 3.50 (# 512:25 Double Ambig)
&rst
ixpk= 512, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1268,1269,1719,1720,
igr2=1263,1731,
&end
#
# 82 LYS HA 81 GLU HA 5.50 (# 513:25 Unique 4.45, 4.49 A)
&rst
ixpk= 513, nxpk= 25, iat=1278,1263, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 25 ARG HB- 25 ARG HA 2.80 (# 515:25 Unique 2.30, 2.70 A)
&rst
ixpk= 515, nxpk= 25, iat= -1, 360, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 362, 363,
&end
#
# 95 THR MG2 81 GLU HA 5.50 (# 516:25 Unique 4.01, 5.20 A)
&rst
ixpk= 516, nxpk= 25, iat= -1,1263, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1492,1493,1494,
&end
#
# 0 AMB 25-2:517 25 ARG HA 2.80 (# 517:25 Single Ambig)
&rst
ixpk= 517, nxpk= 25, iat= -1, 360, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 365, 366, 428, 429, 430,
&end
#
# 0 AMB 25-2:518 25 ARG HA 2.80 (# 518:25 Single Ambig)
&rst
ixpk= 518, nxpk= 25, iat= -1, 360, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 417, 358, 406, 382,
&end
#
# 81 GLU HB+ 81 GLU HA 2.80 (# 520:25 Unique 2.34, 2.75 A)
&rst
ixpk= 520, nxpk= 25, iat= -1,1263, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1265,1266,
&end
#
# 0 AMB 25-2:521 81 GLU HA 5.50 (# 521:25 Single Ambig)
&rst
ixpk= 521, nxpk= 25, iat= -1,1263, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1289,1290,1289,1290,
&end
#
# 0 AMB 25-2:522 0 AMB 25-1:522 3.50 (# 522:25 Double Ambig)
&rst
ixpk= 522, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1283,1284,1280,1281,1286,1287, 960,1219,1220,
igr2=1263,1731,
&end
#
# 82 LYS HN 81 GLU HA 2.80 (# 523:25 Unique 2.33, 2.46 A)
&rst
ixpk= 523, nxpk= 25, iat=1276,1263, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:524 96 VAL HA 5.50 (# 524:25 Single Ambig)
&rst
ixpk= 524, nxpk= 25, iat= -1,1502, r1= 0.00, r2= 1.80, r3= 8.20, r4= 8.95,
igr1=1308,1309,1240,1241,1242,1244,1245,1246, 78, 79,
80,
&end
#
# 0 AMB 25-2:525 151 ALA HA 4.50 (# 525:25 Single Ambig)
&rst
ixpk= 525, nxpk= 25, iat= -1,2322, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2334,2335,2303,2304,2303,2304,
&end
#
# 0 AMB 25-2:527 147 ALA HA 5.50 (# 527:25 Single Ambig)
&rst
ixpk= 527, nxpk= 25, iat= -1,2257, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2228,2229,2228,2229,2276,2277,
&end
#
# 138 PRO HB+ 139 VAL HA 5.50 (# 528:25 Unique 4.26, 5.17 A)
&rst
ixpk= 528, nxpk= 25, iat= -1,2140, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2131,2132,
&end
#
# 0 AMB 25-2:529 0 AMB 25-1:529 2.80 (# 529:25 Double Ambig)
&rst
ixpk= 529, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2259,2260,2261,2324,2325,2326,
igr2=2257,2322,
&end
#
# 0 AMB 25-2:530 151 ALA HA 3.50 (# 530:25 Single Ambig)
&rst
ixpk= 530, nxpk= 25, iat= -1,2322, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2330,2349,
&end
#
# 151 ALA HN 151 ALA HA 5.50 (# 531:25 Unique 2.82, 2.90 A)
&rst
ixpk= 531, nxpk= 25, iat=2320,2322, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:532 147 ALA HA 5.50 (# 532:25 Single Ambig)
&rst
ixpk= 532, nxpk= 25, iat= -1,2257, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2255,2272,
&end
#
# 139 VAL HN 139 VAL HA 4.50 (# 534:25 Unique 2.21, 2.88 A)
&rst
ixpk= 534, nxpk= 25, iat=2138,2140, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 GLY HN 7 GLY HA+ 5.50 (# 535:25 Unique 2.28, 2.66 A)
&rst
ixpk= 535, nxpk= 25, iat= 94, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 96, 97,
&end
#
# 0 AMB 25-2:536 0 AMB 25-1:536 4.50 (# 536:25 Double Ambig)
&rst
ixpk= 536, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2231,2232,2300,2301,2300,2301,
igr2=2257,2322,
&end
#
# 0 AMB 25-2:537 0 AMB 25-1:537 5.50 (# 537:25 Double Ambig)
&rst
ixpk= 537, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=2242,2243,2242,2243,2306,2307,2306,2307,
igr2=2257,2322,
&end
#
# 0 AMB 25-2:539 147 ALA HA 4.50 (# 539:25 Single Ambig)
&rst
ixpk= 539, nxpk= 25, iat= -1,2257, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2214,2215,2216,2218,2219,2220,2214,2215,2216,2218,
2219,2220,
&end
#
# 10 THR HN 10 THR HB 5.50 (# 542:25 Unique 3.64, 3.77 A)
&rst
ixpk= 542, nxpk= 25, iat= 138, 142, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:543 139 VAL HA 2.80 (# 543:25 Single Ambig)
&rst
ixpk= 543, nxpk= 25, iat= -1,2140, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2144,2145,2146,2148,2149,2150,2144,2145,2146,2148,
2149,2150,
&end
#
# 139 VAL HB 139 VAL HA 3.50 (# 544:25 Unique 2.39, 2.64 A)
&rst
ixpk= 544, nxpk= 25, iat=2142,2140, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 VAL MGY 96 VAL HA 3.50 (# 546:25 Unique 2.43, 3.17 A)
&rst
ixpk= 546, nxpk= 25, iat= -1,1502, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 0 AMB 25-2:547 96 VAL HA 5.50 (# 547:25 Single Ambig)
&rst
ixpk= 547, nxpk= 25, iat= -1,1502, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1504,1607,1608,1607,1608,
&end
#
# 105 TYR HN 96 VAL HA 5.50 (# 548:25 Unique 4.04, 4.23 A)
&rst
ixpk= 548, nxpk= 25, iat=1620,1502, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 10 THR MG2 10 THR HB 2.80 (# 549:25 Unique 2.35, 2.65 A)
&rst
ixpk= 549, nxpk= 25, iat= -1, 142, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 144, 145, 146,
&end
#
# 11 SER HN 10 THR HB 3.50 (# 550:25 Unique 2.11, 2.39 A)
&rst
ixpk= 550, nxpk= 25, iat= 152, 142, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 10 THR HA 10 THR HB 3.50 (# 551:25 Unique 2.40, 2.57 A)
&rst
ixpk= 551, nxpk= 25, iat= 140, 142, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:552 30 ASP HA 3.50 (# 552:25 Single Ambig)
&rst
ixpk= 552, nxpk= 25, iat= -1, 453, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 455, 456, 455, 456,
&end
#
# 106 LEU MDY 96 VAL HA 5.50 (# 553:25 Unique 2.46, 4.63 A)
&rst
ixpk= 553, nxpk= 25, iat= -1,1502, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1650,1651,1652,1654,1655,1656,
&end
#
# 0 AMB 25-2:554 96 VAL HA 2.80 (# 554:25 Single Ambig)
&rst
ixpk= 554, nxpk= 25, iat= -1,1502, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1516,1500,
&end
#
# 0 AMB 25-2:556 0 AMB 25-1:556 3.50 (# 556:25 Double Ambig)
&rst
ixpk= 556, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 249, 250, 306, 307, 556, 557,
igr2= 261, 515,
&end
#
# 106 LEU MDX 96 VAL HA 5.50 (# 557:25 Unique 2.46, 4.63 A)
&rst
ixpk= 557, nxpk= 25, iat= -1,1502, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1650,1651,1652,1654,1655,1656,
&end
#
# 18 ALA HN 18 ALA HA 3.50 (# 558:25 Unique 2.78, 2.81 A)
&rst
ixpk= 558, nxpk= 25, iat= 259, 261, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:559 0 AMB 25-1:559 5.50 (# 559:25 Double Ambig)
&rst
ixpk= 559, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1095, 101,
igr2= 96, 97, 96, 97,1064,1065,1064,1065,
&end
#
# 21 GLU HB+ 18 ALA HA 3.50 (# 560:25 Unique 2.47, 2.80 A)
&rst
ixpk= 560, nxpk= 25, iat= -1, 261, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 303, 304,
&end
#
# 21 GLU HN 18 ALA HA 4.50 (# 561:25 Unique 3.22, 3.33 A)
&rst
ixpk= 561, nxpk= 25, iat= 299, 261, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 GLU HB- 18 ALA HA 2.80 (# 562:25 Unique 2.47, 2.80 A)
&rst
ixpk= 562, nxpk= 25, iat= -1, 261, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 303, 304,
&end
#
# 0 AMB 25-2:563 0 AMB 25-1:563 5.50 (# 563:25 Double Ambig)
&rst
ixpk= 563, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 550, 551, 306, 307,
igr2= 515, 261,
&end
#
# 80 SER HN 81 GLU HA 5.50 (# 564:25 Unique 5.30, 5.34 A)
&rst
ixpk= 564, nxpk= 25, iat=1250,1263, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:565 30 ASP HA 3.50 (# 565:25 Single Ambig)
&rst
ixpk= 565, nxpk= 25, iat= -1, 453, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 463, 482,
&end
#
# 0 AMB 25-2:566 89 TYR HA 4.50 (# 566:25 Single Ambig)
&rst
ixpk= 566, nxpk= 25, iat= -1,1395, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=2098,2099,2058,
&end
#
# 0 AMB 25-2:567 0 AMB 25-1:567 2.80 (# 567:25 Double Ambig)
&rst
ixpk= 567, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 520, 263, 264, 265,
igr2= 515, 261,
&end
#
# 106 LEU HA 96 VAL HA 5.50 (# 568:25 Unique 2.38, 2.55 A)
&rst
ixpk= 568, nxpk= 25, iat=1643,1502, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:569 153 LEU HA 2.80 (# 569:25 Single Ambig)
&rst
ixpk= 569, nxpk= 25, iat= -1,2351, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2368,2349,
&end
#
# 0 AMB 25-2:570 10 THR HB 5.50 (# 570:25 Single Ambig)
&rst
ixpk= 570, nxpk= 25, iat= -1, 142, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 156, 157, 156, 157,
&end
#
# 0 AMB 25-2:572 150 ARG HA 2.80 (# 572:25 Single Ambig)
&rst
ixpk= 572, nxpk= 25, iat= -1,2298, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2303,2304,2303,2304,
&end
#
# 89 TYR HD 89 TYR HA 5.50 (# 573:25 Unique 2.29, 3.53 A)
&rst
ixpk= 573, nxpk= 25, iat= -1,1395, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1401,1410,
&end
#
# 0 AMB 25-2:574 150 ARG HA 2.80 (# 574:25 Single Ambig)
&rst
ixpk= 574, nxpk= 25, iat= -1,2298, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2300,2301,2300,2301,
&end
#
# 0 AMB 25-2:575 0 AMB 25-1:575 3.50 (# 575:25 Double Ambig)
&rst
ixpk= 575, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=2303,2304,2303,2304,1941,1942,1920,1921,
igr2=2298,1939,
&end
#
# 0 AMB 25-2:576 89 TYR HA 5.50 (# 576:25 Single Ambig)
&rst
ixpk= 576, nxpk= 25, iat= -1,1395, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1403,1408,1355,1356,
&end
#
# 131 ALA HA 53 THR HB 5.50 (# 577:25 Unique 4.92, 5.33 A)
&rst
ixpk= 577, nxpk= 25, iat=2007, 821, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 89 TYR HB- 89 TYR HA 5.50 (# 578:25 Unique 2.37, 2.76 A)
&rst
ixpk= 578, nxpk= 25, iat= -1,1395, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1397,1398,
&end
#
# 0 AMB 25-2:579 53 THR HB 5.50 (# 579:25 Single Ambig)
&rst
ixpk= 579, nxpk= 25, iat= -1, 821, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1011, 985,
&end
#
# 53 THR HN 53 THR HB 5.50 (# 580:25 Unique 3.04, 3.52 A)
&rst
ixpk= 580, nxpk= 25, iat= 817, 821, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:581 126 LEU HA 5.50 (# 581:25 Single Ambig)
&rst
ixpk= 581, nxpk= 25, iat= -1,1939, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1956,2005,
&end
#
# 134 ILE MD1 53 THR HB 5.50 (# 582:25 Unique 2.44, 4.59 A)
&rst
ixpk= 582, nxpk= 25, iat= -1, 821, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2069,2070,2071,
&end
#
# 135 LEU MDX 53 THR HB 5.50 (# 583:25 Unique 2.65, 5.81 A)
&rst
ixpk= 583, nxpk= 25, iat= -1, 821, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2084,2085,2086,2088,2089,2090,
&end
#
# 129 ASP HB+ 126 LEU HA 4.50 (# 584:25 Unique 2.14, 2.84 A)
&rst
ixpk= 584, nxpk= 25, iat= -1,1939, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1986,1987,
&end
#
# 66 ILE MD1 53 THR HB 5.50 (# 585:25 Unique 3.83, 5.90 A)
&rst
ixpk= 585, nxpk= 25, iat= -1, 821, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1022,1023,1024,
&end
#
# 129 ASP HN 126 LEU HA 5.50 (# 586:25 Unique 2.83, 3.02 A)
&rst
ixpk= 586, nxpk= 25, iat=1982,1939, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 53 THR HA 53 THR HB 3.50 (# 587:25 Unique 2.49, 2.68 A)
&rst
ixpk= 587, nxpk= 25, iat= 819, 821, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:588 53 THR HB 5.50 (# 588:25 Single Ambig)
&rst
ixpk= 588, nxpk= 25, iat= -1, 821, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 831, 681,
&end
#
# 129 ASP HB- 126 LEU HA 5.50 (# 589:25 Unique 2.14, 2.84 A)
&rst
ixpk= 589, nxpk= 25, iat= -1,1939, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1986,1987,
&end
#
# 0 AMB 25-2:590 126 LEU HA 3.50 (# 590:25 Single Ambig)
&rst
ixpk= 590, nxpk= 25, iat= -1,1939, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 0 AMB 25-2:591 89 TYR HA 5.50 (# 591:25 Single Ambig)
&rst
ixpk= 591, nxpk= 25, iat= -1,1395, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2060,2050,2051,2052,1383,1384,1364,1365,
&end
#
# 53 THR MG2 53 THR HB 3.50 (# 592:25 Unique 2.26, 2.65 A)
&rst
ixpk= 592, nxpk= 25, iat= -1, 821, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 823, 824, 825,
&end
#
# 90 GLY HN 90 GLY HA+ 4.50 (# 593:25 Unique 2.41, 2.79 A)
&rst
ixpk= 593, nxpk= 25, iat=1414, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1416,1417,
&end
#
# 21 GLU HG+ 18 ALA HA 5.50 (# 594:25 Unique 3.96, 4.91 A)
&rst
ixpk= 594, nxpk= 25, iat= -1, 261, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 306, 307,
&end
#
# 102 VAL HN 101 GLY HA+ 5.50 (# 598:25 Unique 3.13, 3.37 A)
&rst
ixpk= 598, nxpk= 25, iat=1576, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1571,1572,
&end
#
# 46 THR MG2 53 THR HB 5.50 (# 600:25 Unique 3.40, 5.93 A)
&rst
ixpk= 600, nxpk= 25, iat= -1, 821, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 707, 708, 709,
&end
#
# 0 AMB 25-2:601 135 LEU HA 5.50 (# 601:25 Single Ambig)
&rst
ixpk= 601, nxpk= 25, iat= -1,2077, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=2084,2085,2086,2088,2089,2090,2114,2115,2116,2118,
2119,2120,2114,2115,2116,2118,2119,2120,
&end
#
# 101 GLY HN 101 GLY HA+ 4.50 (# 602:25 Unique 2.28, 2.59 A)
&rst
ixpk= 602, nxpk= 25, iat=1569, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1571,1572,
&end
#
# 88 PRO HD+ 135 LEU HA 5.50 (# 603:25 Unique 3.34, 5.12 A)
&rst
ixpk= 603, nxpk= 25, iat= -1,2077, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1380,1381,
&end
#
# 91 THR HN 90 GLY HA+ 4.50 (# 604:25 Unique 2.26, 2.65 A)
&rst
ixpk= 604, nxpk= 25, iat=1421, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1416,1417,
&end
#
# 135 LEU MDY 135 LEU HA 3.50 (# 606:25 Unique 2.26, 3.99 A)
&rst
ixpk= 606, nxpk= 25, iat= -1,2077, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2084,2085,2086,2088,2089,2090,
&end
#
# 0 AMB 25-2:607 135 LEU HA 5.50 (# 607:25 Single Ambig)
&rst
ixpk= 607, nxpk= 25, iat= -1,2077, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1364,1365,2060,2019,2020,
&end
#
# 0 AMB 25-2:609 135 LEU HA 3.50 (# 609:25 Single Ambig)
&rst
ixpk= 609, nxpk= 25, iat= -1,2077, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2079,2080,2079,2080,1383,1384,
&end
#
# 0 AMB 25-2:611 76 LEU HA 2.80 (# 611:25 Single Ambig)
&rst
ixpk= 611, nxpk= 25, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1173,1174,1195,1196,
&end
#
# 0 AMB 25-2:612 76 LEU HA 5.50 (# 612:25 Single Ambig)
&rst
ixpk= 612, nxpk= 25, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 69,1192,1193,1159,1160,1159,1160,
&end
#
# 0 AMB 25-2:613 140 THR HB 5.50 (# 613:25 Single Ambig)
&rst
ixpk= 613, nxpk= 25, iat= -1,2158, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2154,2168,
&end
#
# 76 LEU HB- 76 LEU HA 3.50 (# 614:25 Unique 2.35, 2.73 A)
&rst
ixpk= 614, nxpk= 25, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1173,1174,
&end
#
# 0 AMB 25-2:615 76 LEU HA 5.50 (# 615:25 Single Ambig)
&rst
ixpk= 615, nxpk= 25, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=1607,1608,1607,1608,1162,1163, 42, 43, 42, 43,
&end
#
# 0 AMB 25-2:618 76 LEU HA 2.80 (# 618:25 Single Ambig)
&rst
ixpk= 618, nxpk= 25, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184, 78, 79, 80,
&end
#
# 153 LEU HB- 153 LEU HA 2.80 (# 619:25 Unique 2.26, 2.70 A)
&rst
ixpk= 619, nxpk= 25, iat= -1,2351, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2353,2354,
&end
#
# 76 LEU HG 76 LEU HA 3.50 (# 620:25 Unique 2.44, 3.13 A)
&rst
ixpk= 620, nxpk= 25, iat=1176,1171, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 76 LEU HN 76 LEU HA 4.50 (# 621:25 Unique 2.81, 2.88 A)
&rst
ixpk= 621, nxpk= 25, iat=1169,1171, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 104 GLN HE2- 76 LEU HA 5.50 (# 622:25 Unique 4.24, 4.92 A)
&rst
ixpk= 622, nxpk= 25, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1615,1616,
&end
#
# 77 ARG HN 76 LEU HA 3.50 (# 624:25 Unique 2.16, 2.34 A)
&rst
ixpk= 624, nxpk= 25, iat=1188,1171, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 88 PRO HD- 88 PRO HA 5.50 (# 625:25 Unique 3.43, 3.69 A)
&rst
ixpk= 625, nxpk= 25, iat= -1,1389, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1380,1381,
&end
#
# 88 PRO HD+ 88 PRO HA 5.50 (# 628:25 Unique 3.43, 3.69 A)
&rst
ixpk= 628, nxpk= 25, iat= -1,1389, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1380,1381,
&end
#
# 0 AMB 25-2:629 132 ARG HA 5.50 (# 629:25 Single Ambig)
&rst
ixpk= 629, nxpk= 25, iat= -1,2017, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2025,2026,2025,2026,
&end
#
# 0 AMB 25-2:630 88 PRO HA 5.50 (# 630:25 Single Ambig)
&rst
ixpk= 630, nxpk= 25, iat= -1,1389, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1414, 744, 748,
&end
#
# 88 PRO HG- 88 PRO HA 3.50 (# 631:25 Unique 2.72, 3.39 A)
&rst
ixpk= 631, nxpk= 25, iat= -1,1389, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1383,1384,
&end
#
# 88 PRO HB- 88 PRO HA 3.50 (# 632:25 Unique 2.30, 2.68 A)
&rst
ixpk= 632, nxpk= 25, iat= -1,1389, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1386,1387,
&end
#
# 88 PRO HB+ 88 PRO HA 3.50 (# 633:25 Unique 2.30, 2.68 A)
&rst
ixpk= 633, nxpk= 25, iat= -1,1389, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1386,1387,
&end
#
# 88 PRO HG+ 88 PRO HA 3.50 (# 634:25 Unique 2.72, 3.39 A)
&rst
ixpk= 634, nxpk= 25, iat= -1,1389, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1383,1384,
&end
#
# 118 MET HG+ 116 HIS HA 5.50 (# 635:25 Unique 3.86, 5.95 A)
&rst
ixpk= 635, nxpk= 25, iat= -1,1786, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1819,1820,
&end
#
# 87 LEU MDX 88 PRO HA 5.50 (# 636:25 Unique 4.82, 7.12 A)
&rst
ixpk= 636, nxpk= 25, iat= -1,1389, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1369,1370,1371,1373,1374,1375,
&end
#
# 0 AMB 25-2:637 132 ARG HA 3.50 (# 637:25 Single Ambig)
&rst
ixpk= 637, nxpk= 25, iat= -1,2017, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=2022,2023,2009,2010,2011,
&end
#
# 0 AMB 25-2:638 132 ARG HA 2.80 (# 638:25 Single Ambig)
&rst
ixpk= 638, nxpk= 25, iat= -1,2017, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2019,2020,2022,2023,
&end
#
# 132 ARG HN 132 ARG HA 3.50 (# 639:25 Unique 2.75, 2.83 A)
&rst
ixpk= 639, nxpk= 25, iat=2015,2017, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 135 LEU MDX 132 ARG HA 3.50 (# 640:25 Unique 2.16, 3.79 A)
&rst
ixpk= 640, nxpk= 25, iat= -1,2017, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2084,2085,2086,2088,2089,2090,
&end
#
# 133 MET HN 132 ARG HA 5.50 (# 641:25 Unique 3.45, 3.50 A)
&rst
ixpk= 641, nxpk= 25, iat=2039,2017, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:643 116 HIS HA 2.80 (# 643:25 Single Ambig)
&rst
ixpk= 643, nxpk= 25, iat= -1,1786, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1788,1789,1788,1789,
&end
#
# 0 AMB 25-2:644 0 AMB 25-1:644 5.50 (# 644:25 Double Ambig)
&rst
ixpk= 644, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 940, 941,2022,2023,2019,2020,
igr2=1733,1734,1996,
&end
#
# 133 MET HB+ 130 CYS HA 3.50 (# 645:25 Unique 2.33, 3.40 A)
&rst
ixpk= 645, nxpk= 25, iat= -1,1996, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2043,2044,
&end
#
# 118 MET HN 116 HIS HA 5.50 (# 647:25 Unique 3.28, 3.59 A)
&rst
ixpk= 647, nxpk= 25, iat=1812,1786, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 130 CYS HB- 130 CYS HA 4.50 (# 648:25 Unique 2.35, 2.75 A)
&rst
ixpk= 648, nxpk= 25, iat= -1,1996, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1998,1999,
&end
#
# 162 ALA HN 162 ALA HA 5.50 (# 649:25 Unique 2.24, 2.81 A)
&rst
ixpk= 649, nxpk= 25, iat=2490,2492, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:651 21 GLU HA 3.50 (# 651:25 Single Ambig)
&rst
ixpk= 651, nxpk= 25, iat= -1, 301, r1= 0.00, r2= 1.80, r3= 4.84, r4= 5.59,
igr1= 352, 353, 354, 553, 554, 553, 554,
&end
#
# 130 CYS HB+ 130 CYS HA 5.50 (# 652:25 Unique 2.35, 2.75 A)
&rst
ixpk= 652, nxpk= 25, iat= -1,1996, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1998,1999,
&end
#
# 0 AMB 25-2:653 21 GLU HA 4.50 (# 653:25 Single Ambig)
&rst
ixpk= 653, nxpk= 25, iat= -1, 301, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 299, 348,
&end
#
# 20 PHE HN 21 GLU HA 5.50 (# 654:25 Unique 5.28, 5.31 A)
&rst
ixpk= 654, nxpk= 25, iat= 279, 301, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 GLU HB- 21 GLU HA 3.50 (# 655:25 Unique 2.49, 2.81 A)
&rst
ixpk= 655, nxpk= 25, iat= -1, 301, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 303, 304,
&end
#
# 40 VAL MGX 21 GLU HA 3.50 (# 656:25 Unique 2.12, 3.59 A)
&rst
ixpk= 656, nxpk= 25, iat= -1, 301, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 40 VAL MGY 21 GLU HA 4.50 (# 657:25 Unique 2.12, 3.59 A)
&rst
ixpk= 657, nxpk= 25, iat= -1, 301, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 21 GLU HG- 21 GLU HA 3.50 (# 658:25 Unique 2.34, 2.76 A)
&rst
ixpk= 658, nxpk= 25, iat= -1, 301, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 306, 307,
&end
#
# 21 GLU HG+ 21 GLU HA 3.50 (# 659:25 Unique 2.34, 2.76 A)
&rst
ixpk= 659, nxpk= 25, iat= -1, 301, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 306, 307,
&end
#
# 130 CYS HN 130 CYS HA 5.50 (# 660:25 Unique 2.78, 2.83 A)
&rst
ixpk= 660, nxpk= 25, iat=1994,1996, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:661 119 SER HB- 5.50 (# 661:25 Single Ambig)
&rst
ixpk= 661, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1840,1859,
igr2=1833,1834,
&end
#
# 21 GLU HB+ 21 GLU HA 3.50 (# 662:25 Unique 2.49, 2.81 A)
&rst
ixpk= 662, nxpk= 25, iat= -1, 301, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 303, 304,
&end
#
# 133 MET HB- 130 CYS HA 3.50 (# 663:25 Unique 2.33, 3.40 A)
&rst
ixpk= 663, nxpk= 25, iat= -1,1996, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2043,2044,
&end
#
# 0 AMB 25-2:664 21 GLU HA 4.50 (# 664:25 Single Ambig)
&rst
ixpk= 664, nxpk= 25, iat= -1, 301, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 605, 329,
&end
#
# 119 SER HN 119 SER HB- 5.50 (# 665:25 Unique 2.45, 3.37 A)
&rst
ixpk= 665, nxpk= 25, iat=1829, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1833,1834,
&end
#
# 120 ILE MD1 119 SER HB- 5.50 (# 667:25 Unique 2.53, 5.40 A)
&rst
ixpk= 667, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1853,1854,1855,
igr2=1833,1834,
&end
#
# 0 AMB 25-2:668 80 SER HB- 4.50 (# 668:25 Single Ambig)
&rst
ixpk= 668, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1240,1241,1242,1244,1245,1246,1492,1493,1494,
igr2=1254,1255,
&end
#
# 0 AMB 25-2:669 125 ARG HA 5.50 (# 669:25 Single Ambig)
&rst
ixpk= 669, nxpk= 25, iat= -1,1915, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1923,1924,1923,1924,
&end
#
# 80 SER HN 80 SER HB- 5.50 (# 670:25 Unique 3.56, 3.84 A)
&rst
ixpk= 670, nxpk= 25, iat=1250, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1254,1255,
&end
#
# 0 AMB 25-2:671 43 SER HA 4.50 (# 671:25 Single Ambig)
&rst
ixpk= 671, nxpk= 25, iat= -1, 660, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 184, 185,1962,1963,1964,
&end
#
# 0 AMB 25-2:672 43 SER HA 3.50 (# 672:25 Single Ambig)
&rst
ixpk= 672, nxpk= 25, iat= -1, 660, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 662, 663, 662, 663,
&end
#
# 43 SER HN 43 SER HA 3.50 (# 673:25 Unique 2.91, 2.95 A)
&rst
ixpk= 673, nxpk= 25, iat= 658, 660, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 44 ASP HN 43 SER HA 3.50 (# 674:25 Unique 2.29, 2.37 A)
&rst
ixpk= 674, nxpk= 25, iat= 669, 660, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 41 TYR HE 43 SER HA 5.50 (# 675:25 Unique 2.73, 4.66 A)
&rst
ixpk= 675, nxpk= 25, iat= -1, 660, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 631, 636,
&end
#
# 0 AMB 25-2:677 43 SER HA 4.50 (# 677:25 Single Ambig)
&rst
ixpk= 677, nxpk= 25, iat= -1, 660, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 190, 191, 190, 191,
&end
#
# 128 ASP HB+ 125 ARG HA 4.50 (# 678:25 Unique 2.33, 3.23 A)
&rst
ixpk= 678, nxpk= 25, iat= -1,1915, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1974,1975,
&end
#
# 0 AMB 25-2:679 125 ARG HA 2.80 (# 679:25 Single Ambig)
&rst
ixpk= 679, nxpk= 25, iat= -1,1915, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1917,1918,1917,1918,
&end
#
# 134 ILE HN 131 ALA HA 5.50 (# 680:25 Unique 3.49, 3.96 A)
&rst
ixpk= 680, nxpk= 25, iat=2056,2007, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 125 ARG HN 125 ARG HA 3.50 (# 681:25 Unique 2.79, 2.84 A)
&rst
ixpk= 681, nxpk= 25, iat=1913,1915, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 128 ASP HN 125 ARG HA 5.50 (# 682:25 Unique 3.09, 3.57 A)
&rst
ixpk= 682, nxpk= 25, iat=1970,1915, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 91 THR HN 91 THR HB 3.50 (# 683:25 Unique 2.49, 2.61 A)
&rst
ixpk= 683, nxpk= 25, iat=1421,1425, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:684 91 THR HB 5.50 (# 684:25 Single Ambig)
&rst
ixpk= 684, nxpk= 25, iat= -1,1425, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1435,1324,
&end
#
# 91 THR MG2 91 THR HB 2.80 (# 685:25 Unique 2.43, 2.67 A)
&rst
ixpk= 685, nxpk= 25, iat= -1,1425, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1427,1428,1429,
&end
#
# 0 AMB 25-2:686 131 ALA HA 5.50 (# 686:25 Single Ambig)
&rst
ixpk= 686, nxpk= 25, iat= -1,2007, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2050,2051,2052,2060,2019,2020,
&end
#
# 135 LEU MDX 131 ALA HA 5.50 (# 687:25 Unique 4.06, 6.22 A)
&rst
ixpk= 687, nxpk= 25, iat= -1,2007, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2084,2085,2086,2088,2089,2090,
&end
#
# 131 ALA MB 131 ALA HA 2.80 (# 688:25 Unique 2.34, 2.66 A)
&rst
ixpk= 688, nxpk= 25, iat= -1,2007, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2009,2010,2011,
&end
#
# 134 ILE HG1+ 131 ALA HA 4.50 (# 689:25 Unique 2.25, 3.90 A)
&rst
ixpk= 689, nxpk= 25, iat= -1,2007, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2066,2067,
&end
#
# 134 ILE MD1 131 ALA HA 3.50 (# 690:25 Unique 2.78, 4.40 A)
&rst
ixpk= 690, nxpk= 25, iat= -1,2007, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2069,2070,2071,
&end
#
# 131 ALA HN 131 ALA HA 4.50 (# 691:25 Unique 2.80, 2.88 A)
&rst
ixpk= 691, nxpk= 25, iat=2005,2007, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 9 GLN HG+ 9 GLN HA 4.50 (# 692:25 Unique 2.31, 3.27 A)
&rst
ixpk= 692, nxpk= 25, iat= -1, 123, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 128, 129,
&end
#
# 0 AMB 25-2:694 0 AMB 25-1:694 4.50 (# 694:25 Double Ambig)
&rst
ixpk= 694, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 216, 217, 125, 126,1076,1077,1073,1074,1073,1074,
igr2= 211, 123,
&end
#
# 136 SER HN 136 SER HB+ 5.50 (# 695:25 Unique 2.43, 3.58 A)
&rst
ixpk= 695, nxpk= 25, iat=2094, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2098,2099,
&end
#
# 81 GLU HN 80 SER HA 5.50 (# 697:25 Unique 2.72, 3.12 A)
&rst
ixpk= 697, nxpk= 25, iat=1261,1252, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 137 LEU HB- 138 PRO HD- 4.50 (# 698:25 Unique 2.16, 4.56 A)
&rst
ixpk= 698, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2109,2110,
igr2=2125,2126,
&end
#
# 0 AMB 25-2:699 138 PRO HD- 3.50 (# 699:25 Single Ambig)
&rst
ixpk= 699, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2128,2129,2128,2129,
igr2=2125,2126,
&end
#
# 0 AMB 25-2:700 138 PRO HD- 4.50 (# 700:25 Single Ambig)
&rst
ixpk= 700, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.25, r4= 9.00,
igr1=2112,2114,2115,2116,2118,2119,2120,2114,2115,2116,
2118,2119,2120,2084,2085,2086,2088,2089,2090,
igr2=2125,2126,
&end
#
# 95 THR MG2 80 SER HA 2.80 (# 701:25 Unique 2.22, 2.75 A)
&rst
ixpk= 701, nxpk= 25, iat= -1,1252, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1492,1493,1494,
&end
#
# 80 SER HN 80 SER HA 3.50 (# 702:25 Unique 2.10, 2.17 A)
&rst
ixpk= 702, nxpk= 25, iat=1250,1252, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 51 GLN HN 50 GLY HA+ 5.50 (# 703:25 Unique 2.98, 3.35 A)
&rst
ixpk= 703, nxpk= 25, iat= 776, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 771, 772,
&end
#
# 0 AMB 25-2:704 15 GLN HA 5.50 (# 704:25 Single Ambig)
&rst
ixpk= 704, nxpk= 25, iat= -1, 211, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1582,1583,1584,1586,1587,1588, 170, 171,
&end
#
# 9 GLN HN 9 GLN HA 5.50 (# 706:25 Unique 2.86, 2.90 A)
&rst
ixpk= 706, nxpk= 25, iat= 121, 123, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 GLY HN 50 GLY HA+ 3.50 (# 707:25 Unique 2.23, 2.58 A)
&rst
ixpk= 707, nxpk= 25, iat= 769, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 771, 772,
&end
#
# 137 LEU HA 138 PRO HD- 3.50 (# 708:25 Unique 2.05, 2.59 A)
&rst
ixpk= 708, nxpk= 25, iat=2107, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2125,2126,
&end
#
# 79 VAL HA 80 SER HA 4.50 (# 709:25 Unique 4.19, 4.36 A)
&rst
ixpk= 709, nxpk= 25, iat=1236,1252, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 133 MET HN 133 MET HA 4.50 (# 710:25 Unique 2.68, 2.78 A)
&rst
ixpk= 710, nxpk= 25, iat=2039,2041, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 18 ALA HN 15 GLN HA 5.50 (# 711:25 Unique 3.27, 3.41 A)
&rst
ixpk= 711, nxpk= 25, iat= 259, 211, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:712 0 AMB 25-1:712 5.50 (# 712:25 Double Ambig)
&rst
ixpk= 712, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 203, 204, 205,1545,2066,2067,
igr2= 211,2041,
&end
#
# 65 VAL MGY 107 SER HB+ 4.50 (# 713:25 Unique 2.25, 5.48 A)
&rst
ixpk= 713, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 999,1000,1001,1003,1004,1005,
igr2=1664,1665,
&end
#
# 118 MET HB- 115 SER HB+ 5.50 (# 714:25 Unique 2.33, 4.82 A)
&rst
ixpk= 714, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1816,1817,
igr2=1777,1778,
&end
#
# 105 TYR HE 107 SER HB+ 5.50 (# 715:25 Unique 2.79, 5.14 A)
&rst
ixpk= 715, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1630,1635,
igr2=1664,1665,
&end
#
# 133 MET HB- 133 MET HA 2.80 (# 716:25 Unique 2.35, 2.69 A)
&rst
ixpk= 716, nxpk= 25, iat= -1,2041, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2043,2044,
&end
#
# 107 SER HN 107 SER HB+ 5.50 (# 717:25 Unique 2.64, 3.38 A)
&rst
ixpk= 717, nxpk= 25, iat=1660, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1664,1665,
&end
#
# 0 AMB 25-2:718 0 AMB 25-1:718 2.80 (# 718:25 Double Ambig)
&rst
ixpk= 718, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 216, 217, 125, 126,
igr2= 211, 123,
&end
#
# 18 ALA MB 15 GLN HA 3.50 (# 719:25 Unique 2.67, 3.75 A)
&rst
ixpk= 719, nxpk= 25, iat= -1, 211, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 263, 264, 265,
&end
#
# 0 AMB 25-2:720 15 GLN HA 2.80 (# 720:25 Single Ambig)
&rst
ixpk= 720, nxpk= 25, iat= -1, 211, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 213, 214, 213, 214,
&end
#
# 0 AMB 25-2:721 0 AMB 25-1:721 3.50 (# 721:25 Double Ambig)
&rst
ixpk= 721, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 209, 226,2105,
igr2= 211,2041,
&end
#
# 107 SER HA 107 SER HB+ 4.50 (# 722:25 Unique 2.36, 2.64 A)
&rst
ixpk= 722, nxpk= 25, iat=1662, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1664,1665,
&end
#
# 16 VAL MGY 15 GLN HA 5.50 (# 724:25 Unique 5.49, 6.96 A)
&rst
ixpk= 724, nxpk= 25, iat= -1, 211, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 232, 233, 234, 236, 237, 238,
&end
#
# 0 AMB 25-2:725 0 AMB 25-1:725 3.50 (# 725:25 Double Ambig)
&rst
ixpk= 725, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2056, 269,
igr2=2041, 211,
&end
#
# 108 CYS HN 107 SER HB+ 5.50 (# 726:25 Unique 2.58, 3.42 A)
&rst
ixpk= 726, nxpk= 25, iat=1671, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1664,1665,
&end
#
# 0 AMB 25-2:727 14 ALA HA 5.50 (# 727:25 Single Ambig)
&rst
ixpk= 727, nxpk= 25, iat= -1, 201, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 184, 185, 648, 649, 650, 652, 653, 654,
&end
#
# 122 GLU HG+ 122 GLU HA 3.50 (# 728:25 Unique 2.41, 3.17 A)
&rst
ixpk= 728, nxpk= 25, iat= -1,1876, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1881,1882,
&end
#
# 0 AMB 25-2:729 14 ALA HA 3.50 (# 729:25 Single Ambig)
&rst
ixpk= 729, nxpk= 25, iat= -1, 201, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 246, 247, 246, 247,
&end
#
# 0 AMB 25-2:730 14 ALA HA 4.50 (# 730:25 Single Ambig)
&rst
ixpk= 730, nxpk= 25, iat= -1, 201, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 209, 226,
&end
#
# 17 GLN HN 14 ALA HA 4.50 (# 731:25 Unique 3.38, 3.52 A)
&rst
ixpk= 731, nxpk= 25, iat= 242, 201, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 14 ALA MB 14 ALA HA 2.80 (# 732:25 Unique 2.44, 2.67 A)
&rst
ixpk= 732, nxpk= 25, iat= -1, 201, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 203, 204, 205,
&end
#
# 0 AMB 25-2:733 0 AMB 25-1:733 5.50 (# 733:25 Double Ambig)
&rst
ixpk= 733, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2454,2419,
igr2=2456,2457,2390,2391,
&end
#
# 14 ALA HN 14 ALA HA 3.50 (# 734:25 Unique 2.83, 2.85 A)
&rst
ixpk= 734, nxpk= 25, iat= 199, 201, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:736 0 AMB 25-1:736 5.50 (# 736:25 Double Ambig)
&rst
ixpk= 736, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1=2426,2427,2426,2427,2402,2403,2402,2403,
igr2=2456,2457,2390,2391,
&end
#
# 17 GLN HG+ 14 ALA HA 5.50 (# 737:25 Unique 4.54, 5.25 A)
&rst
ixpk= 737, nxpk= 25, iat= -1, 201, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 249, 250,
&end
#
# 0 AMB 25-2:738 0 AMB 25-1:738 5.50 (# 738:25 Double Ambig)
&rst
ixpk= 738, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1= 578, 579,1853,1854,1855,
igr2= 567, 568, 567, 568,
&end
#
# 18 ALA HN 14 ALA HA 5.50 (# 739:25 Unique 3.80, 3.95 A)
&rst
ixpk= 739, nxpk= 25, iat= 259, 201, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 MET HN 37 SER HB+ 5.50 (# 742:25 Unique 2.83, 4.13 A)
&rst
ixpk= 742, nxpk= 25, iat= 574, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 567, 568,
&end
#
# 37 SER HN 37 SER HB+ 5.50 (# 743:25 Unique 2.50, 3.22 A)
&rst
ixpk= 743, nxpk= 25, iat= 563, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 567, 568,
&end
#
# 37 SER HA 37 SER HB+ 2.80 (# 744:25 Unique 2.32, 2.71 A)
&rst
ixpk= 744, nxpk= 25, iat= 565, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 567, 568,
&end
#
# 0 AMB 25-2:746 95 THR HB 5.50 (# 746:25 Single Ambig)
&rst
ixpk= 746, nxpk= 25, iat= -1,1490, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1673,1518,1519,
&end
#
# 95 THR HA 95 THR HB 4.50 (# 747:25 Unique 3.03, 3.04 A)
&rst
ixpk= 747, nxpk= 25, iat=1488,1490, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:748 122 GLU HA 2.80 (# 748:25 Single Ambig)
&rst
ixpk= 748, nxpk= 25, iat= -1,1876, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1881,1882,1878,1879,
&end
#
# 95 THR MG2 95 THR HB 2.80 (# 749:25 Unique 2.45, 2.67 A)
&rst
ixpk= 749, nxpk= 25, iat= -1,1490, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1492,1493,1494,
&end
#
# 95 THR HN 95 THR HB 3.50 (# 750:25 Unique 2.51, 2.56 A)
&rst
ixpk= 750, nxpk= 25, iat=1486,1490, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:751 122 GLU HA 2.80 (# 751:25 Single Ambig)
&rst
ixpk= 751, nxpk= 25, iat= -1,1876, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1917,1918,1917,1918,1878,1879,
&end
#
# 105 TYR HD 107 SER HB+ 5.50 (# 752:25 Unique 3.58, 6.00 A)
&rst
ixpk= 752, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1628,1637,
igr2=1664,1665,
&end
#
# 82 LYS HA 95 THR HB 5.50 (# 753:25 Unique 5.09, 5.17 A)
&rst
ixpk= 753, nxpk= 25, iat=1278,1490, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 VAL MGY 107 SER HB- 4.50 (# 754:25 Unique 2.25, 5.48 A)
&rst
ixpk= 754, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 999,1000,1001,1003,1004,1005,
igr2=1664,1665,
&end
#
# 107 SER HN 95 THR HB 5.50 (# 755:25 Unique 3.67, 3.85 A)
&rst
ixpk= 755, nxpk= 25, iat=1660,1490, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 122 GLU HN 122 GLU HA 3.50 (# 756:25 Unique 2.86, 2.89 A)
&rst
ixpk= 756, nxpk= 25, iat=1874,1876, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:757 122 GLU HA 4.50 (# 757:25 Single Ambig)
&rst
ixpk= 757, nxpk= 25, iat= -1,1876, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1937,1889,
&end
#
# 126 LEU HB- 122 GLU HA 3.50 (# 758:25 Unique 3.27, 4.31 A)
&rst
ixpk= 758, nxpk= 25, iat= -1,1876, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1941,1942,
&end
#
# 0 AMB 25-2:759 95 THR HB 5.50 (# 759:25 Single Ambig)
&rst
ixpk= 759, nxpk= 25, iat= -1,1490, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1500,1516,
&end
#
# 107 SER HA 107 SER HB- 4.50 (# 760:25 Unique 2.36, 2.64 A)
&rst
ixpk= 760, nxpk= 25, iat=1662, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1664,1665,
&end
#
# 105 TYR HD 107 SER HB- 5.50 (# 761:25 Unique 3.58, 6.00 A)
&rst
ixpk= 761, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1628,1637,
igr2=1664,1665,
&end
#
# 105 TYR HE 107 SER HB- 5.50 (# 762:25 Unique 2.79, 5.14 A)
&rst
ixpk= 762, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1630,1635,
igr2=1664,1665,
&end
#
# 108 CYS HN 107 SER HB- 5.50 (# 763:25 Unique 2.58, 3.42 A)
&rst
ixpk= 763, nxpk= 25, iat=1671, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1664,1665,
&end
#
# 107 SER HN 107 SER HB- 5.50 (# 764:25 Unique 2.64, 3.38 A)
&rst
ixpk= 764, nxpk= 25, iat=1660, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1664,1665,
&end
#
# 89 TYR HD 134 ILE HA 5.50 (# 768:25 Unique 2.42, 4.02 A)
&rst
ixpk= 768, nxpk= 25, iat= -1,2058, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1401,1410,
&end
#
# 134 ILE MG2 134 ILE HA 3.50 (# 769:25 Unique 2.32, 3.12 A)
&rst
ixpk= 769, nxpk= 25, iat= -1,2058, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2062,2063,2064,
&end
#
# 0 AMB 25-2:770 39 PRO HD- 5.50 (# 770:25 Single Ambig)
&rst
ixpk= 770, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1846,1847,1848, 585, 586, 587,
igr2= 592, 593,
&end
#
# 39 PRO HB- 39 PRO HD- 4.50 (# 771:25 Unique 2.64, 3.62 A)
&rst
ixpk= 771, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 598, 599,
igr2= 592, 593,
&end
#
# 38 MET HA 39 PRO HD- 4.50 (# 772:25 Unique 2.07, 2.44 A)
&rst
ixpk= 772, nxpk= 25, iat= 576, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 592, 593,
&end
#
# 0 AMB 25-2:773 134 ILE HA 4.50 (# 773:25 Single Ambig)
&rst
ixpk= 773, nxpk= 25, iat= -1,2058, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=2060,1383,1384,
&end
#
# 0 AMB 25-2:774 134 ILE HA 4.50 (# 774:25 Single Ambig)
&rst
ixpk= 774, nxpk= 25, iat= -1,2058, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1397,1398,2046,2047,2046,2047,
&end
#
# 110 LEU HN 0 AMB 25-1:775 5.50 (# 775:25 Single Ambig)
&rst
ixpk= 775, nxpk= 25, iat=1693, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1686,1687,1686,1687,
&end
#
# 89 TYR HE 134 ILE HA 5.50 (# 776:25 Unique 3.77, 5.52 A)
&rst
ixpk= 776, nxpk= 25, iat= -1,2058, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1403,1408,
&end
#
# 0 AMB 25-2:777 39 PRO HD- 4.50 (# 777:25 Single Ambig)
&rst
ixpk= 777, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 578, 579, 871, 872, 873,
igr2= 592, 593,
&end
#
# 46 THR MG2 46 THR HB 3.50 (# 778:25 Unique 2.35, 2.65 A)
&rst
ixpk= 778, nxpk= 25, iat= -1, 705, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 707, 708, 709,
&end
#
# 135 LEU MDX 46 THR HB 3.50 (# 779:25 Unique 2.65, 5.07 A)
&rst
ixpk= 779, nxpk= 25, iat= -1, 705, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2084,2085,2086,2088,2089,2090,
&end
#
# 45 PHE HA 46 THR HB 5.50 (# 780:25 Unique 4.04, 4.38 A)
&rst
ixpk= 780, nxpk= 25, iat= 683, 705, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 THR HN 46 THR HB 5.50 (# 781:25 Unique 2.00, 2.40 A)
&rst
ixpk= 781, nxpk= 25, iat= 701, 705, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 LEU HN 46 THR HB 5.50 (# 783:25 Unique 3.59, 3.88 A)
&rst
ixpk= 783, nxpk= 25, iat= 715, 705, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:784 121 GLU HA 5.50 (# 784:25 Single Ambig)
&rst
ixpk= 784, nxpk= 25, iat= -1,1861, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1913,1874,
&end
#
# 0 AMB 25-2:785 121 GLU HA 4.50 (# 785:25 Single Ambig)
&rst
ixpk= 785, nxpk= 25, iat= -1,1861, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1903,1904,1900,1901,
&end
#
# 121 GLU HB+ 121 GLU HA 2.80 (# 786:25 Unique 2.41, 2.77 A)
&rst
ixpk= 786, nxpk= 25, iat= -1,1861, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1863,1864,
&end
#
# 121 GLU HG- 121 GLU HA 2.80 (# 787:25 Unique 2.35, 2.90 A)
&rst
ixpk= 787, nxpk= 25, iat= -1,1861, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1866,1867,
&end
#
# 121 GLU HN 121 GLU HA 3.50 (# 788:25 Unique 2.81, 2.87 A)
&rst
ixpk= 788, nxpk= 25, iat=1859,1861, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:789 121 GLU HA 3.50 (# 789:25 Single Ambig)
&rst
ixpk= 789, nxpk= 25, iat= -1,1861, r1= 0.00, r2= 1.80, r3= 4.84, r4= 5.59,
igr1=1900,1901,1920,1921,1920,1921,1844,
&end
#
# 124 GLN HN 121 GLU HA 5.50 (# 790:25 Unique 2.87, 3.41 A)
&rst
ixpk= 790, nxpk= 25, iat=1896,1861, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:791 121 GLU HA 3.50 (# 791:25 Single Ambig)
&rst
ixpk= 791, nxpk= 25, iat= -1,1861, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1863,1864,1917,1918,
&end
#
# 109 SER HN 0 AMB 25-1:792 5.50 (# 792:25 Single Ambig)
&rst
ixpk= 792, nxpk= 25, iat=1682, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1686,1687,1686,1687,
&end
#
# 0 AMB 25-2:793 136 SER HB- 4.50 (# 793:25 Single Ambig)
&rst
ixpk= 793, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.75, r4= 8.50,
igr1=2114,2115,2116,2118,2119,2120,2114,2115,2116,2118,
2119,2120,2112,
igr2=2098,2099,
&end
#
# 0 AMB 25-2:794 37 SER HB- 4.50 (# 794:25 Single Ambig)
&rst
ixpk= 794, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 578, 579,1853,1854,1855,
igr2= 567, 568,
&end
#
# 120 ILE MG2 121 GLU HA 5.50 (# 795:25 Unique 3.42, 5.58 A)
&rst
ixpk= 795, nxpk= 25, iat= -1,1861, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1846,1847,1848,
&end
#
# 110 LEU HN 0 AMB 25-1:796 5.50 (# 796:25 Single Ambig)
&rst
ixpk= 796, nxpk= 25, iat=1693, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1686,1687,1686,1687,
&end
#
# 38 MET HN 37 SER HB- 5.50 (# 797:25 Unique 2.83, 4.13 A)
&rst
ixpk= 797, nxpk= 25, iat= 574, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 567, 568,
&end
#
# 37 SER HN 37 SER HB- 5.50 (# 798:25 Unique 2.50, 3.22 A)
&rst
ixpk= 798, nxpk= 25, iat= 563, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 567, 568,
&end
#
# 65 VAL MGY 63 SER HB+ 5.50 (# 799:25 Unique 2.96, 5.66 A)
&rst
ixpk= 799, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 999,1000,1001,1003,1004,1005,
igr2= 976, 977,
&end
#
# 107 SER HA 63 SER HB+ 5.50 (# 801:25 Unique 3.91, 4.99 A)
&rst
ixpk= 801, nxpk= 25, iat=1662, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 976, 977,
&end
#
# 61 MET ME 63 SER HB+ 5.50 (# 802:25 Unique 3.41, 5.49 A)
&rst
ixpk= 802, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 947, 948, 949,
igr2= 976, 977,
&end
#
# 109 SER HA 63 SER HB+ 5.50 (# 804:25 Unique 2.10, 3.29 A)
&rst
ixpk= 804, nxpk= 25, iat=1684, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 976, 977,
&end
#
# 57 ILE MD1 123 GLY HA+ 5.50 (# 805:25 Unique 2.07, 3.40 A)
&rst
ixpk= 805, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 878, 879, 880,
igr2=1891,1892,
&end
#
# 0 AMB 25-2:806 0 AMB 25-1:806 5.50 (# 806:25 Double Ambig)
&rst
ixpk= 806, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1700, 987, 988, 989, 957, 958,
igr2= 976, 977, 976, 977, 976, 977,
&end
#
# 56 VAL MGX 63 SER HB+ 5.50 (# 807:25 Unique 2.19, 5.02 A)
&rst
ixpk= 807, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 855, 856, 857, 859, 860, 861,
igr2= 976, 977,
&end
#
# 63 SER HA 63 SER HB+ 4.50 (# 808:25 Unique 2.36, 2.72 A)
&rst
ixpk= 808, nxpk= 25, iat= 974, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 976, 977,
&end
#
# 0 AMB 25-2:809 0 AMB 25-1:809 4.50 (# 809:25 Double Ambig)
&rst
ixpk= 809, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 983, 849,1682,
igr2= 976, 977, 976, 977, 976, 977,
&end
#
# 63 SER HN 63 SER HB+ 5.50 (# 810:25 Unique 2.52, 3.28 A)
&rst
ixpk= 810, nxpk= 25, iat= 972, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 976, 977,
&end
#
# 9 GLN HE2- 70 PRO HA 5.50 (# 814:25 Unique 3.95, 5.02 A)
&rst
ixpk= 814, nxpk= 25, iat= -1,1079, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 133, 134,
&end
#
# 0 AMB 25-2:815 0 AMB 25-1:815 3.50 (# 815:25 Double Ambig)
&rst
ixpk= 815, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=2231,2232,1162,1163,
igr2=2225,2226,1156,1157,
&end
#
# 0 AMB 25-2:816 0 AMB 25-1:816 3.50 (# 816:25 Double Ambig)
&rst
ixpk= 816, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=2214,2215,2216,2218,2219,2220,2214,2215,2216,2218,
2219,2220,
igr2=2225,2226,2225,2226,
&end
#
# 71 ASP HN 70 PRO HA 3.50 (# 817:25 Unique 2.09, 2.31 A)
&rst
ixpk= 817, nxpk= 25, iat=1083,1079, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:818 0 AMB 25-1:818 5.50 (# 818:25 Double Ambig)
&rst
ixpk= 818, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1889,1937,
igr2=1891,1892,1891,1892,
&end
#
# 0 AMB 25-2:819 0 AMB 25-1:819 2.80 (# 819:25 Double Ambig)
&rst
ixpk= 819, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=2210,2234,2192,
igr2=2225,2226,2225,2226,2183,2184,
&end
#
# 91 THR HN 90 GLY HA- 3.50 (# 820:25 Unique 2.26, 2.65 A)
&rst
ixpk= 820, nxpk= 25, iat=1421, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1416,1417,
&end
#
# 0 AMB 25-2:822 70 PRO HA 3.50 (# 822:25 Single Ambig)
&rst
ixpk= 822, nxpk= 25, iat= -1,1079, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1076,1077,1073,1074,1073,1074, 125, 126,
&end
#
# 0 AMB 25-2:823 0 AMB 25-1:823 3.50 (# 823:25 Double Ambig)
&rst
ixpk= 823, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 406, 417,
igr2= 410, 411, 410, 411,
&end
#
# 90 GLY HN 90 GLY HA- 4.50 (# 824:25 Unique 2.41, 2.79 A)
&rst
ixpk= 824, nxpk= 25, iat=1414, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1416,1417,
&end
#
# 24 ALA HN 23 ILE HA 5.50 (# 825:25 Unique 3.57, 3.59 A)
&rst
ixpk= 825, nxpk= 25, iat= 348, 331, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:826 0 AMB 25-1:826 2.80 (# 826:25 Double Ambig)
&rst
ixpk= 826, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1=2228,2229,2228,2229,2186,2187,2186,2187,2186,2187,
2189,2190,
igr2=2225,2226,2225,2226,2183,2184,2183,2184,2183,2184,
2183,2184,
&end
#
# 0 AMB 25-2:827 0 AMB 25-1:827 5.50 (# 827:25 Double Ambig)
&rst
ixpk= 827, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1070,1071,1070,1071, 550, 551,
igr2=1079, 567, 568,
&end
#
# 0 AMB 25-2:828 0 AMB 25-1:828 4.50 (# 828:25 Double Ambig)
&rst
ixpk= 828, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=2172,2173,2172,2173,
igr2=2183,2184,2183,2184,
&end
#
# 0 AMB 25-2:829 0 AMB 25-1:829 5.50 (# 829:25 Double Ambig)
&rst
ixpk= 829, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 878, 879, 880,1946,1947,1948,1950,1951,1952,
igr2=1891,1892,1891,1892,
&end
#
# 141 ASN HA 0 AMB 25-1:830 2.80 (# 830:25 Single Ambig)
&rst
ixpk= 830, nxpk= 25, iat=2170, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=2183,2184,2183,2184,
&end
#
# 0 AMB 25-2:831 0 AMB 25-1:831 3.50 (# 831:25 Double Ambig)
&rst
ixpk= 831, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=2231,2232,2189,2190,2189,2190,
igr2=2225,2226,2183,2184,2183,2184,
&end
#
# 0 AMB 25-2:832 0 AMB 25-1:832 5.50 (# 832:25 Double Ambig)
&rst
ixpk= 832, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2196,2255,
igr2=2183,2184,2183,2184,2225,2226,
&end
#
# 144 VAL HN 0 AMB 25-1:833 5.50 (# 833:25 Single Ambig)
&rst
ixpk= 833, nxpk= 25, iat=2208, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2225,2226,2183,2184,2183,2184,
&end
#
# 0 AMB 25-2:834 0 AMB 25-1:834 5.50 (# 834:25 Double Ambig)
&rst
ixpk= 834, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=2172,2173,2200,2201,2200,2201,
igr2=2183,2184,2183,2184,2183,2184,
&end
#
# 23 ILE HG1+ 23 ILE HA 4.50 (# 835:25 Unique 2.64, 2.72 A)
&rst
ixpk= 835, nxpk= 25, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 339, 340,
&end
#
# 0 AMB 25-2:836 23 ILE HA 4.50 (# 836:25 Single Ambig)
&rst
ixpk= 836, nxpk= 25, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 333, 318, 319, 318, 319,
&end
#
# 0 AMB 25-2:837 23 ILE HA 5.50 (# 837:25 Single Ambig)
&rst
ixpk= 837, nxpk= 25, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 392, 393, 392, 393,
&end
#
# 0 AMB 25-2:838 23 ILE HA 4.50 (# 838:25 Single Ambig)
&rst
ixpk= 838, nxpk= 25, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 386, 387, 386, 387,
&end
#
# 23 ILE MG2 23 ILE HA 3.50 (# 839:25 Unique 2.67, 3.30 A)
&rst
ixpk= 839, nxpk= 25, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 335, 336, 337,
&end
#
# 23 ILE HG1- 23 ILE HA 3.50 (# 840:25 Unique 2.64, 2.72 A)
&rst
ixpk= 840, nxpk= 25, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 339, 340,
&end
#
# 23 ILE MD1 23 ILE HA 4.50 (# 842:25 Unique 4.56, 4.68 A)
&rst
ixpk= 842, nxpk= 25, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 342, 343, 344,
&end
#
# 0 AMB 25-2:843 23 ILE HA 3.50 (# 843:25 Single Ambig)
&rst
ixpk= 843, nxpk= 25, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 329, 382,
&end
#
# 101 GLY HN 101 GLY HA- 4.50 (# 845:25 Unique 2.28, 2.59 A)
&rst
ixpk= 845, nxpk= 25, iat=1569, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1571,1572,
&end
#
# 102 VAL HN 101 GLY HA- 5.50 (# 846:25 Unique 3.13, 3.37 A)
&rst
ixpk= 846, nxpk= 25, iat=1576, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1571,1572,
&end
#
# 0 AMB 25-2:847 0 AMB 25-1:847 4.50 (# 847:25 Double Ambig)
&rst
ixpk= 847, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 578, 579, 871, 872, 873,
igr2= 592, 593, 592, 593,
&end
#
# 38 MET HA 39 PRO HD+ 4.50 (# 848:25 Unique 2.07, 2.44 A)
&rst
ixpk= 848, nxpk= 25, iat= 576, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 592, 593,
&end
#
# 61 MET HA 112 SER HB- 5.50 (# 849:25 Unique 3.33, 4.49 A)
&rst
ixpk= 849, nxpk= 25, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1733,1734,
&end
#
# 112 SER HN 112 SER HB- 5.50 (# 850:25 Unique 2.52, 3.22 A)
&rst
ixpk= 850, nxpk= 25, iat=1729, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1733,1734,
&end
#
# 0 AMB 25-2:851 0 AMB 25-1:851 5.50 (# 851:25 Double Ambig)
&rst
ixpk= 851, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1846,1847,1848, 585, 586, 587,
igr2= 592, 593, 592, 593,
&end
#
# 112 SER HA 112 SER HB- 3.50 (# 852:25 Unique 2.38, 2.72 A)
&rst
ixpk= 852, nxpk= 25, iat=1731, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1733,1734,
&end
#
# 39 PRO HB- 39 PRO HD+ 4.50 (# 855:25 Unique 2.64, 3.62 A)
&rst
ixpk= 855, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 598, 599,
igr2= 592, 593,
&end
#
# 145 PRO HB- 145 PRO HD- 3.50 (# 856:25 Unique 2.66, 3.67 A)
&rst
ixpk= 856, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2231,2232,
igr2=2225,2226,
&end
#
# 0 AMB 25-2:857 145 PRO HD- 2.80 (# 857:25 Single Ambig)
&rst
ixpk= 857, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2228,2229,2228,2229,
igr2=2225,2226,
&end
#
# 144 VAL HA 145 PRO HD- 2.80 (# 858:25 Unique 2.02, 2.42 A)
&rst
ixpk= 858, nxpk= 25, iat=2210, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2225,2226,
&end
#
# 0 AMB 25-2:859 145 PRO HD- 3.50 (# 859:25 Single Ambig)
&rst
ixpk= 859, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2214,2215,2216,2218,2219,2220,2214,2215,2216,2218,
2219,2220,
igr2=2225,2226,
&end
#
# 145 PRO HB+ 145 PRO HD- 4.50 (# 860:25 Unique 2.66, 3.67 A)
&rst
ixpk= 860, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2231,2232,
igr2=2225,2226,
&end
#
# 44 ASP HN 0 AMB 25-1:861 5.50 (# 861:25 Single Ambig)
&rst
ixpk= 861, nxpk= 25, iat= 669, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 662, 663, 662, 663,
&end
#
# 21 GLU HN 17 GLN HA 5.50 (# 862:25 Unique 4.00, 4.08 A)
&rst
ixpk= 862, nxpk= 25, iat= 299, 244, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:863 17 GLN HA 3.50 (# 863:25 Single Ambig)
&rst
ixpk= 863, nxpk= 25, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 249, 250, 246, 247, 246, 247,
&end
#
# 0 AMB 25-2:864 17 GLN HA 5.50 (# 864:25 Single Ambig)
&rst
ixpk= 864, nxpk= 25, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 230, 213, 214,
&end
#
# 0 AMB 25-2:865 17 GLN HA 3.50 (# 865:25 Single Ambig)
&rst
ixpk= 865, nxpk= 25, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 242, 279,
&end
#
# 42 VAL MGX 17 GLN HA 3.50 (# 866:25 Unique 2.58, 4.75 A)
&rst
ixpk= 866, nxpk= 25, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 648, 649, 650, 652, 653, 654,
&end
#
# 16 VAL MGY 17 GLN HA 3.50 (# 867:25 Unique 3.51, 5.66 A)
&rst
ixpk= 867, nxpk= 25, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 232, 233, 234, 236, 237, 238,
&end
#
# 18 ALA MB 17 GLN HA 5.50 (# 868:25 Unique 5.84, 6.17 A)
&rst
ixpk= 868, nxpk= 25, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 263, 264, 265,
&end
#
# 42 VAL HB 17 GLN HA 5.50 (# 869:25 Unique 3.97, 4.75 A)
&rst
ixpk= 869, nxpk= 25, iat= 646, 244, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:870 17 GLN HA 4.50 (# 870:25 Single Ambig)
&rst
ixpk= 870, nxpk= 25, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 249, 250, 609,
&end
#
# 18 ALA HN 17 GLN HA 5.50 (# 871:25 Unique 3.61, 3.63 A)
&rst
ixpk= 871, nxpk= 25, iat= 259, 244, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:872 17 GLN HA 5.50 (# 872:25 Single Ambig)
&rst
ixpk= 872, nxpk= 25, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 283, 284, 283, 284,
&end
#
# 0 AMB 25-2:873 113 PRO HD- 3.50 (# 873:25 Single Ambig)
&rst
ixpk= 873, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1744,1745, 957, 958,
igr2=1741,1742,
&end
#
# 113 PRO HG- 113 PRO HD- 3.50 (# 874:25 Unique 2.29, 2.61 A)
&rst
ixpk= 874, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1744,1745,
igr2=1741,1742,
&end
#
# 43 SER HA 0 AMB 25-1:875 5.50 (# 875:25 Single Ambig)
&rst
ixpk= 875, nxpk= 25, iat= 660, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 662, 663, 662, 663,
&end
#
# 43 SER HN 0 AMB 25-1:876 5.50 (# 876:25 Single Ambig)
&rst
ixpk= 876, nxpk= 25, iat= 658, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 662, 663, 662, 663,
&end
#
# 0 AMB 25-2:877 0 AMB 25-1:877 4.50 (# 877:25 Double Ambig)
&rst
ixpk= 877, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1960, 671,
igr2= 662, 663, 662, 663, 662, 663,
&end
#
# 0 AMB 25-2:878 127 THR HA 5.50 (# 878:25 Single Ambig)
&rst
ixpk= 878, nxpk= 25, iat= -1,1958, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1941,1942,2009,2010,2011,
&end
#
# 0 AMB 25-2:879 123 GLY HA- 5.50 (# 879:25 Single Ambig)
&rst
ixpk= 879, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1889,1937,
igr2=1891,1892,
&end
#
# 127 THR MG2 127 THR HA 4.50 (# 880:25 Unique 2.41, 3.00 A)
&rst
ixpk= 880, nxpk= 25, iat= -1,1958, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1962,1963,1964,
&end
#
# 0 AMB 25-2:881 123 GLY HA- 5.50 (# 881:25 Single Ambig)
&rst
ixpk= 881, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 878, 879, 880,1946,1947,1948,1950,1951,1952,
igr2=1891,1892,
&end
#
# 130 CYS HN 127 THR HA 5.50 (# 882:25 Unique 3.30, 3.63 A)
&rst
ixpk= 882, nxpk= 25, iat=1994,1958, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 127 THR HB 127 THR HA 5.50 (# 883:25 Unique 3.03, 3.04 A)
&rst
ixpk= 883, nxpk= 25, iat=1960,1958, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:884 0 AMB 25-1:884 3.50 (# 884:25 Double Ambig)
&rst
ixpk= 884, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 352, 353, 354,2131,2132,
igr2= 899, 900,2125,2126,
&end
#
# 43 SER HN 0 AMB 25-1:885 5.50 (# 885:25 Single Ambig)
&rst
ixpk= 885, nxpk= 25, iat= 658, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 662, 663, 662, 663,
&end
#
# 0 AMB 25-2:886 127 THR HA 3.50 (# 886:25 Single Ambig)
&rst
ixpk= 886, nxpk= 25, iat= -1,1958, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 130 CYS HB+ 127 THR HA 5.50 (# 887:25 Unique 2.30, 3.43 A)
&rst
ixpk= 887, nxpk= 25, iat= -1,1958, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1998,1999,
&end
#
# 0 AMB 25-2:888 0 AMB 25-1:888 5.50 (# 888:25 Double Ambig)
&rst
ixpk= 888, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2131,2132, 609,
igr2=2125,2126, 899, 900,
&end
#
# 55 CYS HB- 127 THR HA 5.50 (# 889:25 Unique 2.73, 3.35 A)
&rst
ixpk= 889, nxpk= 25, iat= -1,1958, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 842, 843,
&end
#
# 0 AMB 25-2:890 127 THR HA 5.50 (# 890:25 Single Ambig)
&rst
ixpk= 890, nxpk= 25, iat= -1,1958, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1956,2005,
&end
#
# 0 AMB 25-2:891 0 AMB 25-1:891 3.50 (# 891:25 Double Ambig)
&rst
ixpk= 891, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=2109,2110, 578, 579,
igr2=2125,2126, 899, 900,
&end
#
# 137 LEU HA 138 PRO HD+ 3.50 (# 892:25 Unique 2.05, 2.59 A)
&rst
ixpk= 892, nxpk= 25, iat=2107, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2125,2126,
&end
#
# 24 ALA HA 59 PRO HD+ 5.50 (# 893:25 Unique 4.03, 5.38 A)
&rst
ixpk= 893, nxpk= 25, iat= 350, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 899, 900,
&end
#
# 0 AMB 25-2:895 0 AMB 25-1:895 2.80 (# 895:25 Double Ambig)
&rst
ixpk= 895, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=2128,2129,2128,2129,
igr2=2125,2126,2125,2126,
&end
#
# 0 AMB 25-2:896 120 ILE HA 4.50 (# 896:25 Single Ambig)
&rst
ixpk= 896, nxpk= 25, iat= -1,1842, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1840,1859,
&end
#
# 0 AMB 25-2:897 0 AMB 25-1:897 3.50 (# 897:25 Double Ambig)
&rst
ixpk= 897, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 611, 612, 613, 615, 616, 617,2112,2114,2115,2116,
2118,2119,2120,2114,2115,2116,2118,2119,2120,
igr2= 899, 900,2125,2126,2125,2126,2125,2126,
&end
#
# 0 AMB 25-2:898 120 ILE HA 5.50 (# 898:25 Single Ambig)
&rst
ixpk= 898, nxpk= 25, iat= -1,1842, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 581, 582,1823,1824,1825,
&end
#
# 0 AMB 25-2:899 120 ILE HA 5.50 (# 899:25 Single Ambig)
&rst
ixpk= 899, nxpk= 25, iat= -1,1842, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 595, 596, 595, 596,
&end
#
# 123 GLY HN 120 ILE HA 5.50 (# 900:25 Unique 2.79, 3.27 A)
&rst
ixpk= 900, nxpk= 25, iat=1889,1842, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 TRP HA 60 TRP HB+ 5.50 (# 901:25 Unique 2.21, 2.42 A)
&rst
ixpk= 901, nxpk= 25, iat= 914, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 916, 917,
&end
#
# 0 AMB 25-2:903 120 ILE HA 4.50 (# 903:25 Single Ambig)
&rst
ixpk= 903, nxpk= 25, iat= -1,1842, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 578, 579,1853,1854,1855,
&end
#
# 120 ILE HB 120 ILE HA 4.50 (# 904:25 Unique 2.38, 2.89 A)
&rst
ixpk= 904, nxpk= 25, iat=1844,1842, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 PRO HB- 120 ILE HA 5.50 (# 905:25 Unique 3.89, 6.30 A)
&rst
ixpk= 905, nxpk= 25, iat= -1,1842, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 598, 599,
&end
#
# 38 MET HA 120 ILE HA 5.50 (# 906:25 Unique 2.41, 3.28 A)
&rst
ixpk= 906, nxpk= 25, iat= 576,1842, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 TRP HN 60 TRP HB+ 5.50 (# 907:25 Unique 3.09, 3.54 A)
&rst
ixpk= 907, nxpk= 25, iat= 912, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 916, 917,
&end
#
# 0 AMB 25-2:908 120 ILE HA 3.50 (# 908:25 Single Ambig)
&rst
ixpk= 908, nxpk= 25, iat= -1,1842, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1846,1847,1848, 585, 586, 587,
&end
#
# 39 PRO HD- 120 ILE HA 5.50 (# 909:25 Unique 1.92, 3.39 A)
&rst
ixpk= 909, nxpk= 25, iat= -1,1842, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 592, 593,
&end
#
# 0 AMB 25-2:910 120 ILE HA 4.50 (# 910:25 Single Ambig)
&rst
ixpk= 910, nxpk= 25, iat= -1,1842, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1850,1851,1850,1851,
&end
#
# 0 AMB 25-2:911 7 GLY HA- 5.50 (# 911:25 Single Ambig)
&rst
ixpk= 911, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1095, 101,
igr2= 96, 97,
&end
#
# 7 GLY HN 7 GLY HA- 5.50 (# 912:25 Unique 2.28, 2.66 A)
&rst
ixpk= 912, nxpk= 25, iat= 94, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 96, 97,
&end
#
# 8 PHE HA 8 PHE HB+ 5.50 (# 914:25 Unique 2.36, 2.74 A)
&rst
ixpk= 914, nxpk= 25, iat= 103, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 105, 106,
&end
#
# 85 LEU HN 84 GLY HA- 3.50 (# 915:25 Unique 2.16, 2.75 A)
&rst
ixpk= 915, nxpk= 25, iat=1324, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1319,1320,
&end
#
# 0 AMB 25-2:916 0 AMB 25-1:916 5.50 (# 916:25 Double Ambig)
&rst
ixpk= 916, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 999,1000,1001,1003,1004,1005,1458,1459,1460,
igr2= 833, 834,1319,1320,
&end
#
# 84 GLY HN 84 GLY HA- 3.50 (# 917:25 Unique 2.31, 2.63 A)
&rst
ixpk= 917, nxpk= 25, iat=1317, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1319,1320,
&end
#
# 40 VAL MGX 59 PRO HD- 5.50 (# 918:25 Unique 2.15, 4.74 A)
&rst
ixpk= 918, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 899, 900,
&end
#
# 8 PHE HN 8 PHE HB+ 5.50 (# 919:25 Unique 2.44, 3.16 A)
&rst
ixpk= 919, nxpk= 25, iat= 101, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 105, 106,
&end
#
# 59 PRO HG- 59 PRO HD- 4.50 (# 920:25 Unique 2.32, 2.61 A)
&rst
ixpk= 920, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 902, 903,
igr2= 899, 900,
&end
#
# 0 AMB 25-2:921 0 AMB 25-1:921 5.50 (# 921:25 Double Ambig)
&rst
ixpk= 921, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=2009,2010,2011,1302,
igr2= 833, 834,1319,1320,
&end
#
# 58 THR HA 59 PRO HD- 5.50 (# 922:25 Unique 2.19, 2.84 A)
&rst
ixpk= 922, nxpk= 25, iat= 886, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 899, 900,
&end
#
# 0 AMB 25-2:923 0 AMB 25-1:923 4.50 (# 923:25 Double Ambig)
&rst
ixpk= 923, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 556, 557, 943, 944,
igr2= 899, 900,1741,1742,
&end
#
# 113 PRO HG- 113 PRO HD+ 3.50 (# 925:25 Unique 2.29, 2.61 A)
&rst
ixpk= 925, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1744,1745,
igr2=1741,1742,
&end
#
# 0 AMB 25-2:926 0 AMB 25-1:926 3.50 (# 926:25 Double Ambig)
&rst
ixpk= 926, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1744,1745, 352, 353, 354,1716,1717, 957, 958,
igr2=1741,1742, 899, 900,1741,1742,1741,1742,
&end
#
# 0 AMB 25-2:927 63 SER HB- 4.50 (# 927:25 Single Ambig)
&rst
ixpk= 927, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 947, 948, 949,1675,1676,
igr2= 976, 977,
&end
#
# 0 AMB 25-2:929 63 SER HB- 5.50 (# 929:25 Single Ambig)
&rst
ixpk= 929, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 983, 849,1682,
igr2= 976, 977,
&end
#
# 63 SER HA 63 SER HB- 4.50 (# 930:25 Unique 2.36, 2.72 A)
&rst
ixpk= 930, nxpk= 25, iat= 974, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 976, 977,
&end
#
# 49 GLU HB+ 49 GLU HA 3.50 (# 931:25 Unique 2.40, 2.77 A)
&rst
ixpk= 931, nxpk= 25, iat= -1, 756, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 758, 759,
&end
#
# 108 CYS HN 63 SER HB- 5.50 (# 932:25 Unique 2.93, 3.89 A)
&rst
ixpk= 932, nxpk= 25, iat=1671, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 976, 977,
&end
#
# 56 VAL MGX 63 SER HB- 5.50 (# 933:25 Unique 2.19, 5.02 A)
&rst
ixpk= 933, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 855, 856, 857, 859, 860, 861,
igr2= 976, 977,
&end
#
# 0 AMB 25-2:934 49 GLU HA 2.80 (# 934:25 Single Ambig)
&rst
ixpk= 934, nxpk= 25, iat= -1, 756, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 761, 762, 758, 759,
&end
#
# 49 GLU HG- 49 GLU HA 3.50 (# 935:25 Unique 2.31, 3.15 A)
&rst
ixpk= 935, nxpk= 25, iat= -1, 756, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 761, 762,
&end
#
# 65 VAL MGY 63 SER HB- 5.50 (# 936:25 Unique 2.96, 5.66 A)
&rst
ixpk= 936, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 999,1000,1001,1003,1004,1005,
igr2= 976, 977,
&end
#
# 63 SER HN 63 SER HB- 5.50 (# 937:25 Unique 2.52, 3.28 A)
&rst
ixpk= 937, nxpk= 25, iat= 972, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 976, 977,
&end
#
# 49 GLU HN 49 GLU HA 3.50 (# 938:25 Unique 2.24, 2.53 A)
&rst
ixpk= 938, nxpk= 25, iat= 754, 756, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 50 GLY HN 49 GLU HA 4.50 (# 940:25 Unique 2.21, 2.75 A)
&rst
ixpk= 940, nxpk= 25, iat= 769, 756, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:941 49 GLU HA 4.50 (# 941:25 Single Ambig)
&rst
ixpk= 941, nxpk= 25, iat= -1, 756, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 736, 717, 778,
&end
#
# 0 AMB 25-2:942 63 SER HB- 5.50 (# 942:25 Single Ambig)
&rst
ixpk= 942, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1700, 987, 988, 989,
igr2= 976, 977,
&end
#
# 57 ILE MG2 124 GLN HA 5.50 (# 943:25 Unique 3.13, 4.88 A)
&rst
ixpk= 943, nxpk= 25, iat= -1,1898, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 871, 872, 873,
&end
#
# 41 TYR HD 124 GLN HA 4.50 (# 944:25 Unique 2.31, 3.94 A)
&rst
ixpk= 944, nxpk= 25, iat= -1,1898, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 629, 638,
&end
#
# 125 ARG HN 124 GLN HA 5.50 (# 945:25 Unique 3.58, 3.61 A)
&rst
ixpk= 945, nxpk= 25, iat=1913,1898, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:946 124 GLN HA 5.50 (# 946:25 Single Ambig)
&rst
ixpk= 946, nxpk= 25, iat= -1,1898, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1891,1892, 662, 663, 662, 663,
&end
#
# 0 AMB 25-2:947 124 GLN HA 5.50 (# 947:25 Single Ambig)
&rst
ixpk= 947, nxpk= 25, iat= -1,1898, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1891,1892,1861, 592, 593,
&end
#
# 127 THR HB 124 GLN HA 4.50 (# 948:25 Unique 2.91, 3.34 A)
&rst
ixpk= 948, nxpk= 25, iat=1960,1898, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:949 124 GLN HA 4.50 (# 949:25 Single Ambig)
&rst
ixpk= 949, nxpk= 25, iat= -1,1898, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1903,1904, 595, 596, 595, 596,
&end
#
# 127 THR HN 124 GLN HA 5.50 (# 950:25 Unique 3.31, 3.77 A)
&rst
ixpk= 950, nxpk= 25, iat=1956,1898, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 GLU HN 79 VAL HA 5.50 (# 951:25 Unique 4.66, 5.06 A)
&rst
ixpk= 951, nxpk= 25, iat=1523,1236, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:952 124 GLN HA 2.80 (# 952:25 Single Ambig)
&rst
ixpk= 952, nxpk= 25, iat= -1,1898, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1900,1901,1903,1904,
&end
#
# 0 AMB 25-2:953 79 VAL HA 5.50 (# 953:25 Single Ambig)
&rst
ixpk= 953, nxpk= 25, iat= -1,1236, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1214,1254,1255,
&end
#
# 124 GLN HB- 124 GLN HA 4.50 (# 954:25 Unique 2.25, 2.74 A)
&rst
ixpk= 954, nxpk= 25, iat= -1,1898, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1900,1901,
&end
#
# 80 SER HA 79 VAL HA 4.50 (# 955:25 Unique 4.19, 4.36 A)
&rst
ixpk= 955, nxpk= 25, iat=1252,1236, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 TYR HE 124 GLN HA 5.50 (# 956:25 Unique 2.40, 4.23 A)
&rst
ixpk= 956, nxpk= 25, iat= -1,1898, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 631, 636,
&end
#
# 124 GLN HN 124 GLN HA 5.50 (# 957:25 Unique 2.80, 2.89 A)
&rst
ixpk= 957, nxpk= 25, iat=1896,1898, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 VAL HN 79 VAL HA 4.50 (# 958:25 Unique 2.73, 2.90 A)
&rst
ixpk= 958, nxpk= 25, iat=1234,1236, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 96 VAL MGX 79 VAL HA 3.50 (# 959:25 Unique 2.23, 4.02 A)
&rst
ixpk= 959, nxpk= 25, iat= -1,1236, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 79 VAL HB 79 VAL HA 3.50 (# 960:25 Unique 2.18, 2.79 A)
&rst
ixpk= 960, nxpk= 25, iat=1238,1236, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 VAL MGY 79 VAL HA 3.50 (# 961:25 Unique 2.46, 3.30 A)
&rst
ixpk= 961, nxpk= 25, iat= -1,1236, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1240,1241,1242,1244,1245,1246,
&end
#
# 81 GLU HN 79 VAL HA 5.50 (# 962:25 Unique 3.02, 3.22 A)
&rst
ixpk= 962, nxpk= 25, iat=1261,1236, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 VAL HB 79 VAL HA 3.50 (# 963:25 Unique 2.16, 2.47 A)
&rst
ixpk= 963, nxpk= 25, iat=1504,1236, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 80 SER HN 79 VAL HA 2.80 (# 964:25 Unique 2.16, 2.30 A)
&rst
ixpk= 964, nxpk= 25, iat=1250,1236, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:965 79 VAL HA 5.50 (# 965:25 Single Ambig)
&rst
ixpk= 965, nxpk= 25, iat= -1,1236, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1500,1516,
&end
#
# 11 SER HN 11 SER HB+ 5.50 (# 966:25 Unique 2.51, 3.11 A)
&rst
ixpk= 966, nxpk= 25, iat= 152, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 156, 157,
&end
#
# 11 SER HA 0 AMB 25-1:967 5.50 (# 967:25 Single Ambig)
&rst
ixpk= 967, nxpk= 25, iat= 154, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 156, 157, 156, 157,
&end
#
# 0 AMB 25-2:968 0 AMB 25-1:968 5.50 (# 968:25 Double Ambig)
&rst
ixpk= 968, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 382, 406, 358,
igr2= 368, 369, 368, 369, 368, 369, 368, 369,
&end
#
# 0 AMB 25-2:969 0 AMB 25-1:969 3.50 (# 969:25 Double Ambig)
&rst
ixpk= 969, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 316, 360,
igr2= 368, 369, 368, 369, 368, 369,
&end
#
# 132 ARG HN 0 AMB 25-1:970 5.50 (# 970:25 Single Ambig)
&rst
ixpk= 970, nxpk= 25, iat=2015, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=2025,2026,2025,2026,
&end
#
# 0 AMB 25-2:971 0 AMB 25-1:971 2.80 (# 971:25 Double Ambig)
&rst
ixpk= 971, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 362, 363, 362, 363,
igr2= 368, 369, 368, 369,
&end
#
# 0 AMB 25-2:972 0 AMB 25-1:972 2.80 (# 972:25 Double Ambig)
&rst
ixpk= 972, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=2022,2023,2022,2023, 365, 366,2009,2010,2011,2079,
2080,2079,2080,
igr2=2025,2026,2025,2026, 368, 369, 368, 369,2025,2026,
2025,2026,2025,2026,
&end
#
# 0 AMB 25-2:973 0 AMB 25-1:973 2.80 (# 973:25 Double Ambig)
&rst
ixpk= 973, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
igr1=2019,2020,2022,2023, 365, 366, 365, 366,
igr2=2025,2026,2025,2026,2025,2026, 368, 369, 368, 369,
&end
#
# 34 LEU HN 0 AMB 25-1:975 5.50 (# 975:25 Single Ambig)
&rst
ixpk= 975, nxpk= 25, iat= 513, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 497, 498, 497, 498,
&end
#
# 0 AMB 25-2:976 0 AMB 25-1:976 3.50 (# 976:25 Double Ambig)
&rst
ixpk= 976, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2376,2384, 501, 509,
igr2=2372,2373, 497, 498, 497, 498,
&end
#
# 16 VAL HN 16 VAL HA 4.50 (# 977:25 Unique 2.85, 2.87 A)
&rst
ixpk= 977, nxpk= 25, iat= 226, 228, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 154 PHE HA 154 PHE HB+ 4.50 (# 978:25 Unique 2.32, 2.69 A)
&rst
ixpk= 978, nxpk= 25, iat=2370, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2372,2373,
&end
#
# 16 VAL MGX 16 VAL HA 3.50 (# 979:25 Unique 2.49, 3.18 A)
&rst
ixpk= 979, nxpk= 25, iat= -1, 228, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 232, 233, 234, 236, 237, 238,
&end
#
# 99 LEU MDX 16 VAL HA 3.50 (# 980:25 Unique 2.05, 3.98 A)
&rst
ixpk= 980, nxpk= 25, iat= -1, 228, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1547,1548,1549,1551,1552,1553,
&end
#
# 16 VAL MGY 16 VAL HA 2.80 (# 981:25 Unique 2.49, 3.18 A)
&rst
ixpk= 981, nxpk= 25, iat= -1, 228, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 232, 233, 234, 236, 237, 238,
&end
#
# 0 AMB 25-2:982 16 VAL HA 4.50 (# 982:25 Single Ambig)
&rst
ixpk= 982, nxpk= 25, iat= -1, 228, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 230, 213, 214, 213, 214,
&end
#
# 19 ALA HN 16 VAL HA 5.50 (# 983:25 Unique 3.52, 3.70 A)
&rst
ixpk= 983, nxpk= 25, iat= 269, 228, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 LEU MDY 16 VAL HA 5.50 (# 984:25 Unique 2.05, 3.98 A)
&rst
ixpk= 984, nxpk= 25, iat= -1, 228, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1547,1548,1549,1551,1552,1553,
&end
#
# 102 VAL MGX 16 VAL HA 4.50 (# 985:25 Unique 2.42, 4.69 A)
&rst
ixpk= 985, nxpk= 25, iat= -1, 228, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1582,1583,1584,1586,1587,1588,
&end
#
# 0 AMB 25-2:986 0 AMB 25-1:986 4.50 (# 986:25 Double Ambig)
&rst
ixpk= 986, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1516,1982,
igr2=1518,1519,1923,1924,1923,1924,
&end
#
# 154 PHE HN 154 PHE HB+ 5.50 (# 987:25 Unique 2.37, 2.98 A)
&rst
ixpk= 987, nxpk= 25, iat=2368, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2372,2373,
&end
#
# 19 ALA MB 16 VAL HA 3.50 (# 988:25 Unique 2.60, 3.76 A)
&rst
ixpk= 988, nxpk= 25, iat= -1, 228, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 273, 274, 275,
&end
#
# 0 AMB 25-2:989 16 VAL HA 5.50 (# 989:25 Single Ambig)
&rst
ixpk= 989, nxpk= 25, iat= -1, 228, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 242, 279,
&end
#
# 34 LEU HN 0 AMB 25-1:990 5.50 (# 990:25 Single Ambig)
&rst
ixpk= 990, nxpk= 25, iat= 513, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 497, 498, 497, 498,
&end
#
# 0 AMB 25-2:991 0 AMB 25-1:991 4.50 (# 991:25 Double Ambig)
&rst
ixpk= 991, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 382, 406, 358,1874,
igr2= 392, 393, 392, 393, 392, 393, 392, 393,1923,1924,
&end
#
# 79 VAL MGX 97 GLY HA- 4.50 (# 992:25 Unique 2.05, 5.00 A)
&rst
ixpk= 992, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1240,1241,1242,1244,1245,1246,
igr2=1518,1519,
&end
#
# 125 ARG HA 0 AMB 25-1:994 3.50 (# 994:25 Single Ambig)
&rst
ixpk= 994, nxpk= 25, iat=1915, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1923,1924,1923,1924,
&end
#
# 0 AMB 25-2:995 0 AMB 25-1:995 2.80 (# 995:25 Double Ambig)
&rst
ixpk= 995, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 384,2397,2421,
igr2= 392, 393, 392, 393,2405,2406,2405,2406,2429,2430,
2429,2430,
&end
#
# 0 AMB 25-2:996 0 AMB 25-1:996 2.80 (# 996:25 Double Ambig)
&rst
ixpk= 996, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
igr1=1917,1918,1917,1918,1917,1918,2423,2424,2423,2424,
2399,2400,2399,2400,2300,2301,2300,2301,2300,2301,
1863,1864,
igr2=1923,1924,1923,1924,1923,1924,2429,2430,2429,2430,
2405,2406,2405,2406,2306,2307,2306,2307,2306,2307,
1923,1924,
&end
#
# 0 AMB 25-2:997 0 AMB 25-1:997 2.80 (# 997:25 Double Ambig)
&rst
ixpk= 997, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.34, r4= 8.09,
igr1=2426,2427,2426,2427,2426,2427,2303,2304,2303,2304,
2303,2304,1920,1921,1920,1921,1920,1921,
igr2=2429,2430,2429,2430,2429,2430,2306,2307,2306,2307,
2306,2307,1923,1924,1923,1924,1923,1924,
&end
#
# 23 ILE HA 0 AMB 25-1:998 3.50 (# 998:25 Single Ambig)
&rst
ixpk= 998, nxpk= 25, iat= 331, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 392, 393, 392, 393,
&end
#
# 0 AMB 25-2:999 0 AMB 25-1:999 4.50 (# 999:25 Double Ambig)
&rst
ixpk= 999, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
igr1=2339,2340,2341,2343,2344,2345,2339,2340,2341,2343,
2344,2345,
igr2=2306,2307,2306,2307,2306,2307,
&end
#
# 0 AMB 25-2:1000 0 AMB 25-1:1000 3.50 (# 1000:25 Double Ambig)
&rst
ixpk= 1000, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2298,1939, 360,
igr2=2306,2307,2306,2307,1923,1924,1923,1924, 392, 393,
&end
#
# 55 CYS HB- 130 CYS HB+ 5.50 (# 1001:25 Unique 2.72, 4.29 A)
&rst
ixpk= 1001, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 842, 843,
igr2=1998,1999,
&end
#
# 130 CYS HN 130 CYS HB+ 5.50 (# 1002:25 Unique 2.36, 2.85 A)
&rst
ixpk= 1002, nxpk= 25, iat=1994, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1998,1999,
&end
#
# 130 CYS HA 130 CYS HB+ 5.50 (# 1003:25 Unique 2.35, 2.75 A)
&rst
ixpk= 1003, nxpk= 25, iat=1996, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1998,1999,
&end
#
# 0 AMB 25-2:1004 0 AMB 25-1:1004 5.50 (# 1004:25 Double Ambig)
&rst
ixpk= 1004, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
igr2=1998,1999,1998,1999,
&end
#
# 146 HIS HA 0 AMB 25-1:1005 2.80 (# 1005:25 Single Ambig)
&rst
ixpk= 1005, nxpk= 25, iat=2240, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=2242,2243,2242,2243,
&end
#
# 31 LEU MDX 29 HIS HB+ 5.50 (# 1006:25 Unique 2.25, 6.78 A)
&rst
ixpk= 1006, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 472, 473, 474, 476, 477, 478,
igr2= 438, 439,
&end
#
# 0 AMB 25-2:1007 0 AMB 25-1:1007 5.50 (# 1007:25 Double Ambig)
&rst
ixpk= 1007, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 421, 422,2231,2232,
igr2= 438, 439,2242,2243,2242,2243,
&end
#
# 146 HIS HD2 0 AMB 25-1:1008 5.50 (# 1008:25 Single Ambig)
&rst
ixpk= 1008, nxpk= 25, iat=2251, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=2242,2243,2242,2243,
&end
#
# 40 VAL MGX 58 THR HB 5.50 (# 1009:25 Unique 2.61, 4.92 A)
&rst
ixpk= 1009, nxpk= 25, iat= -1, 888, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 0 AMB 25-2:1010 0 AMB 25-1:1010 5.50 (# 1010:25 Double Ambig)
&rst
ixpk= 1010, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=2255,2238, 451,
igr2=2242,2243,2242,2243,2242,2243, 438, 439,
&end
#
# 29 HIS HA 29 HIS HB+ 3.50 (# 1011:25 Unique 2.28, 2.71 A)
&rst
ixpk= 1011, nxpk= 25, iat= 436, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 438, 439,
&end
#
# 31 LEU MDX 29 HIS HB+ 5.50 (# 1013:25 Unique 2.25, 6.78 A)
&rst
ixpk= 1013, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 472, 473, 474, 476, 477, 478,
igr2= 438, 439,
&end
#
# 29 HIS HN 29 HIS HB+ 5.50 (# 1014:25 Unique 2.23, 3.10 A)
&rst
ixpk= 1014, nxpk= 25, iat= 434, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 438, 439,
&end
#
# 58 THR MG2 58 THR HB 5.50 (# 1015:25 Unique 2.36, 2.65 A)
&rst
ixpk= 1015, nxpk= 25, iat= -1, 888, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 890, 891, 892,
&end
#
# 36 PRO HB- 36 PRO HD+ 5.50 (# 1019:25 Unique 2.72, 3.66 A)
&rst
ixpk= 1019, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 556, 557,
igr2= 550, 551,
&end
#
# 0 AMB 25-2:1021 0 AMB 25-1:1021 3.50 (# 1021:25 Double Ambig)
&rst
ixpk= 1021, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 553, 554, 553, 554,
igr2= 550, 551, 550, 551,
&end
#
# 67 PHE HD 52 TRP HB+ 5.50 (# 1022:25 Unique 2.12, 5.13 A)
&rst
ixpk= 1022, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1036,1044,
igr2= 797, 798,
&end
#
# 60 TRP HA 60 TRP HB- 5.50 (# 1025:25 Unique 2.21, 2.42 A)
&rst
ixpk= 1025, nxpk= 25, iat= 914, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 916, 917,
&end
#
# 135 LEU MDY 48 PHE HB+ 5.50 (# 1026:25 Unique 2.74, 7.07 A)
&rst
ixpk= 1026, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2084,2085,2086,2088,2089,2090,
igr2= 738, 739,
&end
#
# 60 TRP HN 60 TRP HB- 5.50 (# 1027:25 Unique 3.09, 3.54 A)
&rst
ixpk= 1027, nxpk= 25, iat= 912, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 916, 917,
&end
#
# 116 HIS HA 116 HIS HB+ 4.50 (# 1028:25 Unique 2.38, 2.71 A)
&rst
ixpk= 1028, nxpk= 25, iat=1786, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1788,1789,
&end
#
# 116 HIS HA 116 HIS HB- 4.50 (# 1031:25 Unique 2.38, 2.71 A)
&rst
ixpk= 1031, nxpk= 25, iat=1786, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1788,1789,
&end
#
# 95 THR HA 0 AMB 25-1:1032 5.50 (# 1032:25 Single Ambig)
&rst
ixpk= 1032, nxpk= 25, iat=1488, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1289,1290,1289,1290,
&end
#
# 0 AMB 25-2:1033 0 AMB 25-1:1033 3.50 (# 1033:25 Double Ambig)
&rst
ixpk= 1033, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=1492,1493,1494, 999,1000,1001,1003,1004,1005,1240,
1241,1242,1244,1245,1246,
igr2=1289,1290,1289,1290,1032,1033,1225,1226,1225,1226,
&end
#
# 0 AMB 25-2:1034 0 AMB 25-1:1034 5.50 (# 1034:25 Double Ambig)
&rst
ixpk= 1034, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1234,1276,
igr2=1225,1226,1225,1226,1289,1290,1289,1290,
&end
#
# 82 LYS HA 0 AMB 25-1:1035 5.50 (# 1035:25 Single Ambig)
&rst
ixpk= 1035, nxpk= 25, iat=1278, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1289,1290,1289,1290,
&end
#
# 83 ILE HN 0 AMB 25-1:1036 5.50 (# 1036:25 Single Ambig)
&rst
ixpk= 1036, nxpk= 25, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1289,1290,1289,1290,
&end
#
# 0 AMB 25-2:1037 0 AMB 25-1:1037 5.50 (# 1037:25 Double Ambig)
&rst
ixpk= 1037, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1=1188,1212,1641,
igr2=1198,1199,1198,1199,1198,1199,1032,1033,1225,1226,
&end
#
# 38 MET HB- 59 PRO HB+ 4.50 (# 1038:25 Unique 2.47, 5.15 A)
&rst
ixpk= 1038, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 578, 579,
igr2= 905, 906,
&end
#
# 154 PHE HN 154 PHE HB- 5.50 (# 1039:25 Unique 2.37, 2.98 A)
&rst
ixpk= 1039, nxpk= 25, iat=2368, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2372,2373,
&end
#
# 154 PHE HA 154 PHE HB- 4.50 (# 1040:25 Unique 2.32, 2.69 A)
&rst
ixpk= 1040, nxpk= 25, iat=2370, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2372,2373,
&end
#
# 59 PRO HG+ 59 PRO HB+ 5.50 (# 1044:25 Unique 2.37, 2.63 A)
&rst
ixpk= 1044, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 902, 903,
igr2= 905, 906,
&end
#
# 59 PRO HA 59 PRO HB+ 4.50 (# 1045:25 Unique 2.28, 2.66 A)
&rst
ixpk= 1045, nxpk= 25, iat= 908, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 905, 906,
&end
#
# 38 MET HB+ 59 PRO HB+ 5.50 (# 1046:25 Unique 2.47, 5.15 A)
&rst
ixpk= 1046, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 578, 579,
igr2= 905, 906,
&end
#
# 13 LYS HB- 13 LYS HA 4.50 (# 1048:25 Unique 2.34, 2.67 A)
&rst
ixpk= 1048, nxpk= 25, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 181, 182,
&end
#
# 13 LYS HG+ 13 LYS HA 4.50 (# 1049:25 Unique 2.60, 3.20 A)
&rst
ixpk= 1049, nxpk= 25, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 184, 185,
&end
#
# 13 LYS HB+ 13 LYS HA 3.50 (# 1050:25 Unique 2.34, 2.67 A)
&rst
ixpk= 1050, nxpk= 25, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 181, 182,
&end
#
# 0 AMB 25-2:1051 13 LYS HA 5.50 (# 1051:25 Single Ambig)
&rst
ixpk= 1051, nxpk= 25, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 242, 658,
&end
#
# 0 AMB 25-2:1052 13 LYS HA 3.50 (# 1052:25 Single Ambig)
&rst
ixpk= 1052, nxpk= 25, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
igr1= 648, 649, 650, 652, 653, 654, 184, 185, 232, 233,
234, 236, 237, 238,
&end
#
# 13 LYS HN 13 LYS HA 3.50 (# 1053:25 Unique 2.73, 2.79 A)
&rst
ixpk= 1053, nxpk= 25, iat= 177, 179, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:1054 13 LYS HA 5.50 (# 1054:25 Single Ambig)
&rst
ixpk= 1054, nxpk= 25, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 232, 233, 234, 236, 237, 238, 167, 168,
&end
#
# 16 VAL HB 13 LYS HA 5.50 (# 1055:25 Unique 2.30, 3.00 A)
&rst
ixpk= 1055, nxpk= 25, iat= 230, 179, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:1056 0 AMB 25-1:1056 3.50 (# 1056:25 Double Ambig)
&rst
ixpk= 1056, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 232, 233, 234, 236, 237, 238, 962, 963, 964, 966,
967, 968, 962, 963, 964, 966, 967, 968,
igr2= 283, 284,1986,1987,1986,1987,
&end
#
# 20 PHE HN 20 PHE HB+ 5.50 (# 1057:25 Unique 2.22, 2.91 A)
&rst
ixpk= 1057, nxpk= 25, iat= 279, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 283, 284,
&end
#
# 0 AMB 25-2:1058 0 AMB 25-1:1058 5.50 (# 1058:25 Double Ambig)
&rst
ixpk= 1058, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
igr2= 842, 843, 842, 843,
&end
#
# 130 CYS HN 129 ASP HB+ 5.50 (# 1059:25 Unique 2.58, 3.35 A)
&rst
ixpk= 1059, nxpk= 25, iat=1994, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1986,1987,
&end
#
# 20 PHE HD 20 PHE HB+ 5.50 (# 1060:25 Unique 2.33, 3.09 A)
&rst
ixpk= 1060, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 287, 295,
igr2= 283, 284,
&end
#
# 0 AMB 25-2:1061 0 AMB 25-1:1061 4.50 (# 1061:25 Double Ambig)
&rst
ixpk= 1061, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1982,1083,
igr2=1974,1975,1986,1987,1087,1088,
&end
#
# 31 LEU MDX 29 HIS HB- 5.50 (# 1062:25 Unique 2.25, 6.78 A)
&rst
ixpk= 1062, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 472, 473, 474, 476, 477, 478,
igr2= 438, 439,
&end
#
# 0 AMB 25-2:1064 0 AMB 25-1:1064 4.50 (# 1064:25 Double Ambig)
&rst
ixpk= 1064, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1939, 96, 97,
igr2=1986,1987,1087,1088,
&end
#
# 0 AMB 25-2:1065 0 AMB 25-1:1065 5.50 (# 1065:25 Double Ambig)
&rst
ixpk= 1065, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=13.09, r4=13.84,
igr1=1920,1921,1920,1921,1920,1921,2022,2023,1941,1942,
2009,2010,2011,
igr2=1986,1987,1986,1987,1974,1975,1974,1975,1986,1987,
1986,1987,1974,1975,
&end
#
# 29 HIS HA 29 HIS HB- 4.50 (# 1066:25 Unique 2.28, 2.71 A)
&rst
ixpk= 1066, nxpk= 25, iat= 436, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 438, 439,
&end
#
# 0 AMB 25-2:1067 0 AMB 25-1:1067 3.50 (# 1067:25 Double Ambig)
&rst
ixpk= 1067, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1984,1960,
igr2=1986,1987,1974,1975,
&end
#
# 0 AMB 25-2:1068 0 AMB 25-1:1068 5.50 (# 1068:25 Double Ambig)
&rst
ixpk= 1068, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 101,1956,1095,2005,
igr2=1087,1088,1974,1975,1087,1088,1986,1987,1986,1987,
1974,1975,
&end
#
# 0 AMB 25-2:1069 0 AMB 25-1:1069 4.50 (# 1069:25 Double Ambig)
&rst
ixpk= 1069, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1982,1083,
igr2=1974,1975,1986,1987,1087,1088,
&end
#
# 0 AMB 25-2:1070 0 AMB 25-1:1070 4.50 (# 1070:25 Double Ambig)
&rst
ixpk= 1070, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1923,1924,1923,1924,1923,1924,
igr2=1974,1975,1974,1975,1986,1987,1986,1987,
&end
#
# 128 ASP HN 128 ASP HB+ 5.50 (# 1071:25 Unique 2.11, 2.46 A)
&rst
ixpk= 1071, nxpk= 25, iat=1970, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1974,1975,
&end
#
# 20 PHE HN 20 PHE HB- 5.50 (# 1072:25 Unique 2.22, 2.91 A)
&rst
ixpk= 1072, nxpk= 25, iat= 279, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 283, 284,
&end
#
# 0 AMB 25-2:1073 48 PHE HB- 5.50 (# 1073:25 Single Ambig)
&rst
ixpk= 1073, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 742, 750, 788, 789,
igr2= 738, 739,
&end
#
# 48 PHE HA 48 PHE HB- 5.50 (# 1074:25 Unique 2.25, 2.68 A)
&rst
ixpk= 1074, nxpk= 25, iat= 736, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 738, 739,
&end
#
# 0 AMB 25-2:1075 0 AMB 25-1:1075 3.50 (# 1075:25 Double Ambig)
&rst
ixpk= 1075, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1972,1085,
igr2=1974,1975,1087,1088,
&end
#
# 48 PHE HN 48 PHE HB- 5.50 (# 1076:25 Unique 2.02, 3.00 A)
&rst
ixpk= 1076, nxpk= 25, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 738, 739,
&end
#
# 8 PHE HN 0 AMB 25-1:1077 5.50 (# 1077:25 Single Ambig)
&rst
ixpk= 1077, nxpk= 25, iat= 101, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 105, 106,1087,1088,
&end
#
# 20 PHE HN 20 PHE HB- 5.50 (# 1078:25 Unique 2.22, 2.91 A)
&rst
ixpk= 1078, nxpk= 25, iat= 279, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 283, 284,
&end
#
# 52 TRP HE1 8 PHE HB- 5.50 (# 1080:25 Unique 3.36, 5.53 A)
&rst
ixpk= 1080, nxpk= 25, iat= 803, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 105, 106,
&end
#
# 0 AMB 25-2:1081 0 AMB 25-1:1081 4.50 (# 1081:25 Double Ambig)
&rst
ixpk= 1081, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 103, 281,
igr2= 105, 106, 283, 284,1087,1088,
&end
#
# 0 AMB 25-2:1082 0 AMB 25-1:1082 4.50 (# 1082:25 Double Ambig)
&rst
ixpk= 1082, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 170, 171, 342, 343, 344,
igr2= 105, 106, 283, 284,
&end
#
# 141 ASN HD2- 141 ASN HB+ 5.50 (# 1083:25 Unique 2.26, 3.21 A)
&rst
ixpk= 1083, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2177,2178,
igr2=2172,2173,
&end
#
# 141 ASN HA 141 ASN HB+ 3.50 (# 1084:25 Unique 2.24, 2.73 A)
&rst
ixpk= 1084, nxpk= 25, iat=2170, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2172,2173,
&end
#
# 141 ASN HD2+ 141 ASN HB+ 4.50 (# 1085:25 Unique 2.26, 3.21 A)
&rst
ixpk= 1085, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2177,2178,
igr2=2172,2173,
&end
#
# 105 TYR HN 104 GLN HG+ 5.50 (# 1086:25 Unique 3.72, 4.56 A)
&rst
ixpk= 1086, nxpk= 25, iat=1620, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1610,1611,
&end
#
# 98 GLU HA 104 GLN HG+ 5.50 (# 1087:25 Unique 2.53, 3.69 A)
&rst
ixpk= 1087, nxpk= 25, iat=1525, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1610,1611,
&end
#
# 0 AMB 25-2:1088 0 AMB 25-1:1088 5.50 (# 1088:25 Double Ambig)
&rst
ixpk= 1088, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2196,2461,
igr2=2172,2173,2480,2481,
&end
#
# 0 AMB 25-2:1089 0 AMB 25-1:1089 4.50 (# 1089:25 Double Ambig)
&rst
ixpk= 1089, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=2183,2184,2183,2184,
igr2=2172,2173,2172,2173,
&end
#
# 0 AMB 25-2:1090 0 AMB 25-1:1090 3.50 (# 1090:25 Double Ambig)
&rst
ixpk= 1090, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1615,1616,1603,
igr2=1610,1611,1610,1611,
&end
#
# 104 GLN HA 104 GLN HG+ 5.50 (# 1091:25 Unique 2.29, 2.83 A)
&rst
ixpk= 1091, nxpk= 25, iat=1605, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1610,1611,
&end
#
# 104 GLN HE2- 104 GLN HG+ 5.50 (# 1092:25 Unique 2.25, 3.23 A)
&rst
ixpk= 1092, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1615,1616,
igr2=1610,1611,
&end
#
# 0 AMB 25-2:1093 0 AMB 25-1:1093 3.50 (# 1093:25 Double Ambig)
&rst
ixpk= 1093, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 78, 79, 80,1178,1179,1180,1182,1183,1184,1178,
1179,1180,1182,1183,1184,
igr2=1610,1611,1610,1611,1610,1611,
&end
#
# 0 AMB 25-2:1094 0 AMB 25-1:1094 2.80 (# 1094:25 Double Ambig)
&rst
ixpk= 1094, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1607,1608,1607,1608,
igr2=1610,1611,1610,1611,
&end
#
# 56 VAL HN 55 CYS HB- 5.50 (# 1095:25 Unique 2.67, 3.51 A)
&rst
ixpk= 1095, nxpk= 25, iat= 849, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 842, 843,
&end
#
# 57 ILE MG2 41 TYR HB+ 4.50 (# 1096:25 Unique 2.24, 3.55 A)
&rst
ixpk= 1096, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 871, 872, 873,
igr2= 625, 626,
&end
#
# 41 TYR HD 41 TYR HB+ 5.50 (# 1097:25 Unique 2.34, 3.08 A)
&rst
ixpk= 1097, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 629, 638,
igr2= 625, 626,
&end
#
# 55 CYS HN 55 CYS HB- 5.50 (# 1098:25 Unique 2.74, 3.34 A)
&rst
ixpk= 1098, nxpk= 25, iat= 838, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 842, 843,
&end
#
# 0 AMB 25-2:1099 55 CYS HB- 5.50 (# 1099:25 Single Ambig)
&rst
ixpk= 1099, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
igr2= 842, 843,
&end
#
# 71 ASP HA 71 ASP HB- 3.50 (# 1100:25 Unique 2.41, 2.74 A)
&rst
ixpk= 1100, nxpk= 25, iat=1085, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1087,1088,
&end
#
# 141 ASN HA 141 ASN HB- 3.50 (# 1101:25 Unique 2.24, 2.73 A)
&rst
ixpk= 1101, nxpk= 25, iat=2170, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2172,2173,
&end
#
# 35 HIS HN 35 HIS HB- 5.50 (# 1102:25 Unique 2.23, 2.90 A)
&rst
ixpk= 1102, nxpk= 25, iat= 532, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 536, 537,
&end
#
# 141 ASN HD2+ 141 ASN HB- 4.50 (# 1104:25 Unique 2.26, 3.21 A)
&rst
ixpk= 1104, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2177,2178,
igr2=2172,2173,
&end
#
# 141 ASN HD2- 141 ASN HB- 5.50 (# 1105:25 Unique 2.26, 3.21 A)
&rst
ixpk= 1105, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2177,2178,
igr2=2172,2173,
&end
#
# 0 AMB 25-2:1106 141 ASN HB- 4.50 (# 1106:25 Single Ambig)
&rst
ixpk= 1106, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=2183,2184,2183,2184,
igr2=2172,2173,
&end
#
# 0 AMB 25-2:1107 0 AMB 25-1:1107 5.50 (# 1107:25 Double Ambig)
&rst
ixpk= 1107, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=2214,2215,2216,2218,2219,2220,2214,2215,2216,2218,
2219,2220,
igr2=2200,2201,2200,2201,
&end
#
# 0 AMB 25-2:1108 0 AMB 25-1:1108 2.80 (# 1108:25 Double Ambig)
&rst
ixpk= 1108, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 534,2198,
igr2= 536, 537,2200,2201,
&end
#
# 144 VAL HN 143 ASP HB+ 5.50 (# 1109:25 Unique 2.76, 3.96 A)
&rst
ixpk= 1109, nxpk= 25, iat=2208, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2200,2201,
&end
#
# 143 ASP HN 143 ASP HB+ 3.50 (# 1110:25 Unique 2.35, 2.83 A)
&rst
ixpk= 1110, nxpk= 25, iat=2196, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2200,2201,
&end
#
# 128 ASP HN 128 ASP HB- 5.50 (# 1111:25 Unique 2.11, 2.46 A)
&rst
ixpk= 1111, nxpk= 25, iat=1970, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1974,1975,
&end
#
# 128 ASP HA 128 ASP HB- 3.50 (# 1112:25 Unique 2.40, 2.74 A)
&rst
ixpk= 1112, nxpk= 25, iat=1972, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1974,1975,
&end
#
# 51 GLN HE2+ 51 GLN HG+ 5.50 (# 1113:25 Unique 2.23, 3.40 A)
&rst
ixpk= 1113, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 788, 789,
igr2= 783, 784,
&end
#
# 0 AMB 25-2:1114 0 AMB 25-1:1114 5.50 (# 1114:25 Double Ambig)
&rst
ixpk= 1114, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1814, 908,
igr2=1819,1820,1819,1820,
&end
#
# 51 GLN HN 51 GLN HG+ 5.50 (# 1116:25 Unique 2.11, 3.33 A)
&rst
ixpk= 1116, nxpk= 25, iat= 776, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 783, 784,
&end
#
# 118 MET HB- 118 MET HG+ 3.50 (# 1118:25 Unique 2.33, 2.64 A)
&rst
ixpk= 1118, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1816,1817,
igr2=1819,1820,
&end
#
# 119 SER HN 118 MET HG+ 5.50 (# 1119:25 Unique 2.70, 3.85 A)
&rst
ixpk= 1119, nxpk= 25, iat=1829, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1819,1820,
&end
#
# 0 AMB 25-2:1121 0 AMB 25-1:1121 5.50 (# 1121:25 Double Ambig)
&rst
ixpk= 1121, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1= 581, 582,1823,1824,1825,
igr2=1819,1820,1819,1820,
&end
#
# 0 AMB 25-2:1122 36 PRO HD- 3.50 (# 1122:25 Single Ambig)
&rst
ixpk= 1122, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 553, 554, 553, 554,
igr2= 550, 551,
&end
#
# 70 PRO HA 9 GLN HG+ 5.50 (# 1123:25 Unique 3.52, 5.41 A)
&rst
ixpk= 1123, nxpk= 25, iat=1079, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 128, 129,
&end
#
# 59 PRO HD- 59 PRO HG+ 5.50 (# 1124:25 Unique 2.32, 2.61 A)
&rst
ixpk= 1124, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 899, 900,
igr2= 902, 903,
&end
#
# 8 PHE HA 9 GLN HG+ 5.50 (# 1125:25 Unique 3.74, 5.07 A)
&rst
ixpk= 1125, nxpk= 25, iat= 103, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 128, 129,
&end
#
# 9 GLN HE2- 9 GLN HG+ 5.50 (# 1126:25 Unique 2.25, 3.27 A)
&rst
ixpk= 1126, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 133, 134,
igr2= 128, 129,
&end
#
# 0 AMB 25-2:1127 0 AMB 25-1:1127 5.50 (# 1127:25 Double Ambig)
&rst
ixpk= 1127, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 908, 559, 886,
igr2= 902, 903, 902, 903, 902, 903,
&end
#
# 9 GLN HA 9 GLN HG+ 5.50 (# 1128:25 Unique 2.31, 3.27 A)
&rst
ixpk= 1128, nxpk= 25, iat= 123, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 128, 129,
&end
#
# 9 GLN HB- 9 GLN HG+ 2.80 (# 1129:25 Unique 2.33, 2.62 A)
&rst
ixpk= 1129, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 125, 126,
igr2= 128, 129,
&end
#
# 9 GLN HE2+ 9 GLN HG+ 4.50 (# 1130:25 Unique 2.25, 3.27 A)
&rst
ixpk= 1130, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 133, 134,
igr2= 128, 129,
&end
#
# 71 ASP HB- 9 GLN HG+ 5.50 (# 1131:25 Unique 2.44, 5.61 A)
&rst
ixpk= 1131, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1087,1088,
igr2= 128, 129,
&end
#
# 0 AMB 25-2:1132 0 AMB 25-1:1132 2.80 (# 1132:25 Double Ambig)
&rst
ixpk= 1132, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 125, 126,1076,1077,
igr2= 128, 129, 128, 129,
&end
#
# 0 AMB 25-2:1133 0 AMB 25-1:1133 5.50 (# 1133:25 Double Ambig)
&rst
ixpk= 1133, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 358, 329, 269,
igr2= 306, 307, 306, 307, 306, 307,
&end
#
# 71 ASP HB+ 9 GLN HG+ 5.50 (# 1134:25 Unique 2.44, 5.61 A)
&rst
ixpk= 1134, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1087,1088,
igr2= 128, 129,
&end
#
# 9 GLN HN 9 GLN HG+ 4.50 (# 1135:25 Unique 2.31, 3.31 A)
&rst
ixpk= 1135, nxpk= 25, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 128, 129,
&end
#
# 10 THR MG2 9 GLN HG+ 5.50 (# 1136:25 Unique 5.10, 6.99 A)
&rst
ixpk= 1136, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 144, 145, 146,
igr2= 128, 129,
&end
#
# 40 VAL MGX 21 GLU HG+ 5.50 (# 1137:25 Unique 2.42, 5.05 A)
&rst
ixpk= 1137, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 306, 307,
&end
#
# 21 GLU HA 21 GLU HG+ 4.50 (# 1138:25 Unique 2.34, 2.76 A)
&rst
ixpk= 1138, nxpk= 25, iat= 301, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 306, 307,
&end
#
# 0 AMB 25-2:1139 0 AMB 25-1:1139 4.50 (# 1139:25 Double Ambig)
&rst
ixpk= 1139, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 362, 363, 249, 250, 246, 247,
igr2= 306, 307, 306, 307, 306, 307,
&end
#
# 42 VAL MGX 0 AMB 25-1:1141 5.50 (# 1141:25 Single Ambig)
&rst
ixpk= 1141, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 648, 649, 650, 652, 653, 654,
igr2= 190, 191, 190, 191,
&end
#
# 0 AMB 25-2:1143 129 ASP HB- 5.50 (# 1143:25 Single Ambig)
&rst
ixpk= 1143, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=1920,1921,1920,1921,1944,
igr2=1986,1987,
&end
#
# 40 VAL MGY 21 GLU HG+ 4.50 (# 1144:25 Unique 2.42, 5.05 A)
&rst
ixpk= 1144, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 306, 307,
&end
#
# 13 LYS HB- 0 AMB 25-1:1145 5.50 (# 1145:25 Single Ambig)
&rst
ixpk= 1145, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 181, 182,
igr2= 190, 191, 190, 191,
&end
#
# 42 VAL HB 0 AMB 25-1:1146 4.50 (# 1146:25 Single Ambig)
&rst
ixpk= 1146, nxpk= 25, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 190, 191, 190, 191,
&end
#
# 0 AMB 25-2:1147 0 AMB 25-1:1147 5.50 (# 1147:25 Double Ambig)
&rst
ixpk= 1147, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 199, 681,
igr2= 190, 191, 190, 191, 190, 191,
&end
#
# 0 AMB 25-2:1148 0 AMB 25-1:1148 3.50 (# 1148:25 Double Ambig)
&rst
ixpk= 1148, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 184, 185, 184, 185,
igr2= 190, 191, 190, 191,
&end
#
# 0 AMB 25-2:1149 0 AMB 25-1:1149 2.80 (# 1149:25 Double Ambig)
&rst
ixpk= 1149, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 184, 185, 648, 649, 650, 652, 653, 654,
igr2= 190, 191, 190, 191, 190, 191,
&end
#
# 23 ILE MD1 0 AMB 25-1:1150 4.50 (# 1150:25 Single Ambig)
&rst
ixpk= 1150, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 342, 343, 344,
igr2=1561,1562,1561,1562,
&end
#
# 0 AMB 25-2:1151 0 AMB 25-1:1151 2.80 (# 1151:25 Double Ambig)
&rst
ixpk= 1151, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 187, 188, 187, 188, 187, 188,
igr2= 190, 191, 190, 191, 190, 191,
&end
#
# 0 AMB 25-2:1152 0 AMB 25-1:1152 4.50 (# 1152:25 Double Ambig)
&rst
ixpk= 1152, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 299, 348,
igr2= 306, 307, 306, 307,
&end
#
# 44 ASP HN 44 ASP HB+ 3.50 (# 1153:25 Unique 2.47, 3.04 A)
&rst
ixpk= 1153, nxpk= 25, iat= 669, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 673, 674,
&end
#
# 44 ASP HA 44 ASP HB+ 2.80 (# 1154:25 Unique 2.28, 2.61 A)
&rst
ixpk= 1154, nxpk= 25, iat= 671, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 673, 674,
&end
#
# 45 PHE HN 44 ASP HB+ 4.50 (# 1155:25 Unique 2.84, 3.93 A)
&rst
ixpk= 1155, nxpk= 25, iat= 681, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 673, 674,
&end
#
# 0 AMB 25-2:1156 0 AMB 25-1:1156 3.50 (# 1156:25 Double Ambig)
&rst
ixpk= 1156, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1569, 838,
igr2=1561,1562,1561,1562, 673, 674,
&end
#
# 44 ASP HA 0 AMB 25-1:1157 4.50 (# 1157:25 Single Ambig)
&rst
ixpk= 1157, nxpk= 25, iat= 671, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 190, 191, 190, 191,
&end
#
# 0 AMB 25-2:1158 0 AMB 25-1:1158 5.50 (# 1158:25 Double Ambig)
&rst
ixpk= 1158, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.76, r4=11.51,
igr1= 187, 188, 187, 188, 273, 274, 275,
igr2= 673, 674, 673, 674,1561,1562,1561,1562,
&end
#
# 0 AMB 25-2:1159 0 AMB 25-1:1159 2.80 (# 1159:25 Double Ambig)
&rst
ixpk= 1159, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1559, 271,
igr2=1561,1562,1561,1562,1561,1562,
&end
#
# 35 HIS HN 35 HIS HB+ 5.50 (# 1160:25 Unique 2.23, 2.90 A)
&rst
ixpk= 1160, nxpk= 25, iat= 532, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 536, 537,
&end
#
# 100 ASP HN 0 AMB 25-1:1161 2.80 (# 1161:25 Single Ambig)
&rst
ixpk= 1161, nxpk= 25, iat=1557, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1561,1562,1561,1562,
&end
#
# 143 ASP HN 143 ASP HB- 3.50 (# 1162:25 Unique 2.35, 2.83 A)
&rst
ixpk= 1162, nxpk= 25, iat=2196, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2200,2201,
&end
#
# 144 VAL HN 143 ASP HB- 5.50 (# 1163:25 Unique 2.76, 3.96 A)
&rst
ixpk= 1163, nxpk= 25, iat=2208, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2200,2201,
&end
#
# 0 AMB 25-2:1164 0 AMB 25-1:1164 2.80 (# 1164:25 Double Ambig)
&rst
ixpk= 1164, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 534,2198,
igr2= 536, 537,2200,2201,
&end
#
# 0 AMB 25-2:1165 130 CYS HB- 5.50 (# 1165:25 Single Ambig)
&rst
ixpk= 1165, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
igr1=1702,1703,1704,1706,1707,1708,1702,1703,1704,1706,
1707,1708,1723,1724,1725,1946,1947,1948,1950,1951,
1952,1946,1947,1948,1950,1951,1952,
igr2=1998,1999,
&end
#
# 92 MET HN 92 MET HG+ 5.50 (# 1166:25 Unique 2.55, 3.65 A)
&rst
ixpk= 1166, nxpk= 25, iat=1435, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1442,1443,
&end
#
# 130 CYS HN 130 CYS HB- 5.50 (# 1167:25 Unique 2.36, 2.85 A)
&rst
ixpk= 1167, nxpk= 25, iat=1994, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1998,1999,
&end
#
# 55 CYS HB- 130 CYS HB- 5.50 (# 1168:25 Unique 2.72, 4.29 A)
&rst
ixpk= 1168, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 842, 843,
igr2=1998,1999,
&end
#
# 10 THR MG2 9 GLN HG- 5.50 (# 1169:25 Unique 5.10, 6.99 A)
&rst
ixpk= 1169, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 144, 145, 146,
igr2= 128, 129,
&end
#
# 0 AMB 25-2:1170 0 AMB 25-1:1170 5.50 (# 1170:25 Double Ambig)
&rst
ixpk= 1170, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1437,1454,
igr2=1442,1443,1442,1443,
&end
#
# 71 ASP HB- 9 GLN HG- 5.50 (# 1171:25 Unique 2.44, 5.61 A)
&rst
ixpk= 1171, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1087,1088,
igr2= 128, 129,
&end
#
# 9 GLN HA 9 GLN HG- 5.50 (# 1172:25 Unique 2.31, 3.27 A)
&rst
ixpk= 1172, nxpk= 25, iat= 123, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 128, 129,
&end
#
# 9 GLN HB- 9 GLN HG- 2.80 (# 1173:25 Unique 2.33, 2.62 A)
&rst
ixpk= 1173, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 125, 126,
igr2= 128, 129,
&end
#
# 9 GLN HN 9 GLN HG- 4.50 (# 1174:25 Unique 2.31, 3.31 A)
&rst
ixpk= 1174, nxpk= 25, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 128, 129,
&end
#
# 9 GLN HE2- 9 GLN HG- 5.50 (# 1175:25 Unique 2.25, 3.27 A)
&rst
ixpk= 1175, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 133, 134,
igr2= 128, 129,
&end
#
# 0 AMB 25-2:1176 9 GLN HG- 2.80 (# 1176:25 Single Ambig)
&rst
ixpk= 1176, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 125, 126,1076,1077,
igr2= 128, 129,
&end
#
# 9 GLN HE2+ 9 GLN HG- 4.50 (# 1177:25 Unique 2.25, 3.27 A)
&rst
ixpk= 1177, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 133, 134,
igr2= 128, 129,
&end
#
# 89 TYR HD 92 MET HG+ 5.50 (# 1178:25 Unique 3.09, 6.78 A)
&rst
ixpk= 1178, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1401,1410,
igr2=1442,1443,
&end
#
# 70 PRO HA 9 GLN HG- 5.50 (# 1179:25 Unique 3.52, 5.41 A)
&rst
ixpk= 1179, nxpk= 25, iat=1079, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 128, 129,
&end
#
# 0 AMB 25-2:1181 89 TYR HB- 5.50 (# 1181:25 Single Ambig)
&rst
ixpk= 1181, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1403,1408,1355,1356,
igr2=1397,1398,
&end
#
# 134 ILE HA 89 TYR HB- 5.50 (# 1182:25 Unique 2.06, 3.11 A)
&rst
ixpk= 1182, nxpk= 25, iat=2058, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1397,1398,
&end
#
# 0 AMB 25-2:1183 0 AMB 25-1:1183 4.50 (# 1183:25 Double Ambig)
&rst
ixpk= 1183, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2041,2007,
igr2=2046,2047,2046,2047,2046,2047,
&end
#
# 18 ALA HA 21 GLU HB+ 5.50 (# 1184:25 Unique 2.47, 2.80 A)
&rst
ixpk= 1184, nxpk= 25, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 303, 304,
&end
#
# 89 TYR HD 89 TYR HB- 5.50 (# 1185:25 Unique 2.30, 3.09 A)
&rst
ixpk= 1185, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1401,1410,
igr2=1397,1398,
&end
#
# 21 GLU HA 21 GLU HB+ 5.50 (# 1187:25 Unique 2.49, 2.81 A)
&rst
ixpk= 1187, nxpk= 25, iat= 301, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 303, 304,
&end
#
# 21 GLU HN 21 GLU HB+ 5.50 (# 1188:25 Unique 2.12, 2.47 A)
&rst
ixpk= 1188, nxpk= 25, iat= 299, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 303, 304,
&end
#
# 61 MET HA 61 MET HB+ 5.50 (# 1190:25 Unique 2.32, 2.44 A)
&rst
ixpk= 1190, nxpk= 25, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 940, 941,
&end
#
# 0 AMB 25-2:1191 0 AMB 25-1:1191 5.50 (# 1191:25 Double Ambig)
&rst
ixpk= 1191, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 314, 605,
igr2= 303, 304, 303, 304,
&end
#
# 0 AMB 25-2:1192 118 MET HG- 3.50 (# 1192:25 Single Ambig)
&rst
ixpk= 1192, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1814, 908,1756,
igr2=1819,1820,
&end
#
# 0 AMB 25-2:1193 0 AMB 25-1:1193 4.50 (# 1193:25 Double Ambig)
&rst
ixpk= 1193, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1714,1695,
igr2=1719,1720,1719,1720,
&end
#
# 45 PHE HN 44 ASP HB- 5.50 (# 1195:25 Unique 2.84, 3.93 A)
&rst
ixpk= 1195, nxpk= 25, iat= 681, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 673, 674,
&end
#
# 86 GLN HE2- 89 TYR HB- 5.50 (# 1197:25 Unique 6.06, 7.22 A)
&rst
ixpk= 1197, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1355,1356,
igr2=1397,1398,
&end
#
# 0 AMB 25-2:1198 0 AMB 25-1:1198 4.50 (# 1198:25 Double Ambig)
&rst
ixpk= 1198, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
igr1=1723,1724,1725,2062,2063,2064, 585, 586, 587,
igr2=1719,1720,2046,2047,2046,2047,1819,1820,
&end
#
# 0 AMB 25-2:1199 0 AMB 25-1:1199 5.50 (# 1199:25 Double Ambig)
&rst
ixpk= 1199, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.51, r4=12.26,
igr1= 578, 579, 962, 963, 964, 966, 967, 968, 962, 963,
964, 966, 967, 968,
igr2=1819,1820,1719,1720,1719,1720,
&end
#
# 0 AMB 25-2:1200 92 MET HG- 4.50 (# 1200:25 Single Ambig)
&rst
ixpk= 1200, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1437,1454,
igr2=1442,1443,
&end
#
# 44 ASP HA 44 ASP HB- 3.50 (# 1201:25 Unique 2.28, 2.61 A)
&rst
ixpk= 1201, nxpk= 25, iat= 671, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 673, 674,
&end
#
# 0 AMB 25-2:1202 0 AMB 25-1:1202 5.50 (# 1202:25 Double Ambig)
&rst
ixpk= 1202, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 299, 348,
igr2= 321, 322, 321, 322,
&end
#
# 44 ASP HN 44 ASP HB- 4.50 (# 1203:25 Unique 2.47, 3.04 A)
&rst
ixpk= 1203, nxpk= 25, iat= 669, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 673, 674,
&end
#
# 0 AMB 25-2:1204 0 AMB 25-1:1204 5.50 (# 1204:25 Double Ambig)
&rst
ixpk= 1204, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 392, 393, 392, 393,
igr2= 321, 322, 321, 322,
&end
#
# 23 ILE HA 22 GLU HG+ 5.50 (# 1205:25 Unique 3.21, 4.93 A)
&rst
ixpk= 1205, nxpk= 25, iat= 331, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 321, 322,
&end
#
# 23 ILE HN 22 GLU HG+ 3.50 (# 1206:25 Unique 2.53, 3.59 A)
&rst
ixpk= 1206, nxpk= 25, iat= 329, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 321, 322,
&end
#
# 65 VAL HN 65 VAL HB 5.50 (# 1207:25 Unique 2.54, 3.68 A)
&rst
ixpk= 1207, nxpk= 25, iat= 993, 997, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:1208 0 AMB 25-1:1208 3.50 (# 1208:25 Double Ambig)
&rst
ixpk= 1208, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 271, 316,
igr2= 321, 322, 321, 322,
&end
#
# 119 SER HN 118 MET HG- 5.50 (# 1209:25 Unique 2.70, 3.85 A)
&rst
ixpk= 1209, nxpk= 25, iat=1829, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1819,1820,
&end
#
# 66 ILE HN 65 VAL HB 4.50 (# 1211:25 Unique 2.50, 3.01 A)
&rst
ixpk= 1211, nxpk= 25, iat=1009, 997, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:1212 65 VAL HB 2.80 (# 1212:25 Single Ambig)
&rst
ixpk= 1212, nxpk= 25, iat= -1, 997, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 999,1000,1001,1003,1004,1005, 232, 233, 234, 236,
237, 238,
&end
#
# 0 AMB 25-2:1213 0 AMB 25-1:1213 5.50 (# 1213:25 Double Ambig)
&rst
ixpk= 1213, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.58, r4=10.33,
igr1= 957, 958, 581, 582,1823,1824,1825,
igr2=1719,1720,1819,1820,
&end
#
# 65 VAL MGY 65 VAL HB 3.50 (# 1214:25 Unique 2.37, 2.65 A)
&rst
ixpk= 1214, nxpk= 25, iat= -1, 997, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 999,1000,1001,1003,1004,1005,
&end
#
# 65 VAL HA 65 VAL HB 4.50 (# 1215:25 Unique 2.28, 2.52 A)
&rst
ixpk= 1215, nxpk= 25, iat= 995, 997, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 112 SER HN 111 MET HG- 5.50 (# 1216:25 Unique 2.65, 4.13 A)
&rst
ixpk= 1216, nxpk= 25, iat=1729, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1719,1720,
&end
#
# 111 MET HN 111 MET HG- 5.50 (# 1217:25 Unique 2.44, 3.83 A)
&rst
ixpk= 1217, nxpk= 25, iat=1712, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1719,1720,
&end
#
# 0 AMB 25-2:1218 0 AMB 25-1:1218 5.50 (# 1218:25 Double Ambig)
&rst
ixpk= 1218, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.76, r4=11.51,
igr1= 578, 579, 962, 963, 964, 966, 967, 968, 962, 963,
964, 966, 967, 968,
igr2=1819,1820,1719,1720,
&end
#
# 0 AMB 25-2:1219 0 AMB 25-1:1219 5.50 (# 1219:25 Double Ambig)
&rst
ixpk= 1219, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1723,1724,1725, 585, 586, 587,
igr2=1719,1720,1819,1820,
&end
#
# 0 AMB 25-2:1220 0 AMB 25-1:1220 5.50 (# 1220:25 Double Ambig)
&rst
ixpk= 1220, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1641,1009,
igr2=1624,1625,1624,1625,
&end
#
# 104 GLN HA 104 GLN HG- 5.50 (# 1221:25 Unique 2.29, 2.83 A)
&rst
ixpk= 1221, nxpk= 25, iat=1605, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1610,1611,
&end
#
# 0 AMB 25-2:1222 0 AMB 25-1:1222 4.50 (# 1222:25 Double Ambig)
&rst
ixpk= 1222, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1276,1234,
igr2=1268,1269,1268,1269,
&end
#
# 96 VAL MGY 81 GLU HG+ 4.50 (# 1223:25 Unique 2.24, 6.13 A)
&rst
ixpk= 1223, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1506,1507,1508,1510,1511,1512,
igr2=1268,1269,
&end
#
# 78 LYS HG+ 81 GLU HG+ 4.50 (# 1224:25 Unique 3.11, 4.47 A)
&rst
ixpk= 1224, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1219,1220,
igr2=1268,1269,
&end
#
# 81 GLU HB- 81 GLU HG+ 3.50 (# 1225:25 Unique 2.35, 2.61 A)
&rst
ixpk= 1225, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1265,1266,
igr2=1268,1269,
&end
#
# 83 ILE MD1 81 GLU HG+ 5.50 (# 1226:25 Unique 2.94, 6.60 A)
&rst
ixpk= 1226, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1311,1312,1313,
igr2=1268,1269,
&end
#
# 0 AMB 25-2:1227 0 AMB 25-1:1227 3.50 (# 1227:25 Double Ambig)
&rst
ixpk= 1227, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1216,1217,1216,1217,
igr2=1268,1269,1268,1269,
&end
#
# 81 GLU HA 81 GLU HG+ 3.50 (# 1228:25 Unique 2.82, 3.51 A)
&rst
ixpk= 1228, nxpk= 25, iat=1263, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1268,1269,
&end
#
# 81 GLU HN 81 GLU HG+ 3.50 (# 1229:25 Unique 2.00, 3.27 A)
&rst
ixpk= 1229, nxpk= 25, iat=1261, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1268,1269,
&end
#
# 77 ARG HA 81 GLU HG+ 5.50 (# 1230:25 Unique 4.32, 6.15 A)
&rst
ixpk= 1230, nxpk= 25, iat=1190, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1268,1269,
&end
#
# 0 AMB 25-2:1231 104 GLN HG- 4.50 (# 1231:25 Single Ambig)
&rst
ixpk= 1231, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1615,1616,1603,
igr2=1610,1611,
&end
#
# 70 PRO HB- 0 AMB 25-1:1233 3.50 (# 1233:25 Single Ambig)
&rst
ixpk= 1233, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1076,1077,
igr2=1073,1074,1073,1074,
&end
#
# 78 LYS HA 81 GLU HG+ 5.50 (# 1234:25 Unique 4.71, 5.13 A)
&rst
ixpk= 1234, nxpk= 25, iat=1214, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1268,1269,
&end
#
# 98 GLU HA 104 GLN HG- 5.50 (# 1235:25 Unique 2.53, 3.69 A)
&rst
ixpk= 1235, nxpk= 25, iat=1525, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1610,1611,
&end
#
# 0 AMB 25-2:1236 104 GLN HG- 4.50 (# 1236:25 Single Ambig)
&rst
ixpk= 1236, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 78, 79, 80,1178,1179,1180,1182,1183,1184,1178,
1179,1180,1182,1183,1184,
igr2=1610,1611,
&end
#
# 96 VAL MGX 104 GLN HG- 5.50 (# 1237:25 Unique 2.95, 6.18 A)
&rst
ixpk= 1237, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1506,1507,1508,1510,1511,1512,
igr2=1610,1611,
&end
#
# 0 AMB 25-2:1238 0 AMB 25-1:1238 5.50 (# 1238:25 Double Ambig)
&rst
ixpk= 1238, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1070,1071,1070,1071,
igr2=1073,1074,1073,1074,
&end
#
# 104 GLN HE2- 104 GLN HG- 5.50 (# 1239:25 Unique 2.25, 3.23 A)
&rst
ixpk= 1239, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1615,1616,
igr2=1610,1611,
&end
#
# 78 LYS HN 81 GLU HG+ 4.50 (# 1240:25 Unique 2.84, 4.03 A)
&rst
ixpk= 1240, nxpk= 25, iat=1212, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1268,1269,
&end
#
# 105 TYR HN 104 GLN HG- 5.50 (# 1241:25 Unique 3.72, 4.56 A)
&rst
ixpk= 1241, nxpk= 25, iat=1620, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1610,1611,
&end
#
# 10 THR MG2 9 GLN HB+ 5.50 (# 1242:25 Unique 2.82, 4.78 A)
&rst
ixpk= 1242, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 144, 145, 146,
igr2= 125, 126,
&end
#
# 10 THR HN 9 GLN HB+ 5.50 (# 1243:25 Unique 2.51, 3.55 A)
&rst
ixpk= 1243, nxpk= 25, iat= 138, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 125, 126,
&end
#
# 9 GLN HN 9 GLN HB+ 5.50 (# 1244:25 Unique 2.21, 3.00 A)
&rst
ixpk= 1244, nxpk= 25, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 125, 126,
&end
#
# 12 PRO HG+ 15 GLN HG+ 5.50 (# 1245:25 Unique 6.08, 7.05 A)
&rst
ixpk= 1245, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 167, 168,
igr2= 216, 217,
&end
#
# 9 GLN HA 9 GLN HB+ 5.50 (# 1246:25 Unique 2.42, 2.79 A)
&rst
ixpk= 1246, nxpk= 25, iat= 123, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 125, 126,
&end
#
# 0 AMB 25-2:1247 0 AMB 25-1:1247 4.50 (# 1247:25 Double Ambig)
&rst
ixpk= 1247, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1756,1731,
igr2=1747,1748,1747,1748,
&end
#
# 72 GLN HA 72 GLN HG+ 4.50 (# 1248:25 Unique 2.37, 2.79 A)
&rst
ixpk= 1248, nxpk= 25, iat=1097, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1102,1103,
&end
#
# 0 AMB 25-2:1249 0 AMB 25-1:1249 4.50 (# 1249:25 Double Ambig)
&rst
ixpk= 1249, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
igr1=1582,1583,1584,1586,1587,1588, 170, 171,
igr2= 216, 217, 216, 217,
&end
#
# 14 ALA MB 15 GLN HG+ 5.50 (# 1250:25 Unique 2.96, 4.85 A)
&rst
ixpk= 1250, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 203, 204, 205,
igr2= 216, 217,
&end
#
# 72 GLN HN 72 GLN HG+ 5.50 (# 1251:25 Unique 2.68, 3.39 A)
&rst
ixpk= 1251, nxpk= 25, iat=1095, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1102,1103,
&end
#
# 15 GLN HE2+ 15 GLN HG+ 3.50 (# 1252:25 Unique 2.23, 3.44 A)
&rst
ixpk= 1252, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 221, 222,
igr2= 216, 217,
&end
#
# 102 VAL MGX 15 GLN HG+ 4.50 (# 1253:25 Unique 3.13, 5.84 A)
&rst
ixpk= 1253, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1582,1583,1584,1586,1587,1588,
igr2= 216, 217,
&end
#
# 73 LEU HN 72 GLN HG+ 5.50 (# 1254:25 Unique 3.63, 4.48 A)
&rst
ixpk= 1254, nxpk= 25, iat=1112, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1102,1103,
&end
#
# 0 AMB 25-2:1255 0 AMB 25-1:1255 2.80 (# 1255:25 Double Ambig)
&rst
ixpk= 1255, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1= 213, 214, 213, 214,1744,1745, 957, 958,
igr2= 216, 217, 216, 217,1747,1748,1747,1748,
&end
#
# 0 AMB 25-2:1256 0 AMB 25-1:1256 3.50 (# 1256:25 Double Ambig)
&rst
ixpk= 1256, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 211,1777,1778,
igr2= 216, 217,1747,1748,
&end
#
# 15 GLN HE2- 15 GLN HG+ 5.50 (# 1257:25 Unique 2.23, 3.44 A)
&rst
ixpk= 1257, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 221, 222,
igr2= 216, 217,
&end
#
# 15 GLN HN 15 GLN HG+ 3.50 (# 1258:25 Unique 2.46, 3.23 A)
&rst
ixpk= 1258, nxpk= 25, iat= 209, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 216, 217,
&end
#
# 59 PRO HD- 59 PRO HG- 5.50 (# 1259:25 Unique 2.32, 2.61 A)
&rst
ixpk= 1259, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 899, 900,
igr2= 902, 903,
&end
#
# 0 AMB 25-2:1260 22 GLU HG- 5.50 (# 1260:25 Single Ambig)
&rst
ixpk= 1260, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 392, 393, 392, 393,
igr2= 321, 322,
&end
#
# 0 AMB 25-2:1261 22 GLU HG- 3.50 (# 1261:25 Single Ambig)
&rst
ixpk= 1261, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 271, 316,
igr2= 321, 322,
&end
#
# 0 AMB 25-2:1262 22 GLU HG- 3.50 (# 1262:25 Single Ambig)
&rst
ixpk= 1262, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 314, 329,
igr2= 321, 322,
&end
#
# 0 AMB 25-2:1263 59 PRO HG- 5.50 (# 1263:25 Single Ambig)
&rst
ixpk= 1263, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 908, 559, 886,
igr2= 902, 903,
&end
#
# 0 AMB 25-2:1264 0 AMB 25-1:1264 3.50 (# 1264:25 Double Ambig)
&rst
ixpk= 1264, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1= 611, 612, 613, 615, 616, 617,1308,1309,
igr2= 306, 307,1268,1269,
&end
#
# 86 GLN HE2+ 86 GLN HG+ 5.50 (# 1265:25 Unique 2.24, 3.36 A)
&rst
ixpk= 1265, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1355,1356,
igr2=1350,1351,
&end
#
# 86 GLN HA 86 GLN HG+ 3.50 (# 1266:25 Unique 2.54, 3.18 A)
&rst
ixpk= 1266, nxpk= 25, iat=1345, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1350,1351,
&end
#
# 0 AMB 25-2:1267 0 AMB 25-1:1267 4.50 (# 1267:25 Double Ambig)
&rst
ixpk= 1267, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1360, 94,
igr2=1350,1351,1102,1103,
&end
#
# 28 MET HA 28 MET HB+ 3.50 (# 1268:25 Unique 2.34, 2.70 A)
&rst
ixpk= 1268, nxpk= 25, iat= 419, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 421, 422,
&end
#
# 0 AMB 25-2:1269 0 AMB 25-1:1269 3.50 (# 1269:25 Double Ambig)
&rst
ixpk= 1269, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1506,1507,1508,1510,1511,1512, 611, 612, 613, 615,
616, 617,
igr2=1268,1269, 306, 307,
&end
#
# 0 AMB 25-2:1270 0 AMB 25-1:1270 5.50 (# 1270:25 Double Ambig)
&rst
ixpk= 1270, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1435,1324,
igr2=1350,1351,1350,1351,
&end
#
# 91 THR MG2 86 GLN HG+ 5.50 (# 1271:25 Unique 2.69, 4.54 A)
&rst
ixpk= 1271, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1427,1428,1429,
igr2=1350,1351,
&end
#
# 86 GLN HN 86 GLN HG+ 4.50 (# 1272:25 Unique 4.27, 4.68 A)
&rst
ixpk= 1272, nxpk= 25, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1350,1351,
&end
#
# 78 LYS HG+ 81 GLU HG- 4.50 (# 1273:25 Unique 3.11, 4.47 A)
&rst
ixpk= 1273, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1219,1220,
igr2=1268,1269,
&end
#
# 0 AMB 25-2:1274 81 GLU HG- 4.50 (# 1274:25 Single Ambig)
&rst
ixpk= 1274, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1276,1234,
igr2=1268,1269,
&end
#
# 0 AMB 25-2:1275 0 AMB 25-1:1275 3.50 (# 1275:25 Double Ambig)
&rst
ixpk= 1275, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1263, 261, 316,
igr2=1268,1269, 306, 307,
&end
#
# 81 GLU HN 81 GLU HG- 3.50 (# 1276:25 Unique 2.00, 3.27 A)
&rst
ixpk= 1276, nxpk= 25, iat=1261, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1268,1269,
&end
#
# 0 AMB 25-2:1277 81 GLU HG- 3.50 (# 1277:25 Single Ambig)
&rst
ixpk= 1277, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1216,1217,1216,1217,
igr2=1268,1269,
&end
#
# 122 GLU HN 122 GLU HG+ 3.50 (# 1278:25 Unique 2.25, 3.06 A)
&rst
ixpk= 1278, nxpk= 25, iat=1874, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1881,1882,
&end
#
# 21 GLU HA 21 GLU HG- 3.50 (# 1279:25 Unique 2.34, 2.76 A)
&rst
ixpk= 1279, nxpk= 25, iat= 301, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 306, 307,
&end
#
# 120 ILE MD1 121 GLU HG+ 3.50 (# 1280:25 Unique 3.03, 5.28 A)
&rst
ixpk= 1280, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1853,1854,1855,
igr2=1866,1867,
&end
#
# 0 AMB 25-2:1281 0 AMB 25-1:1281 2.80 (# 1281:25 Double Ambig)
&rst
ixpk= 1281, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.18, r4= 5.93,
igr1=1833,1834, 37,1833,1834,
igr2=1881,1882, 42, 43, 42, 43,1866,1867,
&end
#
# 4 GLU HN 0 AMB 25-1:1282 4.50 (# 1282:25 Single Ambig)
&rst
ixpk= 1282, nxpk= 25, iat= 50, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 42, 43, 42, 43,
&end
#
# 0 AMB 25-2:1283 0 AMB 25-1:1283 3.50 (# 1283:25 Double Ambig)
&rst
ixpk= 1283, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1859, 35,
igr2=1866,1867, 42, 43, 42, 43,
&end
#
# 0 AMB 25-2:1284 0 AMB 25-1:1284 4.50 (# 1284:25 Double Ambig)
&rst
ixpk= 1284, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1889,1937,
igr2=1881,1882,1866,1867,1881,1882,
&end
#
# 121 GLU HA 121 GLU HG+ 3.50 (# 1285:25 Unique 2.35, 2.90 A)
&rst
ixpk= 1285, nxpk= 25, iat=1861, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1866,1867,
&end
#
# 119 SER HN 122 GLU HG+ 5.50 (# 1286:25 Unique 3.00, 3.80 A)
&rst
ixpk= 1286, nxpk= 25, iat=1829, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1881,1882,
&end
#
# 105 TYR HN 0 AMB 25-1:1287 5.50 (# 1287:25 Single Ambig)
&rst
ixpk= 1287, nxpk= 25, iat=1620, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1607,1608,1607,1608,
&end
#
# 0 AMB 25-2:1288 0 AMB 25-1:1288 4.50 (# 1288:25 Double Ambig)
&rst
ixpk= 1288, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 201, 567, 568,
igr2= 249, 250, 556, 557,
&end
#
# 0 AMB 25-2:1289 0 AMB 25-1:1289 3.50 (# 1289:25 Double Ambig)
&rst
ixpk= 1289, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 902, 903, 550, 551,
igr2= 556, 557, 556, 557,
&end
#
# 18 ALA HN 17 GLN HG+ 5.50 (# 1290:25 Unique 3.55, 4.22 A)
&rst
ixpk= 1290, nxpk= 25, iat= 259, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 249, 250,
&end
#
# 17 GLN HE2+ 17 GLN HG+ 3.50 (# 1291:25 Unique 2.23, 3.17 A)
&rst
ixpk= 1291, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 254, 255,
igr2= 249, 250,
&end
#
# 17 GLN HA 17 GLN HG+ 3.50 (# 1292:25 Unique 2.33, 2.71 A)
&rst
ixpk= 1292, nxpk= 25, iat= 244, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 249, 250,
&end
#
# 17 GLN HE2- 17 GLN HG+ 5.50 (# 1293:25 Unique 2.23, 3.17 A)
&rst
ixpk= 1293, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 254, 255,
igr2= 249, 250,
&end
#
# 17 GLN HN 17 GLN HG+ 4.50 (# 1294:25 Unique 4.30, 4.44 A)
&rst
ixpk= 1294, nxpk= 25, iat= 242, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 249, 250,
&end
#
# 96 VAL MGX 0 AMB 25-1:1295 5.50 (# 1295:25 Single Ambig)
&rst
ixpk= 1295, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1506,1507,1508,1510,1511,1512,
igr2=1607,1608,1607,1608,
&end
#
# 75 PRO HA 75 PRO HB+ 3.50 (# 1296:25 Unique 2.30, 2.60 A)
&rst
ixpk= 1296, nxpk= 25, iat=1165, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1162,1163,
&end
#
# 42 VAL MGX 17 GLN HG+ 3.50 (# 1297:25 Unique 2.68, 6.08 A)
&rst
ixpk= 1297, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 648, 649, 650, 652, 653, 654,
igr2= 249, 250,
&end
#
# 40 VAL MGY 17 GLN HG+ 3.50 (# 1298:25 Unique 2.24, 5.00 A)
&rst
ixpk= 1298, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 249, 250,
&end
#
# 106 LEU MDY 96 VAL HB 5.50 (# 1299:25 Unique 4.66, 6.56 A)
&rst
ixpk= 1299, nxpk= 25, iat= -1,1504, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1650,1651,1652,1654,1655,1656,
&end
#
# 0 AMB 25-2:1300 0 AMB 25-1:1300 4.50 (# 1300:25 Double Ambig)
&rst
ixpk= 1300, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1236,1156,1157,
igr2=1504,1162,1163,
&end
#
# 0 AMB 25-2:1301 0 AMB 25-1:1301 3.50 (# 1301:25 Double Ambig)
&rst
ixpk= 1301, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2463,1814,
igr2=2468,2469,2468,2469,1881,1882,
&end
#
# 96 VAL HN 96 VAL HB 3.50 (# 1302:25 Unique 2.40, 2.47 A)
&rst
ixpk= 1302, nxpk= 25, iat=1500,1504, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 80 SER HN 96 VAL HB 4.50 (# 1303:25 Unique 2.81, 3.07 A)
&rst
ixpk= 1303, nxpk= 25, iat=1250,1504, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:1304 0 AMB 25-1:1304 2.80 (# 1304:25 Double Ambig)
&rst
ixpk= 1304, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 611, 612, 613, 615, 616, 617,1506,1507,1508,1510,
1511,1512,
igr2= 609,1504,
&end
#
# 0 AMB 25-2:1305 96 VAL HB 5.50 (# 1305:25 Single Ambig)
&rst
ixpk= 1305, nxpk= 25, iat= -1,1504, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1240,1241,1242,1244,1245,1246,1492,1493,1494,
&end
#
# 104 GLN HA 0 AMB 25-1:1306 5.50 (# 1306:25 Single Ambig)
&rst
ixpk= 1306, nxpk= 25, iat=1605, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1607,1608,1607,1608,
&end
#
# 0 AMB 25-2:1307 0 AMB 25-1:1307 3.50 (# 1307:25 Double Ambig)
&rst
ixpk= 1307, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1= 78, 79, 80,1178,1179,1180,1182,1183,1184,
igr2=1607,1608,1607,1608,1607,1608,
&end
#
# 0 AMB 25-2:1308 0 AMB 25-1:1308 3.50 (# 1308:25 Double Ambig)
&rst
ixpk= 1308, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1603,1615,1616,1615,1616, 138,
igr2=1607,1608,1607,1608,1607,1608, 125, 126,
&end
#
# 20 PHE HA 0 AMB 25-1:1309 5.50 (# 1309:25 Single Ambig)
&rst
ixpk= 1309, nxpk= 25, iat= 281, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 318, 319, 318, 319,
&end
#
# 9 GLN HN 9 GLN HB- 5.50 (# 1310:25 Unique 2.21, 3.00 A)
&rst
ixpk= 1310, nxpk= 25, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 125, 126,
&end
#
# 0 AMB 25-2:1311 0 AMB 25-1:1311 2.80 (# 1311:25 Double Ambig)
&rst
ixpk= 1311, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.03, r4= 6.78,
igr1=2225,2226,2183,2184,2183,2184,1156,1157,2098,2099,
igr2=2231,2232,2189,2190,2189,2190,1162,1163,2131,2132,
&end
#
# 105 TYR HN 0 AMB 25-1:1312 5.50 (# 1312:25 Single Ambig)
&rst
ixpk= 1312, nxpk= 25, iat=1620, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1607,1608,1607,1608,
&end
#
# 9 GLN HA 9 GLN HB- 4.50 (# 1313:25 Unique 2.42, 2.79 A)
&rst
ixpk= 1313, nxpk= 25, iat= 123, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 125, 126,
&end
#
# 0 AMB 25-2:1314 0 AMB 25-1:1314 2.80 (# 1314:25 Double Ambig)
&rst
ixpk= 1314, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1=2192,2234, 886,
igr2=2189,2190,2231,2232, 609,
&end
#
# 119 SER HN 122 GLU HG- 5.50 (# 1315:25 Unique 3.00, 3.80 A)
&rst
ixpk= 1315, nxpk= 25, iat=1829, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1881,1882,
&end
#
# 0 AMB 25-2:1317 0 AMB 25-1:1317 2.80 (# 1317:25 Double Ambig)
&rst
ixpk= 1317, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 316, 271,
igr2= 318, 319, 318, 319, 318, 319,
&end
#
# 82 LYS HN 81 GLU HB+ 4.50 (# 1318:25 Unique 2.56, 3.23 A)
&rst
ixpk= 1318, nxpk= 25, iat=1276, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1265,1266,
&end
#
# 78 LYS HN 81 GLU HB+ 5.50 (# 1319:25 Unique 3.51, 4.75 A)
&rst
ixpk= 1319, nxpk= 25, iat=1212, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1265,1266,
&end
#
# 87 LEU HN 86 GLN HG- 4.50 (# 1320:25 Unique 3.86, 4.56 A)
&rst
ixpk= 1320, nxpk= 25, iat=1360, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1350,1351,
&end
#
# 19 ALA MB 0 AMB 25-1:1321 5.50 (# 1321:25 Single Ambig)
&rst
ixpk= 1321, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 273, 274, 275,
igr2= 318, 319, 318, 319,
&end
#
# 23 ILE HA 0 AMB 25-1:1322 5.50 (# 1322:25 Single Ambig)
&rst
ixpk= 1322, nxpk= 25, iat= 331, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 318, 319, 318, 319,
&end
#
# 0 AMB 25-2:1323 0 AMB 25-1:1323 2.80 (# 1323:25 Double Ambig)
&rst
ixpk= 1323, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 314, 329,
igr2= 318, 319, 318, 319, 318, 319,
&end
#
# 0 AMB 25-2:1324 0 AMB 25-1:1324 5.50 (# 1324:25 Double Ambig)
&rst
ixpk= 1324, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.00, r4=11.75,
igr1=1192,1193,1219,1220,1283,1284,1280,1281,
igr2=1265,1266,1265,1266,1265,1266,1265,1266,
&end
#
# 0 AMB 25-2:1325 0 AMB 25-1:1325 3.50 (# 1325:25 Double Ambig)
&rst
ixpk= 1325, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1263,2257,
igr2=1265,1266,2276,2277,
&end
#
# 81 GLU HN 81 GLU HB+ 3.50 (# 1326:25 Unique 2.27, 3.06 A)
&rst
ixpk= 1326, nxpk= 25, iat=1261, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1265,1266,
&end
#
# 86 GLN HA 86 GLN HG- 3.50 (# 1327:25 Unique 2.54, 3.18 A)
&rst
ixpk= 1327, nxpk= 25, iat=1345, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1350,1351,
&end
#
# 0 AMB 25-2:1328 86 GLN HG- 5.50 (# 1328:25 Single Ambig)
&rst
ixpk= 1328, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1435,1324,
igr2=1350,1351,
&end
#
# 0 AMB 25-2:1329 0 AMB 25-1:1329 4.50 (# 1329:25 Double Ambig)
&rst
ixpk= 1329, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=2196, 574,
igr2=2189,2190, 598, 599,
&end
#
# 0 AMB 25-2:1330 86 GLN HG- 5.50 (# 1330:25 Single Ambig)
&rst
ixpk= 1330, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1416,1417,1389,
igr2=1350,1351,
&end
#
# 0 AMB 25-2:1331 0 AMB 25-1:1331 4.50 (# 1331:25 Double Ambig)
&rst
ixpk= 1331, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1844,1941,1942,1920,1921,
igr2=1866,1867,1881,1882,
&end
#
# 86 GLN HN 86 GLN HG- 4.50 (# 1332:25 Unique 4.27, 4.68 A)
&rst
ixpk= 1332, nxpk= 25, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1350,1351,
&end
#
# 0 AMB 25-2:1333 0 AMB 25-1:1333 4.50 (# 1333:25 Double Ambig)
&rst
ixpk= 1333, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
igr1= 75, 76, 75, 76, 144, 145, 146,
igr2=1607,1608,1607,1608, 125, 126,
&end
#
# 86 GLN HE2+ 86 GLN HG- 5.50 (# 1334:25 Unique 2.24, 3.36 A)
&rst
ixpk= 1334, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1355,1356,
igr2=1350,1351,
&end
#
# 23 ILE HG1+ 23 ILE HB 4.50 (# 1335:25 Unique 2.62, 2.84 A)
&rst
ixpk= 1335, nxpk= 25, iat= -1, 333, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 339, 340,
&end
#
# 0 AMB 25-2:1336 0 AMB 25-1:1336 5.50 (# 1336:25 Double Ambig)
&rst
ixpk= 1336, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 299, 348,
igr2= 318, 319, 318, 319, 318, 319,
&end
#
# 121 GLU HN 121 GLU HG- 3.50 (# 1337:25 Unique 2.04, 2.89 A)
&rst
ixpk= 1337, nxpk= 25, iat=1859, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1866,1867,
&end
#
# 120 ILE MD1 121 GLU HG- 4.50 (# 1338:25 Unique 3.03, 5.28 A)
&rst
ixpk= 1338, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1853,1854,1855,
igr2=1866,1867,
&end
#
# 122 GLU HN 122 GLU HG- 3.50 (# 1339:25 Unique 2.25, 3.06 A)
&rst
ixpk= 1339, nxpk= 25, iat=1874, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1881,1882,
&end
#
# 121 GLU HA 121 GLU HG- 3.50 (# 1340:25 Unique 2.35, 2.90 A)
&rst
ixpk= 1340, nxpk= 25, iat=1861, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1866,1867,
&end
#
# 0 AMB 25-2:1341 0 AMB 25-1:1341 5.50 (# 1341:25 Double Ambig)
&rst
ixpk= 1341, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1889,1937,
igr2=1881,1882,1866,1867,
&end
#
# 23 ILE HN 23 ILE HB 3.50 (# 1342:25 Unique 2.31, 2.38 A)
&rst
ixpk= 1342, nxpk= 25, iat= 329, 333, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:1343 0 AMB 25-1:1343 5.50 (# 1343:25 Double Ambig)
&rst
ixpk= 1343, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.88, r4=11.63,
igr1=1846,1847,1848,1946,1947,1948,1950,1951,1952,1946,
1947,1948,1950,1951,1952,
igr2=1866,1867,1881,1882,
&end
#
# 24 ALA HN 23 ILE HB 4.50 (# 1344:25 Unique 2.74, 2.86 A)
&rst
ixpk= 1344, nxpk= 25, iat= 348, 333, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 ILE MG2 23 ILE HB 3.50 (# 1345:25 Unique 2.43, 2.66 A)
&rst
ixpk= 1345, nxpk= 25, iat= -1, 333, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 335, 336, 337,
&end
#
# 0 AMB 25-2:1346 0 AMB 25-1:1346 4.50 (# 1346:25 Double Ambig)
&rst
ixpk= 1346, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.69, r4= 8.44,
igr1=2225,2226, 244,1891,1892,
igr2=2231,2232, 609, 598, 599,
&end
#
# 91 THR MG2 86 GLN HG- 4.50 (# 1347:25 Unique 2.69, 4.54 A)
&rst
ixpk= 1347, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1427,1428,1429,
igr2=1350,1351,
&end
#
# 23 ILE HA 23 ILE HB 4.50 (# 1348:25 Unique 3.03, 3.04 A)
&rst
ixpk= 1348, nxpk= 25, iat= 331, 333, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 PHE HD 23 ILE HB 4.50 (# 1349:25 Unique 2.75, 4.52 A)
&rst
ixpk= 1349, nxpk= 25, iat= -1, 333, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 287, 295,
&end
#
# 40 VAL HN 0 AMB 25-1:1350 3.50 (# 1350:25 Single Ambig)
&rst
ixpk= 1350, nxpk= 25, iat= 605, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 609, 598, 599,
&end
#
# 23 ILE HG1- 23 ILE HB 3.50 (# 1351:25 Unique 2.62, 2.84 A)
&rst
ixpk= 1351, nxpk= 25, iat= -1, 333, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 339, 340,
&end
#
# 0 AMB 25-2:1352 138 PRO HB- 4.50 (# 1352:25 Single Ambig)
&rst
ixpk= 1352, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=2125,2126,2098,2099,
igr2=2131,2132,
&end
#
# 0 AMB 25-2:1353 0 AMB 25-1:1353 2.80 (# 1353:25 Double Ambig)
&rst
ixpk= 1353, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 601,2240,
igr2= 598, 599,2231,2232,
&end
#
# 20 PHE HA 23 ILE HB 4.50 (# 1354:25 Unique 2.07, 2.21 A)
&rst
ixpk= 1354, nxpk= 25, iat= 281, 333, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 12 PRO HA 15 GLN HG- 5.50 (# 1355:25 Unique 4.29, 5.31 A)
&rst
ixpk= 1355, nxpk= 25, iat= 173, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 216, 217,
&end
#
# 0 AMB 25-2:1356 15 GLN HG- 4.50 (# 1356:25 Single Ambig)
&rst
ixpk= 1356, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1582,1583,1584,1586,1587,1588, 170, 171,
igr2= 216, 217,
&end
#
# 0 AMB 25-2:1357 0 AMB 25-1:1357 3.50 (# 1357:25 Double Ambig)
&rst
ixpk= 1357, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1= 78, 79, 80,1178,1179,1180,1182,1183,1184,
igr2=1607,1608,1607,1608,1607,1608,
&end
#
# 15 GLN HE2+ 15 GLN HG- 4.50 (# 1358:25 Unique 2.23, 3.44 A)
&rst
ixpk= 1358, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 221, 222,
igr2= 216, 217,
&end
#
# 0 AMB 25-2:1359 57 ILE HB 5.50 (# 1359:25 Single Ambig)
&rst
ixpk= 1359, nxpk= 25, iat= -1, 869, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1960, 607,
&end
#
# 0 AMB 25-2:1360 15 GLN HG- 2.80 (# 1360:25 Single Ambig)
&rst
ixpk= 1360, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 213, 214, 213, 214,
igr2= 216, 217,
&end
#
# 15 GLN HE2- 15 GLN HG- 4.50 (# 1361:25 Unique 2.23, 3.44 A)
&rst
ixpk= 1361, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 221, 222,
igr2= 216, 217,
&end
#
# 102 VAL MGX 15 GLN HG- 5.50 (# 1362:25 Unique 3.13, 5.84 A)
&rst
ixpk= 1362, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1582,1583,1584,1586,1587,1588,
igr2= 216, 217,
&end
#
# 15 GLN HA 15 GLN HG- 2.80 (# 1363:25 Unique 2.35, 2.76 A)
&rst
ixpk= 1363, nxpk= 25, iat= 211, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 216, 217,
&end
#
# 15 GLN HN 15 GLN HG- 3.50 (# 1364:25 Unique 2.46, 3.23 A)
&rst
ixpk= 1364, nxpk= 25, iat= 209, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 216, 217,
&end
#
# 14 ALA MB 15 GLN HG- 5.50 (# 1365:25 Unique 2.96, 4.85 A)
&rst
ixpk= 1365, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 203, 204, 205,
igr2= 216, 217,
&end
#
# 122 GLU HN 122 GLU HB+ 3.50 (# 1366:25 Unique 2.30, 2.99 A)
&rst
ixpk= 1366, nxpk= 25, iat=1874, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1878,1879,
&end
#
# 57 ILE HA 57 ILE HB 5.50 (# 1367:25 Unique 2.42, 2.52 A)
&rst
ixpk= 1367, nxpk= 25, iat= 867, 869, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:1368 0 AMB 25-1:1368 5.50 (# 1368:25 Double Ambig)
&rst
ixpk= 1368, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.52, r4=11.27,
igr1=2125,2126,1842,1891,1892, 899, 900,
igr2=2131,2132, 598, 599, 598, 599, 609,
&end
#
# 12 PRO HG+ 15 GLN HG- 5.50 (# 1369:25 Unique 6.08, 7.05 A)
&rst
ixpk= 1369, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 167, 168,
igr2= 216, 217,
&end
#
# 18 ALA MB 15 GLN HG- 5.50 (# 1370:25 Unique 4.28, 5.92 A)
&rst
ixpk= 1370, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 263, 264, 265,
igr2= 216, 217,
&end
#
# 0 AMB 25-2:1371 57 ILE HB 3.50 (# 1371:25 Single Ambig)
&rst
ixpk= 1371, nxpk= 25, iat= -1, 869, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968, 871, 872, 873,
&end
#
# 58 THR HN 57 ILE HB 5.50 (# 1372:25 Unique 4.03, 4.11 A)
&rst
ixpk= 1372, nxpk= 25, iat= 884, 869, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:1373 57 ILE HB 4.50 (# 1373:25 Single Ambig)
&rst
ixpk= 1373, nxpk= 25, iat= -1, 869, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 875, 876,1962,1963,1964,
&end
#
# 57 ILE MD1 57 ILE HB 3.50 (# 1374:25 Unique 2.40, 3.16 A)
&rst
ixpk= 1374, nxpk= 25, iat= -1, 869, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 878, 879, 880,
&end
#
# 122 GLU HA 122 GLU HB+ 4.50 (# 1375:25 Unique 2.45, 2.78 A)
&rst
ixpk= 1375, nxpk= 25, iat=1876, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1878,1879,
&end
#
# 0 AMB 25-2:1377 0 AMB 25-1:1377 5.50 (# 1377:25 Double Ambig)
&rst
ixpk= 1377, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1889,1937,
igr2=1878,1879,1878,1879,
&end
#
# 119 SER HN 122 GLU HB+ 5.50 (# 1378:25 Unique 1.85, 3.04 A)
&rst
ixpk= 1378, nxpk= 25, iat=1829, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1878,1879,
&end
#
# 0 AMB 25-2:1379 0 AMB 25-1:1379 5.50 (# 1379:25 Double Ambig)
&rst
ixpk= 1379, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.81, r4=12.56,
igr1= 360,1559, 67,1596,1597,1596,1597,
igr2= 424, 425, 424, 425,1530,1531,1530,1531, 57, 58,
57, 58,1530,1531,
&end
#
# 0 AMB 25-2:1380 0 AMB 25-1:1380 4.50 (# 1380:25 Double Ambig)
&rst
ixpk= 1380, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 417,1538,
igr2= 424, 425, 424, 425,1530,1531,1530,1531,
&end
#
# 0 AMB 25-2:1381 0 AMB 25-1:1381 4.50 (# 1381:25 Double Ambig)
&rst
ixpk= 1381, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1603,1615,1616,1615,1616,
igr2=1530,1531,1530,1531,1530,1531,
&end
#
# 0 AMB 25-2:1382 0 AMB 25-1:1382 4.50 (# 1382:25 Double Ambig)
&rst
ixpk= 1382, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1610,1611,1610,1611,
igr2=1530,1531,1530,1531,
&end
#
# 104 GLN HA 0 AMB 25-1:1383 4.50 (# 1383:25 Single Ambig)
&rst
ixpk= 1383, nxpk= 25, iat=1605, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1530,1531,1530,1531,
&end
#
# 79 VAL MGY 0 AMB 25-1:1384 3.50 (# 1384:25 Single Ambig)
&rst
ixpk= 1384, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1240,1241,1242,1244,1245,1246,
igr2=1530,1531,1530,1531,
&end
#
# 104 GLN HE2- 0 AMB 25-1:1385 5.50 (# 1385:25 Single Ambig)
&rst
ixpk= 1385, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1615,1616,
igr2=1530,1531,1530,1531,
&end
#
# 98 GLU HN 0 AMB 25-1:1386 3.50 (# 1386:25 Single Ambig)
&rst
ixpk= 1386, nxpk= 25, iat=1523, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1530,1531,1530,1531,
&end
#
# 74 TRP HN 0 AMB 25-1:1388 5.50 (# 1388:25 Single Ambig)
&rst
ixpk= 1388, nxpk= 25, iat=1131, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 57, 58, 57, 58,
&end
#
# 0 AMB 25-2:1389 0 AMB 25-1:1389 4.50 (# 1389:25 Double Ambig)
&rst
ixpk= 1389, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1389,2077,
igr2=1386,1387,1386,1387,
&end
#
# 76 LEU HB- 3 GLU HB+ 5.50 (# 1391:25 Unique 2.29, 4.22 A)
&rst
ixpk= 1391, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1173,1174,
igr2= 39, 40,
&end
#
# 0 AMB 25-2:1392 0 AMB 25-1:1392 4.50 (# 1392:25 Double Ambig)
&rst
ixpk= 1392, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 419, 384,
igr2= 424, 425, 424, 425, 424, 425,
&end
#
# 0 AMB 25-2:1393 0 AMB 25-1:1393 3.50 (# 1393:25 Double Ambig)
&rst
ixpk= 1393, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 451, 50,
igr2= 424, 425, 424, 425, 57, 58, 57, 58,
&end
#
# 5 ILE HN 0 AMB 25-1:1394 4.50 (# 1394:25 Single Ambig)
&rst
ixpk= 1394, nxpk= 25, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 57, 58, 57, 58,
&end
#
# 4 GLU HN 3 GLU HB+ 5.50 (# 1395:25 Unique 2.42, 3.88 A)
&rst
ixpk= 1395, nxpk= 25, iat= 50, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 39, 40,
&end
#
# 3 GLU HA 3 GLU HB+ 3.50 (# 1396:25 Unique 2.39, 2.74 A)
&rst
ixpk= 1396, nxpk= 25, iat= 37, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 39, 40,
&end
#
# 0 AMB 25-2:1397 0 AMB 25-1:1397 3.50 (# 1397:25 Double Ambig)
&rst
ixpk= 1397, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
igr2= 39, 40, 39, 40,
&end
#
# 94 PHE HE 92 MET HB+ 5.50 (# 1399:25 Unique 2.28, 5.79 A)
&rst
ixpk= 1399, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1476,1480,
igr2=1439,1440,
&end
#
# 0 AMB 25-2:1402 0 AMB 25-1:1402 5.50 (# 1402:25 Double Ambig)
&rst
ixpk= 1402, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1474,1482,1401,1410,
igr2=1439,1440,1439,1440,
&end
#
# 93 THR HN 92 MET HB+ 5.50 (# 1403:25 Unique 2.52, 3.50 A)
&rst
ixpk= 1403, nxpk= 25, iat=1452, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1439,1440,
&end
#
# 0 AMB 25-2:1405 0 AMB 25-1:1405 5.50 (# 1405:25 Double Ambig)
&rst
ixpk= 1405, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1095,2005,
igr2=1102,1103,2043,2044,
&end
#
# 72 GLN HA 72 GLN HG- 4.50 (# 1406:25 Unique 2.37, 2.79 A)
&rst
ixpk= 1406, nxpk= 25, iat=1097, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1102,1103,
&end
#
# 133 MET HN 133 MET HB+ 5.50 (# 1408:25 Unique 2.25, 2.55 A)
&rst
ixpk= 1408, nxpk= 25, iat=2039, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2043,2044,
&end
#
# 72 GLN HE2- 72 GLN HG- 5.50 (# 1409:25 Unique 2.34, 3.27 A)
&rst
ixpk= 1409, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1107,1108,
igr2=1102,1103,
&end
#
# 0 AMB 25-2:1410 0 AMB 25-1:1410 5.50 (# 1410:25 Double Ambig)
&rst
ixpk= 1410, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1435,1324,
igr2=1439,1440,1439,1440,
&end
#
# 92 MET HA 92 MET HB+ 4.50 (# 1411:25 Unique 2.42, 2.65 A)
&rst
ixpk= 1411, nxpk= 25, iat=1437, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1439,1440,
&end
#
# 139 VAL HA 139 VAL HB 2.80 (# 1413:25 Unique 2.39, 2.64 A)
&rst
ixpk= 1413, nxpk= 25, iat=2140,2142, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:1415 139 VAL HB 2.80 (# 1415:25 Single Ambig)
&rst
ixpk= 1415, nxpk= 25, iat= -1,2142, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2144,2145,2146,2148,2149,2150,2144,2145,2146,2148,
2149,2150,
&end
#
# 11 SER HN 11 SER HA 5.50 (# 1416:25 Unique 2.65, 2.81 A)
&rst
ixpk= 1416, nxpk= 25, iat= 152, 154, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 67 PHE HD 11 SER HA 5.50 (# 1417:25 Unique 2.34, 3.85 A)
&rst
ixpk= 1417, nxpk= 25, iat= -1, 154, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1036,1044,
&end
#
# 72 GLN HN 0 AMB 25-1:1418 4.50 (# 1418:25 Single Ambig)
&rst
ixpk= 1418, nxpk= 25, iat=1095, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1099,1100,1099,1100,
&end
#
# 0 AMB 25-2:1419 11 SER HA 4.50 (# 1419:25 Single Ambig)
&rst
ixpk= 1419, nxpk= 25, iat= -1, 154, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 156, 157, 156, 157,
&end
#
# 0 AMB 25-2:1420 11 SER HA 5.50 (# 1420:25 Single Ambig)
&rst
ixpk= 1420, nxpk= 25, iat= -1, 154, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 140, 795,
&end
#
# 72 GLN HA 0 AMB 25-1:1421 3.50 (# 1421:25 Single Ambig)
&rst
ixpk= 1421, nxpk= 25, iat=1097, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1099,1100,1099,1100,
&end
#
# 0 AMB 25-2:1422 0 AMB 25-1:1422 4.50 (# 1422:25 Double Ambig)
&rst
ixpk= 1422, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1814,1756,
igr2=1816,1817,1816,1817,
&end
#
# 0 AMB 25-2:1423 0 AMB 25-1:1423 4.50 (# 1423:25 Double Ambig)
&rst
ixpk= 1423, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 368, 369, 368, 369,
igr2= 362, 363, 362, 363,
&end
#
# 147 ALA MB 144 VAL HB 5.50 (# 1425:25 Unique 5.06, 6.59 A)
&rst
ixpk= 1425, nxpk= 25, iat= -1,2212, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2259,2260,2261,
&end
#
# 0 AMB 25-2:1426 0 AMB 25-1:1426 3.50 (# 1426:25 Double Ambig)
&rst
ixpk= 1426, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 358, 382, 94,
igr2= 362, 363, 362, 363,1099,1100,
&end
#
# 61 MET HN 61 MET HG+ 4.50 (# 1427:25 Unique 2.35, 3.16 A)
&rst
ixpk= 1427, nxpk= 25, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 943, 944,
&end
#
# 145 PRO HD- 144 VAL HB 3.50 (# 1428:25 Unique 2.20, 3.58 A)
&rst
ixpk= 1428, nxpk= 25, iat= -1,2212, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2225,2226,
&end
#
# 144 VAL HA 144 VAL HB 2.80 (# 1429:25 Unique 2.33, 2.41 A)
&rst
ixpk= 1429, nxpk= 25, iat=2210,2212, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 145 PRO HD+ 144 VAL HB 3.50 (# 1430:25 Unique 2.20, 3.58 A)
&rst
ixpk= 1430, nxpk= 25, iat= -1,2212, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2225,2226,
&end
#
# 144 VAL HN 144 VAL HB 3.50 (# 1431:25 Unique 2.72, 3.44 A)
&rst
ixpk= 1431, nxpk= 25, iat=2208,2212, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:1432 0 AMB 25-1:1432 5.50 (# 1432:25 Double Ambig)
&rst
ixpk= 1432, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1326,1362,
igr2=1347,1348,1347,1348,
&end
#
# 86 GLN HA 86 GLN HB+ 3.50 (# 1435:25 Unique 2.60, 2.84 A)
&rst
ixpk= 1435, nxpk= 25, iat=1345, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1347,1348,
&end
#
# 0 AMB 25-2:1436 0 AMB 25-1:1436 3.50 (# 1436:25 Double Ambig)
&rst
ixpk= 1436, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 299,1343,
igr2= 303, 304,1347,1348,
&end
#
# 130 CYS HA 133 MET HB- 5.50 (# 1437:25 Unique 2.33, 3.40 A)
&rst
ixpk= 1437, nxpk= 25, iat=1996, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2043,2044,
&end
#
# 0 AMB 25-2:1439 21 GLU HB- 4.50 (# 1439:25 Single Ambig)
&rst
ixpk= 1439, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 605, 329, 269,
igr2= 303, 304,
&end
#
# 21 GLU HA 21 GLU HB- 4.50 (# 1440:25 Unique 2.49, 2.81 A)
&rst
ixpk= 1440, nxpk= 25, iat= 301, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 303, 304,
&end
#
# 0 AMB 25-2:1441 0 AMB 25-1:1441 5.50 (# 1441:25 Double Ambig)
&rst
ixpk= 1441, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2041, 771, 772,
igr2=2043,2044,1102,1103,
&end
#
# 18 ALA HA 21 GLU HB- 4.50 (# 1442:25 Unique 2.47, 2.80 A)
&rst
ixpk= 1442, nxpk= 25, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 303, 304,
&end
#
# 98 GLU HA 98 GLU HB+ 4.50 (# 1444:25 Unique 2.40, 2.74 A)
&rst
ixpk= 1444, nxpk= 25, iat=1525, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1527,1528,
&end
#
# 104 GLN HG+ 98 GLU HB+ 5.50 (# 1445:25 Unique 2.22, 4.12 A)
&rst
ixpk= 1445, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1610,1611,
igr2=1527,1528,
&end
#
# 99 LEU HN 98 GLU HB+ 4.50 (# 1446:25 Unique 4.17, 4.44 A)
&rst
ixpk= 1446, nxpk= 25, iat=1538, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1527,1528,
&end
#
# 111 MET HA 111 MET HB+ 5.50 (# 1447:25 Unique 2.27, 2.66 A)
&rst
ixpk= 1447, nxpk= 25, iat=1714, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1716,1717,
&end
#
# 98 GLU HN 98 GLU HB+ 4.50 (# 1449:25 Unique 2.48, 2.80 A)
&rst
ixpk= 1449, nxpk= 25, iat=1523, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1527,1528,
&end
#
# 96 VAL MGY 81 GLU HB- 4.50 (# 1452:25 Unique 2.73, 5.38 A)
&rst
ixpk= 1452, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1506,1507,1508,1510,1511,1512,
igr2=1265,1266,
&end
#
# 96 VAL MGX 79 VAL HB 4.50 (# 1453:25 Unique 2.72, 6.34 A)
&rst
ixpk= 1453, nxpk= 25, iat= -1,1238, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 0 AMB 25-2:1455 0 AMB 25-1:1455 5.50 (# 1455:25 Double Ambig)
&rst
ixpk= 1455, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2296, 50,2272,
igr2=2276,2277, 39, 40,
&end
#
# 80 SER HA 79 VAL HB 5.50 (# 1456:25 Unique 5.33, 5.52 A)
&rst
ixpk= 1456, nxpk= 25, iat=1252,1238, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 122 GLU HN 121 GLU HB+ 3.50 (# 1457:25 Unique 2.56, 3.19 A)
&rst
ixpk= 1457, nxpk= 25, iat=1874, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1863,1864,
&end
#
# 76 LEU HB- 3 GLU HB- 5.50 (# 1458:25 Unique 2.29, 4.22 A)
&rst
ixpk= 1458, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1173,1174,
igr2= 39, 40,
&end
#
# 78 LYS HG- 79 VAL HB 5.50 (# 1459:25 Unique 3.60, 5.44 A)
&rst
ixpk= 1459, nxpk= 25, iat= -1,1238, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1219,1220,
&end
#
# 79 VAL HA 79 VAL HB 3.50 (# 1460:25 Unique 2.18, 2.79 A)
&rst
ixpk= 1460, nxpk= 25, iat=1236,1238, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 VAL HN 79 VAL HB 2.80 (# 1461:25 Unique 2.16, 2.59 A)
&rst
ixpk= 1461, nxpk= 25, iat=1234,1238, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 79 VAL MGY 79 VAL HB 2.80 (# 1462:25 Unique 2.35, 2.64 A)
&rst
ixpk= 1462, nxpk= 25, iat= -1,1238, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1240,1241,1242,1244,1245,1246,
&end
#
# 0 AMB 25-2:1463 0 AMB 25-1:1463 2.80 (# 1463:25 Double Ambig)
&rst
ixpk= 1463, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1859,1343,
igr2=1863,1864,1347,1348,
&end
#
# 0 AMB 25-2:1464 0 AMB 25-1:1464 2.80 (# 1464:25 Double Ambig)
&rst
ixpk= 1464, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 316, 360,1263,
igr2= 362, 363,1265,1266,
&end
#
# 0 AMB 25-2:1466 0 AMB 25-1:1466 3.50 (# 1466:25 Double Ambig)
&rst
ixpk= 1466, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1345,2107,
igr2=1347,1348,1383,1384,
&end
#
# 80 SER HN 79 VAL HB 4.50 (# 1468:25 Unique 3.56, 3.73 A)
&rst
ixpk= 1468, nxpk= 25, iat=1250,1238, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 134 ILE HN 133 MET ME 5.50 (# 1470:25 Unique 3.98, 5.54 A)
&rst
ixpk= 1470, nxpk= 25, iat=2056, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2050,2051,2052,
&end
#
# 0 AMB 25-2:1471 0 AMB 25-1:1471 3.50 (# 1471:25 Double Ambig)
&rst
ixpk= 1471, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1326,1362,
igr2=1347,1348,1383,1384,
&end
#
# 81 GLU HN 81 GLU HB- 2.80 (# 1472:25 Unique 2.27, 3.06 A)
&rst
ixpk= 1472, nxpk= 25, iat=1261, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1265,1266,
&end
#
# 141 ASN HA 0 AMB 25-1:1473 5.50 (# 1473:25 Single Ambig)
&rst
ixpk= 1473, nxpk= 25, iat=2170, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=2186,2187,2186,2187,
&end
#
# 0 AMB 25-2:1474 0 AMB 25-1:1474 5.50 (# 1474:25 Double Ambig)
&rst
ixpk= 1474, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1=1427,1428,1429,1903,1904,1900,1901,
igr2=1347,1348,1863,1864,1863,1864,
&end
#
# 98 GLU HA 98 GLU HB- 3.50 (# 1475:25 Unique 2.40, 2.74 A)
&rst
ixpk= 1475, nxpk= 25, iat=1525, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1527,1528,
&end
#
# 119 SER HN 118 MET HB- 5.50 (# 1476:25 Unique 2.18, 3.76 A)
&rst
ixpk= 1476, nxpk= 25, iat=1829, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1816,1817,
&end
#
# 60 TRP HD1 61 MET HG- 5.50 (# 1477:25 Unique 2.05, 4.71 A)
&rst
ixpk= 1477, nxpk= 25, iat= 920, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 943, 944,
&end
#
# 0 AMB 25-2:1478 0 AMB 25-1:1478 5.50 (# 1478:25 Double Ambig)
&rst
ixpk= 1478, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 201, 567, 568,
igr2= 249, 250, 556, 557,
&end
#
# 0 AMB 25-2:1479 118 MET HB- 4.50 (# 1479:25 Single Ambig)
&rst
ixpk= 1479, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1814,1756,
igr2=1816,1817,
&end
#
# 17 GLN HE2- 17 GLN HG- 4.50 (# 1480:25 Unique 2.23, 3.17 A)
&rst
ixpk= 1480, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 254, 255,
igr2= 249, 250,
&end
#
# 0 AMB 25-2:1481 0 AMB 25-1:1481 2.80 (# 1481:25 Double Ambig)
&rst
ixpk= 1481, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.75, r4= 7.50,
igr1=1156,1157,1156,1157,2225,2226,2225,2226,2183,2184,
2183,2184,2183,2184,
igr2=1159,1160,1159,1160,2228,2229,2228,2229,2186,2187,
2186,2187,2186,2187,
&end
#
# 18 ALA HN 17 GLN HG- 4.50 (# 1482:25 Unique 3.55, 4.22 A)
&rst
ixpk= 1482, nxpk= 25, iat= 259, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 249, 250,
&end
#
# 118 MET HN 118 MET HB- 4.50 (# 1483:25 Unique 2.16, 2.77 A)
&rst
ixpk= 1483, nxpk= 25, iat=1812, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1816,1817,
&end
#
# 142 PRO HA 142 PRO HB- 2.80 (# 1484:25 Unique 2.33, 2.53 A)
&rst
ixpk= 1484, nxpk= 25, iat=2192, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2189,2190,
&end
#
# 0 AMB 25-2:1485 0 AMB 25-1:1485 4.50 (# 1485:25 Double Ambig)
&rst
ixpk= 1485, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 242,1234,
igr2= 249, 250,1527,1528,
&end
#
# 87 LEU MDX 134 ILE HB 3.50 (# 1486:25 Unique 2.23, 4.62 A)
&rst
ixpk= 1486, nxpk= 25, iat= -1,2060, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1369,1370,1371,1373,1374,1375,
&end
#
0 AMB 25-2:1488 0 AMB 25-1:1488 3.50 (# 1488:25 Double Ambig)
&rst
ixpk= 1488, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1= 611, 612, 613, 615, 616, 617, 578, 579,
igr2= 249, 250, 556, 557,
&end
#
# 17 GLN HA 17 GLN HG- 3.50 (# 1489:25 Unique 2.33, 2.71 A)
&rst
ixpk= 1489, nxpk= 25, iat= 244, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 249, 250,
&end
#
# 0 AMB 25-2:1490 0 AMB 25-1:1490 2.80 (# 1490:25 Double Ambig)
&rst
ixpk= 1490, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=2189,2190,2189,2190, 249, 250, 249, 250,2231,2232,
2231,2232,1162,1163,1162,1163,2131,2132,
igr2=2186,2187,2186,2187, 246, 247, 246, 247,2228,2229,
2228,2229,1159,1160,1159,1160,2128,2129,2128,2129,
&end
#
# 17 GLN HE2+ 17 GLN HG- 2.80 (# 1491:25 Unique 2.23, 3.17 A)
&rst
ixpk= 1491, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 254, 255,
igr2= 249, 250,
&end
#
# 0 AMB 25-2:1492 25 ARG HB- 3.50 (# 1492:25 Single Ambig)
&rst
ixpk= 1492, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 368, 369, 368, 369,
igr2= 362, 363,
&end
#
# 0 AMB 25-2:1493 142 PRO HB- 3.50 (# 1493:25 Single Ambig)
&rst
ixpk= 1493, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2183,2184,2183,2184,
igr2=2189,2190,
&end
#
# 0 AMB 25-2:1494 0 AMB 25-1:1494 3.50 (# 1494:25 Double Ambig)
&rst
ixpk= 1494, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 648, 649, 650, 652, 653, 654,1506,1507,1508,1510,
1511,1512,
igr2= 249, 250,1527,1528,
&end
#
# 0 AMB 25-2:1495 0 AMB 25-1:1495 5.50 (# 1495:25 Double Ambig)
&rst
ixpk= 1495, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=2255,2196,
igr2=2228,2229,2228,2229,2186,2187,2186,2187,
&end
#
# 0 AMB 25-2:1496 0 AMB 25-1:1496 2.80 (# 1496:25 Double Ambig)
&rst
ixpk= 1496, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=2234,2192,2210,
igr2=2228,2229,2228,2229,2186,2187,2186,2187,
&end
#
# 0 AMB 25-2:1497 0 AMB 25-1:1497 2.80 (# 1497:25 Double Ambig)
&rst
ixpk= 1497, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=2125,2126,2125,2126,
igr2=2128,2129,2128,2129,
&end
#
# 124 GLN HN 124 GLN HG- 4.50 (# 1498:25 Unique 2.25, 3.16 A)
&rst
ixpk= 1498, nxpk= 25, iat=1896, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1903,1904,
&end
#
# 0 AMB 25-2:1499 0 AMB 25-1:1499 2.80 (# 1499:25 Double Ambig)
&rst
ixpk= 1499, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.65, r4= 7.40,
igr1= 648, 649, 650, 652, 653, 654, 611, 612, 613, 615,
616, 617,2112, 184, 185,
igr2= 246, 247, 246, 247, 246, 247,2128,2129,2128,2129,
246, 247,
&end
#
# 133 MET HA 133 MET ME 5.50 (# 1500:25 Unique 5.10, 5.79 A)
&rst
ixpk= 1500, nxpk= 25, iat=2041, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2050,2051,2052,
&end
#
# 0 AMB 25-2:1501 0 AMB 25-1:1501 3.50 (# 1501:25 Double Ambig)
&rst
ixpk= 1501, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=2240,2107,
igr2=2228,2229,2228,2229,2128,2129,2128,2129,
&end
#
# 0 AMB 25-2:1504 0 AMB 25-1:1504 2.80 (# 1504:25 Double Ambig)
&rst
ixpk= 1504, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=2125,2126, 201,
igr2=2128,2129,2128,2129, 246, 247, 246, 247,
&end
#
# 134 ILE HG1- 134 ILE HB 4.50 (# 1505:25 Unique 2.28, 2.75 A)
&rst
ixpk= 1505, nxpk= 25, iat= -1,2060, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2066,2067,
&end
#
# 131 ALA HN 133 MET ME 5.50 (# 1506:25 Unique 5.38, 6.73 A)
&rst
ixpk= 1506, nxpk= 25, iat=2005, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2050,2051,2052,
&end
#
# 134 ILE MD1 134 ILE HB 2.80 (# 1507:25 Unique 2.37, 3.16 A)
&rst
ixpk= 1507, nxpk= 25, iat= -1,2060, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2069,2070,2071,
&end
#
# 92 MET HA 92 MET HB- 5.50 (# 1509:25 Unique 2.42, 2.65 A)
&rst
ixpk= 1509, nxpk= 25, iat=1437, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1439,1440,
&end
#
# 134 ILE HA 134 ILE HB 4.50 (# 1510:25 Unique 2.27, 2.33 A)
&rst
ixpk= 1510, nxpk= 25, iat=2058,2060, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:1512 92 MET HB- 5.50 (# 1512:25 Single Ambig)
&rst
ixpk= 1512, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1474,1482,1401,1410,
igr2=1439,1440,
&end
#
# 0 AMB 25-2:1513 61 MET HG- 5.50 (# 1513:25 Single Ambig)
&rst
ixpk= 1513, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 890, 891, 892, 855, 856, 857, 859, 860, 861,
igr2= 943, 944,
&end
#
# 124 GLN HA 124 GLN HG- 5.50 (# 1515:25 Unique 2.39, 2.89 A)
&rst
ixpk= 1515, nxpk= 25, iat=1898, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1903,1904,
&end
#
# 94 PHE HE 92 MET HB- 5.50 (# 1517:25 Unique 2.28, 5.79 A)
&rst
ixpk= 1517, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1476,1480,
igr2=1439,1440,
&end
#
# 0 AMB 25-2:1518 0 AMB 25-1:1518 2.80 (# 1518:25 Double Ambig)
&rst
ixpk= 1518, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 559,2192,
igr2= 556, 557,2189,2190,
&end
#
# 0 AMB 25-2:1519 77 ARG HB- 5.50 (# 1519:25 Single Ambig)
&rst
ixpk= 1519, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1212,1188,
igr2=1192,1193,
&end
#
# 0 AMB 25-2:1520 124 GLN HG- 4.50 (# 1520:25 Single Ambig)
&rst
ixpk= 1520, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1908,1909, 629, 638,
igr2=1903,1904,
&end
#
# 0 AMB 25-2:1521 0 AMB 25-1:1521 3.50 (# 1521:25 Double Ambig)
&rst
ixpk= 1521, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1523, 621,
igr2=1527,1528, 249, 250,
&end
#
# 132 ARG HN 132 ARG HB+ 5.50 (# 1522:25 Unique 2.22, 2.99 A)
&rst
ixpk= 1522, nxpk= 25, iat=2015, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2019,2020,
&end
#
# 89 TYR HB- 92 MET HB- 4.50 (# 1523:25 Unique 4.92, 7.40 A)
&rst
ixpk= 1523, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1397,1398,
igr2=1439,1440,
&end
#
# 0 AMB 25-2:1524 124 GLN HG- 2.80 (# 1524:25 Single Ambig)
&rst
ixpk= 1524, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1900,1901,1920,1921,1920,1921,
igr2=1903,1904,
&end
#
# 0 AMB 25-2:1526 98 GLU HB- 5.50 (# 1526:25 Single Ambig)
&rst
ixpk= 1526, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1615,1616,1603,
igr2=1527,1528,
&end
#
# 36 PRO HD+ 36 PRO HB- 5.50 (# 1527:25 Unique 2.72, 3.66 A)
&rst
ixpk= 1527, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 550, 551,
igr2= 556, 557,
&end
#
# 0 AMB 25-2:1528 0 AMB 25-1:1528 5.50 (# 1528:25 Double Ambig)
&rst
ixpk= 1528, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1610,1611, 625, 626,
igr2=1527,1528,1903,1904,
&end
#
# 48 PHE HB+ 49 GLU HB+ 4.50 (# 1530:25 Unique 3.81, 5.67 A)
&rst
ixpk= 1530, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 738, 739,
igr2= 758, 759,
&end
#
# 74 TRP HB- 5 ILE HB 3.50 (# 1531:25 Unique 2.16, 2.87 A)
&rst
ixpk= 1531, nxpk= 25, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1135,1136,
&end
#
# 0 AMB 25-2:1532 0 AMB 25-1:1532 4.50 (# 1532:25 Double Ambig)
&rst
ixpk= 1532, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 736, 778, 717,
igr2= 758, 759, 758, 759, 758, 759,
&end
#
# 5 ILE HG1- 5 ILE HB 3.50 (# 1533:25 Unique 2.40, 2.71 A)
&rst
ixpk= 1533, nxpk= 25, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 75, 76,
&end
#
# 5 ILE HN 5 ILE HB 3.50 (# 1534:25 Unique 2.38, 2.60 A)
&rst
ixpk= 1534, nxpk= 25, iat= 65, 69, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 49 GLU HA 49 GLU HB+ 3.50 (# 1535:25 Unique 2.40, 2.77 A)
&rst
ixpk= 1535, nxpk= 25, iat= 756, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 758, 759,
&end
#
# 99 LEU HB- 102 VAL HB 5.50 (# 1536:25 Unique 2.06, 3.06 A)
&rst
ixpk= 1536, nxpk= 25, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1542,1543,
&end
#
# 5 ILE MG2 5 ILE HB 2.80 (# 1537:25 Unique 2.40, 2.67 A)
&rst
ixpk= 1537, nxpk= 25, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 71, 72, 73,
&end
#
# 74 TRP HB+ 5 ILE HB 4.50 (# 1538:25 Unique 2.16, 2.87 A)
&rst
ixpk= 1538, nxpk= 25, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1135,1136,
&end
#
# 74 TRP HN 5 ILE HB 4.50 (# 1540:25 Unique 2.80, 3.29 A)
&rst
ixpk= 1540, nxpk= 25, iat=1131, 69, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:1541 5 ILE HB 5.50 (# 1541:25 Single Ambig)
&rst
ixpk= 1541, nxpk= 25, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 84, 50,
&end
#
# 49 GLU HG- 49 GLU HB+ 3.50 (# 1543:25 Unique 2.38, 2.66 A)
&rst
ixpk= 1543, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 761, 762,
igr2= 758, 759,
&end
#
# 0 AMB 25-2:1544 5 ILE HB 3.50 (# 1544:25 Single Ambig)
&rst
ixpk= 1544, nxpk= 25, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 75, 76,1055,1056,
&end
#
# 0 AMB 25-2:1545 5 ILE HB 4.50 (# 1545:25 Single Ambig)
&rst
ixpk= 1545, nxpk= 25, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 67, 96, 97,1596,1597,
&end
#
# 105 TYR HA 105 TYR HB- 5.50 (# 1546:25 Unique 2.29, 2.43 A)
&rst
ixpk= 1546, nxpk= 25, iat=1622, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1624,1625,
&end
#
# 105 TYR HD 105 TYR HB- 5.50 (# 1547:25 Unique 2.29, 3.10 A)
&rst
ixpk= 1547, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1628,1637,
igr2=1624,1625,
&end
#
# 0 AMB 25-2:1548 0 AMB 25-1:1548 2.80 (# 1548:25 Double Ambig)
&rst
ixpk= 1548, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1582,1583,1584,1586,1587,1588,1506,1507,1508,1510,
1511,1512,
igr2=1580,1527,1528,
&end
#
# 99 LEU MDY 102 VAL HB 5.50 (# 1549:25 Unique 2.49, 4.77 A)
&rst
ixpk= 1549, nxpk= 25, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1547,1548,1549,1551,1552,1553,
&end
#
# 102 VAL MGX 102 VAL HB 3.50 (# 1550:25 Unique 2.34, 2.66 A)
&rst
ixpk= 1550, nxpk= 25, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1582,1583,1584,1586,1587,1588,
&end
#
# 0 AMB 25-2:1551 92 MET ME 3.50 (# 1551:25 Single Ambig)
&rst
ixpk= 1551, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.60, r4= 7.35,
igr1=1702,1703,1704,1706,1707,1708,1702,1703,1704,1706,
1707,1708,2062,2063,2064,
igr2=1446,1447,1448,
&end
#
# 108 CYS HB- 92 MET ME 5.50 (# 1552:25 Unique 2.87, 5.09 A)
&rst
ixpk= 1552, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1675,1676,
igr2=1446,1447,1448,
&end
#
# 0 AMB 25-2:1553 92 MET ME 5.50 (# 1553:25 Single Ambig)
&rst
ixpk= 1553, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1435,1324,
igr2=1446,1447,1448,
&end
#
# 0 AMB 25-2:1554 92 MET ME 4.50 (# 1554:25 Single Ambig)
&rst
ixpk= 1554, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1401,1410,1474,1482,
igr2=1446,1447,1448,
&end
#
# 0 AMB 25-2:1555 0 AMB 25-1:1555 4.50 (# 1555:25 Double Ambig)
&rst
ixpk= 1555, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 736, 778, 717,
igr2= 758, 759, 758, 759, 758, 759,
&end
#
# 87 LEU MDX 92 MET ME 3.50 (# 1556:25 Unique 2.25, 4.99 A)
&rst
ixpk= 1556, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1369,1370,1371,1373,1374,1375,
igr2=1446,1447,1448,
&end
#
# 89 TYR HE 92 MET ME 5.50 (# 1557:25 Unique 2.76, 6.05 A)
&rst
ixpk= 1557, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1403,1408,
igr2=1446,1447,1448,
&end
#
# 90 GLY HA+ 92 MET ME 5.50 (# 1558:25 Unique 2.40, 6.95 A)
&rst
ixpk= 1558, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1416,1417,
igr2=1446,1447,1448,
&end
#
# 94 PHE HE 92 MET ME 4.50 (# 1559:25 Unique 2.36, 5.08 A)
&rst
ixpk= 1559, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1476,1480,
igr2=1446,1447,1448,
&end
#
# 134 ILE HA 92 MET ME 5.50 (# 1560:25 Unique 4.85, 7.24 A)
&rst
ixpk= 1560, nxpk= 25, iat=2058, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1446,1447,1448,
&end
#
# 0 AMB 25-2:1561 0 AMB 25-1:1561 3.50 (# 1561:25 Double Ambig)
&rst
ixpk= 1561, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1592,1913,
igr2=1580,1903,1904,
&end
#
# 93 THR HN 92 MET ME 5.50 (# 1562:25 Unique 4.41, 6.43 A)
&rst
ixpk= 1562, nxpk= 25, iat=1452, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1446,1447,1448,
&end
#
# 0 AMB 25-2:1563 160 GLU HB- 5.50 (# 1563:25 Single Ambig)
&rst
ixpk= 1563, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2419,2454,
igr2=2465,2466,
&end
#
# 119 SER HN 122 GLU HB- 5.50 (# 1565:25 Unique 1.85, 3.04 A)
&rst
ixpk= 1565, nxpk= 25, iat=1829, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1878,1879,
&end
#
# 99 LEU MDX 102 VAL HB 5.50 (# 1566:25 Unique 2.49, 4.77 A)
&rst
ixpk= 1566, nxpk= 25, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1547,1548,1549,1551,1552,1553,
&end
#
# 4 GLU HN 4 GLU HB+ 3.50 (# 1567:25 Unique 2.48, 3.37 A)
&rst
ixpk= 1567, nxpk= 25, iat= 50, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 54, 55,
&end
#
# 157 ARG HA 157 ARG HB+ 2.80 (# 1569:25 Unique 2.36, 2.66 A)
&rst
ixpk= 1569, nxpk= 25, iat=2421, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2423,2424,
&end
#
# 70 PRO HA 70 PRO HB- 4.50 (# 1571:25 Unique 2.25, 2.58 A)
&rst
ixpk= 1571, nxpk= 25, iat=1079, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1076,1077,
&end
#
# 122 GLU HA 0 AMB 25-1:1572 2.80 (# 1572:25 Single Ambig)
&rst
ixpk= 1572, nxpk= 25, iat=1876, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1917,1918,1917,1918,1878,1879,
&end
#
# 0 AMB 25-2:1573 25 ARG HB- 2.80 (# 1573:25 Single Ambig)
&rst
ixpk= 1573, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 358, 382,
igr2= 362, 363,
&end
#
# 0 AMB 25-2:1574 132 ARG HG- 2.80 (# 1574:25 Single Ambig)
&rst
ixpk= 1574, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2025,2026,2025,2026,
igr2=2022,2023,
&end
#
# 132 ARG HN 132 ARG HB- 5.50 (# 1575:25 Unique 2.22, 2.99 A)
&rst
ixpk= 1575, nxpk= 25, iat=2015, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2019,2020,
&end
#
# 126 LEU HN 0 AMB 25-1:1576 4.50 (# 1576:25 Single Ambig)
&rst
ixpk= 1576, nxpk= 25, iat=1937, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1917,1918,1917,1918,
&end
#
# 156 ARG HN 156 ARG HB+ 5.50 (# 1577:25 Unique 2.54, 3.31 A)
&rst
ixpk= 1577, nxpk= 25, iat=2395, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2399,2400,
&end
#
# 132 ARG HN 132 ARG HG- 4.50 (# 1579:25 Unique 1.92, 3.27 A)
&rst
ixpk= 1579, nxpk= 25, iat=2015, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2022,2023,
&end
#
# 0 AMB 25-2:1580 0 AMB 25-1:1580 3.50 (# 1580:25 Double Ambig)
&rst
ixpk= 1580, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 406, 382,
igr2= 365, 366, 365, 366,
&end
#
# 0 AMB 25-2:1581 0 AMB 25-1:1581 3.50 (# 1581:25 Double Ambig)
&rst
ixpk= 1581, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 384, 419,
igr2= 365, 366, 365, 366,
&end
#
# 156 ARG HN 157 ARG HB- 5.50 (# 1582:25 Unique 4.65, 5.90 A)
&rst
ixpk= 1582, nxpk= 25, iat=2395, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2423,2424,
&end
#
# 0 AMB 25-2:1585 4 GLU HB- 3.50 (# 1585:25 Single Ambig)
&rst
ixpk= 1585, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1121,1122,1123,1125,1126,1127,1121,1122,1123,1125,
1126,1127,
igr2= 54, 55,
&end
#
# 0 AMB 25-2:1586 4 GLU HB- 5.50 (# 1586:25 Single Ambig)
&rst
ixpk= 1586, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=1116,1117, 88, 89, 90,
igr2= 54, 55,
&end
#
# 0 AMB 25-2:1587 0 AMB 25-1:1587 2.80 (# 1587:25 Double Ambig)
&rst
ixpk= 1587, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1=2429,2430,2429,2430,2405,2406,2405,2406,
igr2=2423,2424,2423,2424,2399,2400,2399,2400,
&end
#
# 63 SER HN 61 MET ME 5.50 (# 1588:25 Unique 2.97, 5.70 A)
&rst
ixpk= 1588, nxpk= 25, iat= 972, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 947, 948, 949,
&end
#
# 150 ARG HA 0 AMB 25-1:1589 3.50 (# 1589:25 Single Ambig)
&rst
ixpk= 1589, nxpk= 25, iat=2298, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=2300,2301,2300,2301,
&end
#
# 61 MET HB+ 61 MET ME 5.50 (# 1590:25 Unique 3.95, 4.93 A)
&rst
ixpk= 1590, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 940, 941,
igr2= 947, 948, 949,
&end
#
# 0 AMB 25-2:1591 61 MET ME 2.80 (# 1591:25 Single Ambig)
&rst
ixpk= 1591, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1= 855, 856, 857, 859, 860, 861, 890, 891, 892,
igr2= 947, 948, 949,
&end
#
# 60 TRP HZ2 61 MET ME 5.50 (# 1592:25 Unique 2.99, 4.87 A)
&rst
ixpk= 1592, nxpk= 25, iat= 925, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 947, 948, 949,
&end
#
# 0 AMB 25-2:1593 61 MET ME 4.50 (# 1593:25 Single Ambig)
&rst
ixpk= 1593, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 287, 295, 912,
igr2= 947, 948, 949,
&end
#
# 60 TRP HE1 61 MET ME 5.50 (# 1594:25 Unique 2.43, 4.63 A)
&rst
ixpk= 1594, nxpk= 25, iat= 922, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 947, 948, 949,
&end
#
# 56 VAL MGX 61 MET ME 3.50 (# 1595:25 Unique 2.21, 5.25 A)
&rst
ixpk= 1595, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 855, 856, 857, 859, 860, 861,
igr2= 947, 948, 949,
&end
#
# 23 ILE MD1 23 ILE HG1- 3.50 (# 1596:25 Unique 2.37, 2.66 A)
&rst
ixpk= 1596, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 342, 343, 344,
igr2= 339, 340,
&end
#
# 0 AMB 25-2:1597 61 MET ME 4.50 (# 1597:25 Single Ambig)
&rst
ixpk= 1597, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 976, 977, 899, 900,
igr2= 947, 948, 949,
&end
#
# 0 AMB 25-2:1598 0 AMB 25-1:1598 3.50 (# 1598:25 Double Ambig)
&rst
ixpk= 1598, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 392, 393, 392, 393,
igr2= 365, 366, 365, 366,
&end
#
# 40 VAL MGX 61 MET ME 4.50 (# 1599:25 Unique 5.09, 7.94 A)
&rst
ixpk= 1599, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 947, 948, 949,
&end
#
# 0 AMB 25-2:1600 61 MET ME 4.50 (# 1600:25 Single Ambig)
&rst
ixpk= 1600, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 976, 977,1686,1687,1686,1687,
igr2= 947, 948, 949,
&end
#
# 125 ARG HA 0 AMB 25-1:1601 3.50 (# 1601:25 Single Ambig)
&rst
ixpk= 1601, nxpk= 25, iat=1915, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1917,1918,1917,1918,
&end
#
# 5 ILE HN 4 GLU HB- 4.50 (# 1603:25 Unique 2.14, 3.14 A)
&rst
ixpk= 1603, nxpk= 25, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 54, 55,
&end
#
# 120 ILE MG2 121 GLU HB- 5.50 (# 1604:25 Unique 5.42, 7.31 A)
&rst
ixpk= 1604, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1846,1847,1848,
igr2=1863,1864,
&end
#
# 0 AMB 25-2:1605 0 AMB 25-1:1605 2.80 (# 1605:25 Double Ambig)
&rst
ixpk= 1605, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 329,1874,
igr2= 339, 340,1863,1864,
&end
#
# 0 AMB 25-2:1607 0 AMB 25-1:1607 3.50 (# 1607:25 Double Ambig)
&rst
ixpk= 1607, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 335, 336, 337,1850,1851,
igr2= 339, 340,1863,1864,
&end
#
# 121 GLU HN 121 GLU HB- 3.50 (# 1610:25 Unique 2.12, 2.98 A)
&rst
ixpk= 1610, nxpk= 25, iat=1859, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1863,1864,
&end
#
# 4 GLU HN 4 GLU HB- 3.50 (# 1611:25 Unique 2.48, 3.37 A)
&rst
ixpk= 1611, nxpk= 25, iat= 50, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 54, 55,
&end
#
# 121 GLU HA 121 GLU HB- 2.80 (# 1612:25 Unique 2.41, 2.77 A)
&rst
ixpk= 1612, nxpk= 25, iat=1861, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1863,1864,
&end
#
# 0 AMB 25-2:1615 0 AMB 25-1:1615 5.50 (# 1615:25 Double Ambig)
&rst
ixpk= 1615, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.88, r4=11.63,
igr1= 232, 233, 234, 236, 237, 238, 167, 168, 167, 168,
igr2= 213, 214, 213, 214, 213, 214,
&end
#
# 113 PRO HB- 113 PRO HG+ 4.50 (# 1616:25 Unique 2.36, 2.63 A)
&rst
ixpk= 1616, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1747,1748,
igr2=1744,1745,
&end
#
# 113 PRO HD- 113 PRO HG+ 4.50 (# 1617:25 Unique 2.29, 2.61 A)
&rst
ixpk= 1617, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1741,1742,
igr2=1744,1745,
&end
#
# 0 AMB 25-2:1619 0 AMB 25-1:1619 2.80 (# 1619:25 Double Ambig)
&rst
ixpk= 1619, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2234, 419,
igr2=2231,2232, 421, 422,
&end
#
# 0 AMB 25-2:1620 0 AMB 25-1:1620 3.50 (# 1620:25 Double Ambig)
&rst
ixpk= 1620, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1= 550, 551, 902, 903, 902, 903, 306, 307, 306, 307,
igr2= 553, 554, 553, 554, 553, 554, 553, 554,
&end
#
# 0 AMB 25-2:1621 0 AMB 25-1:1621 3.50 (# 1621:25 Double Ambig)
&rst
ixpk= 1621, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1= 592, 593,2225,2226,1156,1157, 410, 411, 410, 411,
igr2= 598, 599,2231,2232,1162,1163, 421, 422,
&end
#
# 113 PRO HD+ 113 PRO HG+ 3.50 (# 1622:25 Unique 2.29, 2.61 A)
&rst
ixpk= 1622, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1741,1742,
igr2=1744,1745,
&end
#
# 59 PRO HD+ 24 ALA MB 5.50 (# 1623:25 Unique 2.31, 3.99 A)
&rst
ixpk= 1623, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 899, 900,
igr2= 352, 353, 354,
&end
#
# 0 AMB 25-2:1624 24 ALA MB 4.50 (# 1624:25 Single Ambig)
&rst
ixpk= 1624, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 556, 557, 306, 307,
igr2= 352, 353, 354,
&end
#
# 21 GLU HA 24 ALA MB 4.50 (# 1625:25 Unique 2.59, 3.93 A)
&rst
ixpk= 1625, nxpk= 25, iat= 301, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 352, 353, 354,
&end
#
# 145 PRO HD- 145 PRO HB- 3.50 (# 1626:25 Unique 2.66, 3.67 A)
&rst
ixpk= 1626, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2225,2226,
igr2=2231,2232,
&end
#
# 40 VAL MGX 24 ALA MB 3.50 (# 1627:25 Unique 2.33, 4.83 A)
&rst
ixpk= 1627, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 352, 353, 354,
&end
#
# 24 ALA HA 24 ALA MB 2.80 (# 1628:25 Unique 2.43, 2.66 A)
&rst
ixpk= 1628, nxpk= 25, iat= 350, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 352, 353, 354,
&end
#
# 60 TRP HD1 24 ALA MB 3.50 (# 1629:25 Unique 3.08, 5.49 A)
&rst
ixpk= 1629, nxpk= 25, iat= 920, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 352, 353, 354,
&end
#
# 0 AMB 25-2:1630 24 ALA MB 3.50 (# 1630:25 Single Ambig)
&rst
ixpk= 1630, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 358, 382,
igr2= 352, 353, 354,
&end
#
# 0 AMB 25-2:1631 24 ALA MB 5.50 (# 1631:25 Single Ambig)
&rst
ixpk= 1631, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 902, 903, 550, 551,
igr2= 352, 353, 354,
&end
#
# 0 AMB 25-2:1632 24 ALA MB 5.50 (# 1632:25 Single Ambig)
&rst
ixpk= 1632, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 888, 550, 551,
igr2= 352, 353, 354,
&end
#
# 24 ALA HN 24 ALA MB 3.50 (# 1633:25 Unique 2.43, 2.87 A)
&rst
ixpk= 1633, nxpk= 25, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 352, 353, 354,
&end
#
# 0 AMB 25-2:1634 24 ALA MB 4.50 (# 1634:25 Single Ambig)
&rst
ixpk= 1634, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 360, 316,
igr2= 352, 353, 354,
&end
#
# 39 PRO HA 0 AMB 25-1:1635 5.50 (# 1635:25 Single Ambig)
&rst
ixpk= 1635, nxpk= 25, iat= 601, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 553, 554, 553, 554,
&end
#
# 0 AMB 25-2:1636 24 ALA MB 3.50 (# 1636:25 Single Ambig)
&rst
ixpk= 1636, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 287, 295, 912,
igr2= 352, 353, 354,
&end
#
# 0 AMB 25-2:1637 0 AMB 25-1:1637 2.80 (# 1637:25 Double Ambig)
&rst
ixpk= 1637, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 209, 226,
igr2= 213, 214, 213, 214, 213, 214,
&end
#
# 113 PRO HB+ 113 PRO HG+ 4.50 (# 1638:25 Unique 2.36, 2.63 A)
&rst
ixpk= 1638, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1747,1748,
igr2=1744,1745,
&end
#
# 0 AMB 25-2:1639 0 AMB 25-1:1639 2.80 (# 1639:25 Double Ambig)
&rst
ixpk= 1639, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 556, 557, 556, 557, 306, 307,
igr2= 553, 554, 553, 554, 553, 554,
&end
#
# 76 LEU HN 75 PRO HB- 3.50 (# 1641:25 Unique 2.84, 3.41 A)
&rst
ixpk= 1641, nxpk= 25, iat=1169, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1162,1163,
&end
#
# 102 VAL MGX 0 AMB 25-1:1642 4.50 (# 1642:25 Single Ambig)
&rst
ixpk= 1642, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1582,1583,1584,1586,1587,1588,
igr2= 213, 214, 213, 214,
&end
#
# 36 PRO HA 0 AMB 25-1:1643 4.50 (# 1643:25 Single Ambig)
&rst
ixpk= 1643, nxpk= 25, iat= 559, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 553, 554, 553, 554,
&end
#
# 17 GLN HN 16 VAL HB 4.50 (# 1644:25 Unique 2.62, 2.72 A)
&rst
ixpk= 1644, nxpk= 25, iat= 242, 230, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:1645 0 AMB 25-1:1645 4.50 (# 1645:25 Double Ambig)
&rst
ixpk= 1645, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 434, 605,
igr2= 421, 422, 598, 599,
&end
#
# 0 AMB 25-2:1646 0 AMB 25-1:1646 2.80 (# 1646:25 Double Ambig)
&rst
ixpk= 1646, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1= 648, 649, 650, 652, 653, 654, 232, 233, 234, 236,
237, 238,2214,2215,2216,2218,2219,2220,
igr2= 230,2231,2232,
&end
#
# 0 AMB 25-2:1647 0 AMB 25-1:1647 3.50 (# 1647:25 Double Ambig)
&rst
ixpk= 1647, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 550, 551, 550, 551,
igr2= 553, 554, 553, 554,
&end
#
# 15 GLN HA 0 AMB 25-1:1648 2.80 (# 1648:25 Single Ambig)
&rst
ixpk= 1648, nxpk= 25, iat= 211, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 213, 214, 213, 214,
&end
#
# 0 AMB 25-2:1649 16 VAL HB 3.50 (# 1649:25 Single Ambig)
&rst
ixpk= 1649, nxpk= 25, iat= -1, 230, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 232, 233, 234, 236, 237, 238, 167, 168,
&end
#
# 39 PRO HA 39 PRO HB- 2.80 (# 1651:25 Unique 2.29, 2.53 A)
&rst
ixpk= 1651, nxpk= 25, iat= 601, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 598, 599,
&end
#
# 127 THR HN 126 LEU HB+ 5.50 (# 1652:25 Unique 2.81, 3.49 A)
&rst
ixpk= 1652, nxpk= 25, iat=1956, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1941,1942,
&end
#
# 13 LYS HA 16 VAL HB 5.50 (# 1654:25 Unique 2.30, 3.00 A)
&rst
ixpk= 1654, nxpk= 25, iat= 179, 230, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:1655 0 AMB 25-1:1655 3.50 (# 1655:25 Double Ambig)
&rst
ixpk= 1655, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2421,2397,
igr2=2423,2424,2399,2400,
&end
#
# 126 LEU HA 126 LEU HB+ 4.50 (# 1656:25 Unique 2.45, 2.78 A)
&rst
ixpk= 1656, nxpk= 25, iat=1939, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1941,1942,
&end
#
# 82 LYS HN 82 LYS HB+ 5.50 (# 1659:25 Unique 2.49, 3.19 A)
&rst
ixpk= 1659, nxpk= 25, iat=1276, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1280,1281,
&end
#
# 126 LEU HN 126 LEU HB+ 5.50 (# 1660:25 Unique 2.26, 2.63 A)
&rst
ixpk= 1660, nxpk= 25, iat=1937, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1941,1942,
&end
#
# 82 LYS HA 82 LYS HB+ 5.50 (# 1662:25 Unique 2.38, 2.74 A)
&rst
ixpk= 1662, nxpk= 25, iat=1278, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1280,1281,
&end
#
# 0 AMB 25-2:1663 0 AMB 25-1:1663 4.50 (# 1663:25 Double Ambig)
&rst
ixpk= 1663, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1458,1459,1460,1492,1493,1494,
igr2=1280,1281,1280,1281,
&end
#
# 0 AMB 25-2:1667 28 MET ME 5.50 (# 1667:25 Single Ambig)
&rst
ixpk= 1667, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 417, 406,
igr2= 428, 429, 430,
&end
#
# 0 AMB 25-2:1673 0 AMB 25-1:1673 2.80 (# 1673:25 Double Ambig)
&rst
ixpk= 1673, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1219,1220,1219,1220,1219,1220,
igr2=1216,1217,1216,1217,1216,1217,
&end
#
# 79 VAL HN 0 AMB 25-1:1675 4.50 (# 1675:25 Single Ambig)
&rst
ixpk= 1675, nxpk= 25, iat=1234, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1216,1217,1216,1217,
&end
#
# 78 LYS HA 0 AMB 25-1:1676 2.80 (# 1676:25 Single Ambig)
&rst
ixpk= 1676, nxpk= 25, iat=1214, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1216,1217,1216,1217,
&end
#
# 78 LYS HN 0 AMB 25-1:1677 3.50 (# 1677:25 Single Ambig)
&rst
ixpk= 1677, nxpk= 25, iat=1212, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1216,1217,1216,1217,
&end
#
# 0 AMB 25-2:1679 0 AMB 25-1:1679 3.50 (# 1679:25 Double Ambig)
&rst
ixpk= 1679, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 384, 419,
igr2= 389, 390, 389, 390, 365, 366,
&end
#
# 0 AMB 25-2:1681 0 AMB 25-1:1681 2.80 (# 1681:25 Double Ambig)
&rst
ixpk= 1681, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 406, 382,
igr2= 365, 366, 389, 390, 389, 390, 389, 390,
&end
#
# 135 LEU HN 0 AMB 25-1:1682 5.50 (# 1682:25 Single Ambig)
&rst
ixpk= 1682, nxpk= 25, iat=2075, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=2079,2080,2079,2080,
&end
#
# 0 AMB 25-2:1685 0 AMB 25-1:1685 5.50 (# 1685:25 Double Ambig)
&rst
ixpk= 1685, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1414, 744, 748,
igr2=1367,1383,1384,
&end
#
# 0 AMB 25-2:1686 0 AMB 25-1:1686 5.50 (# 1686:25 Double Ambig)
&rst
ixpk= 1686, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1397,1398,1380,1381,
igr2=1367,1383,1384,
&end
#
# 87 LEU HA 0 AMB 25-1:1689 4.50 (# 1689:25 Single Ambig)
&rst
ixpk= 1689, nxpk= 25, iat=1362, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1367,1383,1384,
&end
#
# 0 AMB 25-2:1690 0 AMB 25-1:1690 4.50 (# 1690:25 Double Ambig)
&rst
ixpk= 1690, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 463,1937, 482,
igr2= 467, 468,1941,1942, 467, 468,
&end
#
# 87 LEU HN 87 LEU HG 3.50 (# 1693:25 Unique 2.08, 2.97 A)
&rst
ixpk= 1693, nxpk= 25, iat=1360,1367, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:1694 0 AMB 25-1:1694 2.80 (# 1694:25 Double Ambig)
&rst
ixpk= 1694, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1=1369,1370,1371,1373,1374,1375,1308,1309,1308,1309,
1240,1241,1242,1244,1245,1246,
igr2=1367,1195,1196,1195,1196,1222,1223,1222,1223,
&end
#
# 106 LEU MDY 0 AMB 25-1:1696 5.50 (# 1696:25 Single Ambig)
&rst
ixpk= 1696, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1650,1651,1652,1654,1655,1656,
igr2=1195,1196,1195,1196,
&end
#
# 113 PRO HB+ 113 PRO HG- 5.50 (# 1698:25 Unique 2.36, 2.63 A)
&rst
ixpk= 1698, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1747,1748,
igr2=1744,1745,
&end
#
# 113 PRO HB- 113 PRO HG- 5.50 (# 1699:25 Unique 2.36, 2.63 A)
&rst
ixpk= 1699, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1747,1748,
igr2=1744,1745,
&end
#
# 113 PRO HD- 113 PRO HG- 3.50 (# 1700:25 Unique 2.29, 2.61 A)
&rst
ixpk= 1700, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1741,1742,
igr2=1744,1745,
&end
#
# 78 LYS HA 0 AMB 25-1:1701 4.50 (# 1701:25 Single Ambig)
&rst
ixpk= 1701, nxpk= 25, iat=1214, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1222,1223,1222,1223,
&end
#
# 0 AMB 25-2:1702 0 AMB 25-1:1702 3.50 (# 1702:25 Double Ambig)
&rst
ixpk= 1702, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1212,1188,
igr2=1195,1196,1195,1196,1195,1196,
&end
#
# 0 AMB 25-2:1703 0 AMB 25-1:1703 2.80 (# 1703:25 Double Ambig)
&rst
ixpk= 1703, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1=1198,1199,1198,1199,1198,1199,1225,1226,1225,1226,
1225,1226,
igr2=1195,1196,1195,1196,1195,1196,1222,1223,1222,1223,
1222,1223,
&end
#
# 79 VAL HN 0 AMB 25-1:1704 5.50 (# 1704:25 Single Ambig)
&rst
ixpk= 1704, nxpk= 25, iat=1234, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1222,1223,1222,1223,
&end
#
# 113 PRO HD+ 113 PRO HG- 4.50 (# 1705:25 Unique 2.29, 2.61 A)
&rst
ixpk= 1705, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1741,1742,
igr2=1744,1745,
&end
#
# 45 PHE HN 131 ALA MB 5.50 (# 1706:25 Unique 5.45, 6.35 A)
&rst
ixpk= 1706, nxpk= 25, iat= 681, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2009,2010,2011,
&end
#
# 55 CYS HN 131 ALA MB 4.50 (# 1707:25 Unique 3.41, 4.97 A)
&rst
ixpk= 1707, nxpk= 25, iat= 838, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2009,2010,2011,
&end
#
# 135 LEU MDX 131 ALA MB 5.50 (# 1708:25 Unique 2.80, 6.28 A)
&rst
ixpk= 1708, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=2084,2085,2086,2088,2089,2090,
igr2=2009,2010,2011,
&end
#
# 0 AMB 25-2:1710 0 AMB 25-1:1710 2.80 (# 1710:25 Double Ambig)
&rst
ixpk= 1710, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1= 522, 523, 524, 526, 527, 528, 522, 523, 524, 526,
527, 528,1178,1179,1180,1182,1183,1184,1178,1179,
1180,1182,1183,1184, 472, 473, 474, 476, 477, 478,
igr2= 517, 518, 517, 518, 517, 518,1173,1174,1173,1174,
467, 468,
&end
#
# 76 LEU HA 76 LEU HB+ 3.50 (# 1711:25 Unique 2.35, 2.73 A)
&rst
ixpk= 1711, nxpk= 25, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1173,1174,
&end
#
# 43 SER HN 131 ALA MB 5.50 (# 1712:25 Unique 5.03, 6.15 A)
&rst
ixpk= 1712, nxpk= 25, iat= 658, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2009,2010,2011,
&end
#
# 131 ALA HN 131 ALA MB 3.50 (# 1713:25 Unique 2.19, 2.88 A)
&rst
ixpk= 1713, nxpk= 25, iat=2005, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=2009,2010,2011,
&end
#
# 130 CYS HN 131 ALA MB 5.50 (# 1714:25 Unique 4.54, 5.38 A)
&rst
ixpk= 1714, nxpk= 25, iat=1994, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2009,2010,2011,
&end
#
# 0 AMB 25-2:1715 0 AMB 25-1:1715 4.50 (# 1715:25 Double Ambig)
&rst
ixpk= 1715, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 52, 495,
igr2=1173,1174, 467, 468, 517, 518,
&end
#
# 127 THR MG2 131 ALA MB 5.50 (# 1716:25 Unique 4.15, 6.33 A)
&rst
ixpk= 1716, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1962,1963,1964,
igr2=2009,2010,2011,
&end
#
# 0 AMB 25-2:1717 131 ALA MB 5.50 (# 1717:25 Single Ambig)
&rst
ixpk= 1717, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 662, 663, 662, 663,
igr2=2009,2010,2011,
&end
#
# 131 ALA HA 131 ALA MB 2.80 (# 1718:25 Unique 2.34, 2.66 A)
&rst
ixpk= 1718, nxpk= 25, iat=2007, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=2009,2010,2011,
&end
#
# 76 LEU HN 76 LEU HB+ 3.50 (# 1719:25 Unique 2.29, 2.55 A)
&rst
ixpk= 1719, nxpk= 25, iat=1169, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1173,1174,
&end
#
# 134 ILE MD1 131 ALA MB 4.50 (# 1720:25 Unique 3.64, 6.43 A)
&rst
ixpk= 1720, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=2069,2070,2071,
igr2=2009,2010,2011,
&end
#
# 55 CYS HB- 131 ALA MB 5.50 (# 1721:25 Unique 2.14, 4.49 A)
&rst
ixpk= 1721, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 842, 843,
igr2=2009,2010,2011,
&end
#
# 128 ASP HA 131 ALA MB 2.80 (# 1722:25 Unique 2.59, 3.70 A)
&rst
ixpk= 1722, nxpk= 25, iat=1972, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=2009,2010,2011,
&end
#
# 55 CYS HB+ 131 ALA MB 5.50 (# 1724:25 Unique 2.14, 4.49 A)
&rst
ixpk= 1724, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 842, 843,
igr2=2009,2010,2011,
&end
#
# 54 GLY HA- 131 ALA MB 5.50 (# 1725:25 Unique 3.30, 5.51 A)
&rst
ixpk= 1725, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 833, 834,
igr2=2009,2010,2011,
&end
#
# 132 ARG HN 131 ALA MB 4.50 (# 1726:25 Unique 2.36, 3.27 A)
&rst
ixpk= 1726, nxpk= 25, iat=2015, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2009,2010,2011,
&end
#
# 132 ARG HN 132 ARG HG+ 5.50 (# 1728:25 Unique 1.92, 3.27 A)
&rst
ixpk= 1728, nxpk= 25, iat=2015, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2022,2023,
&end
#
# 0 AMB 25-2:1729 0 AMB 25-1:1729 5.50 (# 1729:25 Double Ambig)
&rst
ixpk= 1729, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1188, 35,
igr2=1173,1174,1173,1174,
&end
#
# 83 ILE HN 82 LYS HD- 5.50 (# 1736:25 Unique 3.83, 5.32 A)
&rst
ixpk= 1736, nxpk= 25, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1286,1287,
&end
#
# 85 LEU MDY 83 ILE HB 5.50 (# 1737:25 Unique 3.40, 5.12 A)
&rst
ixpk= 1737, nxpk= 25, iat= -1,1302, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1333,1334,1335,1337,1338,1339,
&end
#
# 94 PHE HN 83 ILE HB 5.50 (# 1738:25 Unique 3.40, 3.64 A)
&rst
ixpk= 1738, nxpk= 25, iat=1466,1302, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:1739 82 LYS HD- 3.50 (# 1739:25 Single Ambig)
&rst
ixpk= 1739, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1492,1493,1494,1458,1459,1460,
igr2=1286,1287,
&end
#
# 0 AMB 25-2:1740 0 AMB 25-1:1740 2.80 (# 1740:25 Double Ambig)
&rst
ixpk= 1740, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1=1308,1309, 78, 79, 80,
igr2=1302,1173,1174,
&end
#
# 83 ILE MG2 83 ILE HB 2.80 (# 1741:25 Unique 2.39, 2.66 A)
&rst
ixpk= 1741, nxpk= 25, iat= -1,1302, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1304,1305,1306,
&end
#
# 83 ILE HG1- 83 ILE HB 2.80 (# 1742:25 Unique 2.40, 2.47 A)
&rst
ixpk= 1742, nxpk= 25, iat= -1,1302, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1308,1309,
&end
#
# 0 AMB 25-2:1743 83 ILE HB 3.50 (# 1743:25 Single Ambig)
&rst
ixpk= 1743, nxpk= 25, iat= -1,1302, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1=1650,1651,1652,1654,1655,1656,1311,1312,1313,1333,
1334,1335,1337,1338,1339,
&end
#
# 95 THR HA 82 LYS HD- 5.50 (# 1744:25 Unique 2.70, 4.91 A)
&rst
ixpk= 1744, nxpk= 25, iat=1488, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1286,1287,
&end
#
# 83 ILE HA 83 ILE HB 3.50 (# 1745:25 Unique 3.04, 3.05 A)
&rst
ixpk= 1745, nxpk= 25, iat=1300,1302, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 82 LYS HA 83 ILE HB 5.50 (# 1746:25 Unique 4.36, 4.51 A)
&rst
ixpk= 1746, nxpk= 25, iat=1278,1302, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 84 GLY HN 83 ILE HB 4.50 (# 1747:25 Unique 4.15, 4.27 A)
&rst
ixpk= 1747, nxpk= 25, iat=1317,1302, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 124 GLN HA 124 GLN HB- 5.50 (# 1748:25 Unique 2.25, 2.74 A)
&rst
ixpk= 1748, nxpk= 25, iat=1898, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1900,1901,
&end
#
# 83 ILE HN 83 ILE HB 3.50 (# 1749:25 Unique 2.47, 2.61 A)
&rst
ixpk= 1749, nxpk= 25, iat=1298,1302, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:1750 0 AMB 25-1:1750 3.50 (# 1750:25 Double Ambig)
&rst
ixpk= 1750, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
igr1=2397,2421,2274,2445,
igr2=2402,2403,2402,2403,2426,2427,2426,2427,2303,2304,
2303,2304,2426,2427,2426,2427,
&end
#
# 82 LYS HA 82 LYS HD- 5.50 (# 1751:25 Unique 2.34, 4.38 A)
&rst
ixpk= 1751, nxpk= 25, iat=1278, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1286,1287,
&end
#
# 0 AMB 25-2:1752 83 ILE HB 5.50 (# 1752:25 Single Ambig)
&rst
ixpk= 1752, nxpk= 25, iat= -1,1302, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1488,1643,
&end
#
# 0 AMB 25-2:1753 0 AMB 25-1:1753 3.50 (# 1753:25 Double Ambig)
&rst
ixpk= 1753, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2349,2330,2368,
igr2=2334,2335,2334,2335,2334,2335,
&end
#
# 106 LEU MDX 83 ILE HB 4.50 (# 1754:25 Unique 2.39, 4.14 A)
&rst
ixpk= 1754, nxpk= 25, iat= -1,1302, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1650,1651,1652,1654,1655,1656,
&end
#
# 135 LEU MDY 135 LEU HG 4.50 (# 1755:25 Unique 2.41, 2.68 A)
&rst
ixpk= 1755, nxpk= 25, iat= -1,2082, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2084,2085,2086,2088,2089,2090,
&end
#
# 0 AMB 25-2:1756 0 AMB 25-1:1756 5.50 (# 1756:25 Double Ambig)
&rst
ixpk= 1756, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.00, r4=12.75,
igr1=1861, 592, 593,2447,2448,2447,2448,2447,2448,
igr2=1900,1901,1920,1921,1920,1921,2426,2427,2426,2427,
2426,2427,
&end
#
# 0 AMB 25-2:1757 0 AMB 25-1:1757 4.50 (# 1757:25 Double Ambig)
&rst
ixpk= 1757, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1896,2296,2272,
igr2=1900,1901,2303,2304,2303,2304,
&end
#
# 0 AMB 25-2:1758 0 AMB 25-1:1758 5.50 (# 1758:25 Double Ambig)
&rst
ixpk= 1758, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1650,1651,1652,1654,1655,1656,1022,1023,1024,
igr2=1645,1646,1645,1646,
&end
#
# 0 AMB 25-2:1760 0 AMB 25-1:1760 5.50 (# 1760:25 Double Ambig)
&rst
ixpk= 1760, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=2075, 631, 636,
igr2=2082,1900,1901,
&end
#
# 0 AMB 25-2:1761 0 AMB 25-1:1761 5.50 (# 1761:25 Double Ambig)
&rst
ixpk= 1761, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1=2419,2454,
igr2=2426,2427,2426,2427,2402,2403,2402,2403,2426,2427,
&end
#
# 0 AMB 25-2:1765 0 AMB 25-1:1765 5.50 (# 1765:25 Double Ambig)
&rst
ixpk= 1765, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 689, 697,1908,1909,
igr2=2082,1900,1901,
&end
#
# 0 AMB 25-2:1766 0 AMB 25-1:1766 2.80 (# 1766:25 Double Ambig)
&rst
ixpk= 1766, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1506,1507,1508,1510,1511,1512,2069,2070,2071,
igr2=1648,2082,
&end
#
# 135 LEU MDX 135 LEU HG 2.80 (# 1767:25 Unique 2.41, 2.68 A)
&rst
ixpk= 1767, nxpk= 25, iat= -1,2082, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2084,2085,2086,2088,2089,2090,
&end
#
# 73 LEU HN 73 LEU HB+ 5.50 (# 1768:25 Unique 2.30, 3.07 A)
&rst
ixpk= 1768, nxpk= 25, iat=1112, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1116,1117,
&end
#
# 41 TYR HA 42 VAL HB 5.50 (# 1769:25 Unique 4.07, 4.51 A)
&rst
ixpk= 1769, nxpk= 25, iat= 623, 646, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 PHE HE 135 LEU HG 5.50 (# 1770:25 Unique 2.50, 5.91 A)
&rst
ixpk= 1770, nxpk= 25, iat= -1,2082, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 691, 695,
&end
#
# 106 LEU MDY 106 LEU HG 3.50 (# 1771:25 Unique 2.41, 2.67 A)
&rst
ixpk= 1771, nxpk= 25, iat= -1,1648, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1650,1651,1652,1654,1655,1656,
&end
#
# 0 AMB 25-2:1772 42 VAL HB 5.50 (# 1772:25 Single Ambig)
&rst
ixpk= 1772, nxpk= 25, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 190, 191, 190, 191, 673, 674,
&end
#
# 56 VAL MGY 42 VAL HB 5.50 (# 1773:25 Unique 2.37, 6.32 A)
&rst
ixpk= 1773, nxpk= 25, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 855, 856, 857, 859, 860, 861,
&end
#
# 73 LEU HA 73 LEU HB+ 4.50 (# 1774:25 Unique 2.47, 2.79 A)
&rst
ixpk= 1774, nxpk= 25, iat=1114, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1116,1117,
&end
#
# 106 LEU MDX 106 LEU HG 3.50 (# 1775:25 Unique 2.41, 2.67 A)
&rst
ixpk= 1775, nxpk= 25, iat= -1,1648, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1650,1651,1652,1654,1655,1656,
&end
#
# 0 AMB 25-2:1776 42 VAL HB 2.80 (# 1776:25 Single Ambig)
&rst
ixpk= 1776, nxpk= 25, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 4.35, r4= 5.10,
igr1= 184, 185, 648, 649, 650, 652, 653, 654, 232, 233,
234, 236, 237, 238,
&end
#
# 42 VAL MGX 42 VAL HB 2.80 (# 1777:25 Unique 2.36, 2.66 A)
&rst
ixpk= 1777, nxpk= 25, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 648, 649, 650, 652, 653, 654,
&end
#
# 0 AMB 25-2:1778 0 AMB 25-1:1778 5.50 (# 1778:25 Double Ambig)
&rst
ixpk= 1778, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1131,1671,1298,
igr2=1116,1117,1645,1646,1645,1646,
&end
#
# 0 AMB 25-2:1779 42 VAL HB 4.50 (# 1779:25 Single Ambig)
&rst
ixpk= 1779, nxpk= 25, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 658, 242,
&end
#
# 0 AMB 25-2:1780 0 AMB 25-1:1780 4.50 (# 1780:25 Double Ambig)
&rst
ixpk= 1780, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1650,1651,1652,1654,1655,1656,1022,1023,1024,
igr2=1645,1646,1645,1646,
&end
#
# 0 AMB 25-2:1781 42 VAL HB 3.50 (# 1781:25 Single Ambig)
&rst
ixpk= 1781, nxpk= 25, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 246, 247, 246, 247, 249, 250,
&end
#
# 42 VAL HN 42 VAL HB 3.50 (# 1782:25 Unique 2.82, 2.87 A)
&rst
ixpk= 1782, nxpk= 25, iat= 642, 646, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 42 VAL HA 42 VAL HB 5.50 (# 1784:25 Unique 2.35, 2.94 A)
&rst
ixpk= 1784, nxpk= 25, iat= 644, 646, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 TYR HB+ 124 GLN HB- 5.50 (# 1785:25 Unique 3.85, 5.90 A)
&rst
ixpk= 1785, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 625, 626,
igr2=1900,1901,
&end
#
# 0 AMB 25-2:1786 0 AMB 25-1:1786 2.80 (# 1786:25 Double Ambig)
&rst
ixpk= 1786, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1121,1122,1123,1125,1126,1127,1121,1122,1123,1125,
1126,1127,
igr2=1116,1117,1116,1117,
&end
#
# 66 ILE HN 66 ILE HB 5.50 (# 1787:25 Unique 2.59, 2.74 A)
&rst
ixpk= 1787, nxpk= 25, iat=1009,1013, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:1788 66 ILE HB 4.50 (# 1788:25 Single Ambig)
&rst
ixpk= 1788, nxpk= 25, iat= -1,1013, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1022,1023,1024,1650,1651,1652,1654,1655,1656,
&end
#
# 99 LEU MDX 99 LEU HB+ 5.50 (# 1789:25 Unique 2.38, 3.32 A)
&rst
ixpk= 1789, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1547,1548,1549,1551,1552,1553,
igr2=1542,1543,
&end
#
# 103 SER HN 99 LEU HB+ 5.50 (# 1790:25 Unique 2.21, 3.97 A)
&rst
ixpk= 1790, nxpk= 25, iat=1592, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1542,1543,
&end
#
# 82 LYS HN 82 LYS HD+ 5.50 (# 1791:25 Unique 4.47, 5.09 A)
&rst
ixpk= 1791, nxpk= 25, iat=1276, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1286,1287,
&end
#
# 0 AMB 25-2:1792 62 LEU HG 4.50 (# 1792:25 Single Ambig)
&rst
ixpk= 1792, nxpk= 25, iat= -1, 960, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1723,1724,1725, 878, 879, 880,1946,1947,1948,1950,
1951,1952,
&end
#
# 95 THR HA 82 LYS HD+ 5.50 (# 1793:25 Unique 2.70, 4.91 A)
&rst
ixpk= 1793, nxpk= 25, iat=1488, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1286,1287,
&end
#
# 110 LEU HA 0 AMB 25-1:1794 5.50 (# 1794:25 Single Ambig)
&rst
ixpk= 1794, nxpk= 25, iat=1695, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1697,1698,1697,1698,
&end
#
# 102 VAL MGX 99 LEU HB+ 5.50 (# 1795:25 Unique 2.76, 4.79 A)
&rst
ixpk= 1795, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1582,1583,1584,1586,1587,1588,
igr2=1542,1543,
&end
#
# 0 AMB 25-2:1796 62 LEU HG 2.80 (# 1796:25 Single Ambig)
&rst
ixpk= 1796, nxpk= 25, iat= -1, 960, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 0 AMB 25-2:1797 0 AMB 25-1:1797 2.80 (# 1797:25 Double Ambig)
&rst
ixpk= 1797, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.15, r4= 6.90,
igr1=1015,1016,1017,2112,2114,2115,2116,2118,2119,2120,
2114,2115,2116,2118,2119,2120,
igr2=1013,2109,2110,2109,2110,2109,2110,
&end
#
# 99 LEU HN 99 LEU HB+ 5.50 (# 1798:25 Unique 2.47, 2.68 A)
&rst
ixpk= 1798, nxpk= 25, iat=1538, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1542,1543,
&end
#
# 137 LEU HA 137 LEU HB+ 5.50 (# 1799:25 Unique 2.15, 2.66 A)
&rst
ixpk= 1799, nxpk= 25, iat=2107, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2109,2110,
&end
#
# 0 AMB 25-2:1800 0 AMB 25-1:1800 3.50 (# 1800:25 Double Ambig)
&rst
ixpk= 1800, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1289,1290,1289,1290,
igr2=1286,1287,1286,1287,
&end
#
# 0 AMB 25-2:1801 0 AMB 25-1:1801 4.50 (# 1801:25 Double Ambig)
&rst
ixpk= 1801, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 955,1278,
igr2= 960,1286,1287,
&end
#
# 99 LEU MDY 99 LEU HB+ 4.50 (# 1803:25 Unique 2.38, 3.32 A)
&rst
ixpk= 1803, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1547,1548,1549,1551,1552,1553,
igr2=1542,1543,
&end
#
# 93 THR MG2 82 LYS HD+ 3.50 (# 1804:25 Unique 2.89, 4.34 A)
&rst
ixpk= 1804, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1458,1459,1460,
igr2=1286,1287,
&end
#
# 137 LEU HN 137 LEU HB+ 5.50 (# 1805:25 Unique 2.21, 3.35 A)
&rst
ixpk= 1805, nxpk= 25, iat=2105, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2109,2110,
&end
#
# 138 PRO HD- 137 LEU HB+ 5.50 (# 1806:25 Unique 2.16, 4.56 A)
&rst
ixpk= 1806, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2125,2126,
igr2=2109,2110,
&end
#
# 76 LEU HA 76 LEU HG 3.50 (# 1807:25 Unique 2.44, 3.13 A)
&rst
ixpk= 1807, nxpk= 25, iat=1171,1176, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 ILE HN 82 LYS HG+ 5.50 (# 1808:25 Unique 3.83, 4.51 A)
&rst
ixpk= 1808, nxpk= 25, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1283,1284,
&end
#
# 104 GLN HE2+ 76 LEU HG 5.50 (# 1809:25 Unique 2.44, 4.27 A)
&rst
ixpk= 1809, nxpk= 25, iat= -1,1176, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1615,1616,
&end
#
# 0 AMB 25-2:1810 76 LEU HG 2.80 (# 1810:25 Single Ambig)
&rst
ixpk= 1810, nxpk= 25, iat= -1,1176, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
&end
#
# 0 AMB 25-2:1811 0 AMB 25-1:1811 4.50 (# 1811:25 Double Ambig)
&rst
ixpk= 1811, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1458,1459,1460,1492,1493,1494,
igr2=1283,1284,1283,1284,
&end
#
# 82 LYS HN 82 LYS HB- 5.50 (# 1812:25 Unique 2.49, 3.19 A)
&rst
ixpk= 1812, nxpk= 25, iat=1276, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1280,1281,
&end
#
# 95 THR HA 82 LYS HB- 5.50 (# 1813:25 Unique 2.33, 4.26 A)
&rst
ixpk= 1813, nxpk= 25, iat=1488, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1280,1281,
&end
#
# 0 AMB 25-2:1814 0 AMB 25-1:1814 5.50 (# 1814:25 Double Ambig)
&rst
ixpk= 1814, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1212,1188,
igr2=1192,1193,1192,1193,
&end
#
# 93 THR MG2 82 LYS HB- 4.50 (# 1815:25 Unique 2.52, 3.62 A)
&rst
ixpk= 1815, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1458,1459,1460,
igr2=1280,1281,
&end
#
# 0 AMB 25-2:1816 0 AMB 25-1:1816 4.50 (# 1816:25 Double Ambig)
&rst
ixpk= 1816, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.00, r4= 9.75,
igr1=1225,1226,1225,1226,1289,1290,1289,1290,
igr2=1219,1220,1219,1220,1283,1284,1283,1284,
&end
#
# 82 LYS HA 82 LYS HB- 5.50 (# 1817:25 Unique 2.38, 2.74 A)
&rst
ixpk= 1817, nxpk= 25, iat=1278, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1280,1281,
&end
#
# 76 LEU HN 76 LEU HG 5.50 (# 1818:25 Unique 4.35, 4.47 A)
&rst
ixpk= 1818, nxpk= 25, iat=1169,1176, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 ARG HN 76 LEU HG 4.50 (# 1819:25 Unique 2.36, 3.18 A)
&rst
ixpk= 1819, nxpk= 25, iat=1188,1176, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 82 LYS HA 82 LYS HG+ 5.50 (# 1820:25 Unique 2.33, 2.83 A)
&rst
ixpk= 1820, nxpk= 25, iat=1278, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1283,1284,
&end
#
# 57 ILE HN 56 VAL HB 4.50 (# 1821:25 Unique 3.95, 4.02 A)
&rst
ixpk= 1821, nxpk= 25, iat= 865, 853, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:1822 56 VAL HB 2.80 (# 1822:25 Single Ambig)
&rst
ixpk= 1822, nxpk= 25, iat= -1, 853, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 648, 649, 650, 652, 653, 654, 232, 233, 234, 236,
237, 238, 999,1000,1001,1003,1004,1005,
&end
#
# 65 VAL MGY 56 VAL HB 4.50 (# 1823:25 Unique 2.74, 4.56 A)
&rst
ixpk= 1823, nxpk= 25, iat= -1, 853, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 999,1000,1001,1003,1004,1005,
&end
#
# 56 VAL HA 56 VAL HB 3.50 (# 1824:25 Unique 2.36, 2.40 A)
&rst
ixpk= 1824, nxpk= 25, iat= 851, 853, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 42 VAL MGX 56 VAL HB 3.50 (# 1825:25 Unique 2.24, 3.57 A)
&rst
ixpk= 1825, nxpk= 25, iat= -1, 853, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 648, 649, 650, 652, 653, 654,
&end
#
# 56 VAL MGY 56 VAL HB 2.80 (# 1826:25 Unique 2.38, 2.66 A)
&rst
ixpk= 1826, nxpk= 25, iat= -1, 853, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 855, 856, 857, 859, 860, 861,
&end
#
# 42 VAL HA 56 VAL HB 5.50 (# 1827:25 Unique 3.33, 3.56 A)
&rst
ixpk= 1827, nxpk= 25, iat= 644, 853, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 56 VAL MGX 56 VAL HB 2.80 (# 1828:25 Unique 2.38, 2.66 A)
&rst
ixpk= 1828, nxpk= 25, iat= -1, 853, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 855, 856, 857, 859, 860, 861,
&end
#
# 56 VAL HN 56 VAL HB 3.50 (# 1829:25 Unique 3.14, 3.29 A)
&rst
ixpk= 1829, nxpk= 25, iat= 849, 853, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 63 SER HN 56 VAL HB 5.50 (# 1830:25 Unique 5.08, 5.28 A)
&rst
ixpk= 1830, nxpk= 25, iat= 972, 853, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 20 PHE HD 56 VAL HB 5.50 (# 1831:25 Unique 4.24, 6.38 A)
&rst
ixpk= 1831, nxpk= 25, iat= -1, 853, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 287, 295,
&end
#
# 83 ILE MG2 0 AMB 25-1:1832 5.50 (# 1832:25 Single Ambig)
&rst
ixpk= 1832, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1304,1305,1306,
igr2=1328,1329,1328,1329,
&end
#
# 0 AMB 25-2:1833 0 AMB 25-1:1833 4.50 (# 1833:25 Double Ambig)
&rst
ixpk= 1833, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1234,1276,
igr2=1219,1220,1283,1284,
&end
#
# 154 PHE HA 0 AMB 25-1:1834 5.50 (# 1834:25 Single Ambig)
&rst
ixpk= 1834, nxpk= 25, iat=2370, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=2334,2335,2353,2354,
&end
#
# 0 AMB 25-2:1835 0 AMB 25-1:1835 5.50 (# 1835:25 Double Ambig)
&rst
ixpk= 1835, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1212,1188,
igr2=1219,1220,1219,1220,
&end
#
# 137 LEU HA 137 LEU HB- 5.50 (# 1836:25 Unique 2.15, 2.66 A)
&rst
ixpk= 1836, nxpk= 25, iat=2107, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2109,2110,
&end
#
# 0 AMB 25-2:1837 0 AMB 25-1:1837 2.80 (# 1837:25 Double Ambig)
&rst
ixpk= 1837, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
igr1=2339,2340,2341,2343,2344,2345,2356,2358,2359,2360,
2362,2363,2364,2358,2359,2360,2362,2363,2364,
igr2=2334,2335,2353,2354,2353,2354,2353,2354,2353,2354,
&end
#
# 0 AMB 25-2:1838 0 AMB 25-1:1838 3.50 (# 1838:25 Double Ambig)
&rst
ixpk= 1838, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2349,2330,2368,
igr2=2353,2354,2334,2335,2353,2354,
&end
#
# 0 AMB 25-2:1839 0 AMB 25-1:1839 2.80 (# 1839:25 Double Ambig)
&rst
ixpk= 1839, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=2351,2332,2322,
igr2=2353,2354,2334,2335,2353,2354,
&end
#
# 78 LYS HA 78 LYS HG+ 4.50 (# 1840:25 Unique 2.18, 3.22 A)
&rst
ixpk= 1840, nxpk= 25, iat=1214, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1219,1220,
&end
#
# 138 PRO HD+ 137 LEU HB- 5.50 (# 1841:25 Unique 2.16, 4.56 A)
&rst
ixpk= 1841, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2125,2126,
igr2=2109,2110,
&end
#
# 0 AMB 25-2:1842 0 AMB 25-1:1842 4.50 (# 1842:25 Double Ambig)
&rst
ixpk= 1842, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1369,1370,1371,1373,1374,1375,1019,1020,1019,1020,
igr2=1328,1329,1328,1329,1328,1329,
&end
#
# 86 GLN HN 0 AMB 25-1:1843 3.50 (# 1843:25 Single Ambig)
&rst
ixpk= 1843, nxpk= 25, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1328,1329,1328,1329,
&end
#
# 85 LEU MDY 0 AMB 25-1:1844 3.50 (# 1844:25 Single Ambig)
&rst
ixpk= 1844, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1333,1334,1335,1337,1338,1339,
igr2=1328,1329,1328,1329,
&end
#
# 0 AMB 25-2:1845 0 AMB 25-1:1845 3.50 (# 1845:25 Double Ambig)
&rst
ixpk= 1845, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1333,1334,1335,1337,1338,1339,1650,1651,1652,1654,
1655,1656,
igr2=1328,1329,1328,1329,
&end
#
# 94 PHE HD 0 AMB 25-1:1846 4.50 (# 1846:25 Single Ambig)
&rst
ixpk= 1846, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1474,1482,
igr2=1328,1329,1328,1329,
&end
#
# 0 AMB 25-2:1847 0 AMB 25-1:1847 5.50 (# 1847:25 Double Ambig)
&rst
ixpk= 1847, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1364,1365,1439,1440, 758, 759,
igr2=1328,1329,1328,1329,1328,1329,
&end
#
# 0 AMB 25-2:1848 0 AMB 25-1:1848 5.50 (# 1848:25 Double Ambig)
&rst
ixpk= 1848, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=2296, 50, 84,
igr2=2337, 75, 76,
&end
#
# 87 LEU MDY 0 AMB 25-1:1849 5.50 (# 1849:25 Single Ambig)
&rst
ixpk= 1849, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1369,1370,1371,1373,1374,1375,
igr2=1328,1329,1328,1329,
&end
#
# 0 AMB 25-2:1850 0 AMB 25-1:1850 3.50 (# 1850:25 Double Ambig)
&rst
ixpk= 1850, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1326,1454,
igr2=1328,1329,1328,1329,1328,1329,
&end
#
# 0 AMB 25-2:1851 0 AMB 25-1:1851 3.50 (# 1851:25 Double Ambig)
&rst
ixpk= 1851, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1324,1435,
igr2=1328,1329,1328,1329,
&end
#
# 5 ILE HN 5 ILE HG1- 4.50 (# 1852:25 Unique 2.25, 3.44 A)
&rst
ixpk= 1852, nxpk= 25, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 75, 76,
&end
#
# 0 AMB 25-2:1853 137 LEU HB- 2.80 (# 1853:25 Single Ambig)
&rst
ixpk= 1853, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.82, r4= 5.57,
igr1=2112,2114,2115,2116,2118,2119,2120,2114,2115,2116,
2118,2119,2120,
igr2=2109,2110,
&end
#
# 0 AMB 25-2:1854 0 AMB 25-1:1854 3.50 (# 1854:25 Double Ambig)
&rst
ixpk= 1854, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2332, 67,2351,2322,
igr2=2337, 75, 76,
&end
#
# 138 PRO HD- 137 LEU HB- 5.50 (# 1855:25 Unique 2.16, 4.56 A)
&rst
ixpk= 1855, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2125,2126,
igr2=2109,2110,
&end
#
# 94 PHE HE 0 AMB 25-1:1856 4.50 (# 1856:25 Single Ambig)
&rst
ixpk= 1856, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1476,1480,
igr2=1328,1329,1328,1329,
&end
#
# 0 AMB 25-2:1857 0 AMB 25-1:1857 5.50 (# 1857:25 Double Ambig)
&rst
ixpk= 1857, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
igr1=1022,1023,1024,1650,1651,1652,1654,1655,1656,
igr2=1328,1329,1328,1329,1328,1329,
&end
#
# 0 AMB 25-2:1858 0 AMB 25-1:1858 5.50 (# 1858:25 Double Ambig)
&rst
ixpk= 1858, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1135,1136,2306,2307,2306,2307,
igr2= 75, 76,2337,
&end
#
# 74 TRP HN 0 AMB 25-1:1859 5.50 (# 1859:25 Single Ambig)
&rst
ixpk= 1859, nxpk= 25, iat=1131, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1119, 75, 76,
&end
#
# 0 AMB 25-2:1860 152 LEU HG 4.50 (# 1860:25 Single Ambig)
&rst
ixpk= 1860, nxpk= 25, iat= -1,2337, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2330,2349,
&end
#
# 0 AMB 25-2:1863 0 AMB 25-1:1863 2.80 (# 1863:25 Double Ambig)
&rst
ixpk= 1863, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1121,1122,1123,1125,1126,1127,1121,1122,1123,1125,
1126,1127,2339,2340,2341,2343,2344,2345,2339,2340,
2341,2343,2344,2345,
igr2=1119,2337,
&end
#
# 31 LEU MDX 31 LEU HB- 3.50 (# 1864:25 Unique 2.37, 3.36 A)
&rst
ixpk= 1864, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 472, 473, 474, 476, 477, 478,
igr2= 467, 468,
&end
#
# 0 AMB 25-2:1865 78 LYS HG- 5.50 (# 1865:25 Single Ambig)
&rst
ixpk= 1865, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1212,1188,
igr2=1219,1220,
&end
#
# 21 GLU HN 18 ALA MB 5.50 (# 1866:25 Unique 5.15, 5.44 A)
&rst
ixpk= 1866, nxpk= 25, iat= 299, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 263, 264, 265,
&end
#
# 78 LYS HA 78 LYS HG- 4.50 (# 1867:25 Unique 2.18, 3.22 A)
&rst
ixpk= 1867, nxpk= 25, iat=1214, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1219,1220,
&end
#
# 18 ALA HA 18 ALA MB 2.80 (# 1868:25 Unique 2.46, 2.67 A)
&rst
ixpk= 1868, nxpk= 25, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 263, 264, 265,
&end
#
# 18 ALA HN 18 ALA MB 2.80 (# 1869:25 Unique 2.47, 2.87 A)
&rst
ixpk= 1869, nxpk= 25, iat= 259, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 263, 264, 265,
&end
#
# 19 ALA HN 18 ALA MB 3.50 (# 1870:25 Unique 2.55, 3.47 A)
&rst
ixpk= 1870, nxpk= 25, iat= 269, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 263, 264, 265,
&end
#
# 0 AMB 25-2:1871 18 ALA MB 4.50 (# 1871:25 Single Ambig)
&rst
ixpk= 1871, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 242, 279,
igr2= 263, 264, 265,
&end
#
# 15 GLN HA 18 ALA MB 3.50 (# 1872:25 Unique 2.67, 3.75 A)
&rst
ixpk= 1872, nxpk= 25, iat= 211, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 263, 264, 265,
&end
#
# 0 AMB 25-2:1873 18 ALA MB 3.50 (# 1873:25 Single Ambig)
&rst
ixpk= 1873, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 246, 247, 246, 247, 249, 250,
igr2= 263, 264, 265,
&end
#
# 0 AMB 25-2:1874 18 ALA MB 5.50 (# 1874:25 Single Ambig)
&rst
ixpk= 1874, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 303, 304, 321, 322,
igr2= 263, 264, 265,
&end
#
# 0 AMB 25-2:1875 18 ALA MB 4.50 (# 1875:25 Single Ambig)
&rst
ixpk= 1875, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 249, 250, 318, 319, 318, 319,
igr2= 263, 264, 265,
&end
#
# 13 LYS HB- 0 AMB 25-1:1877 4.50 (# 1877:25 Single Ambig)
&rst
ixpk= 1877, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 181, 182,
igr2= 187, 188, 187, 188,
&end
#
# 0 AMB 25-2:1878 0 AMB 25-1:1878 4.50 (# 1878:25 Double Ambig)
&rst
ixpk= 1878, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1234,1276,
igr2=1219,1220,1283,1284,
&end
#
# 0 AMB 25-2:1879 82 LYS HG- 5.50 (# 1879:25 Single Ambig)
&rst
ixpk= 1879, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1468,1454,
igr2=1283,1284,
&end
#
# 0 AMB 25-2:1880 0 AMB 25-1:1880 3.50 (# 1880:25 Double Ambig)
&rst
ixpk= 1880, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1=1225,1226,1225,1226,1289,1290,1289,1290,
igr2=1219,1220,1283,1284,
&end
#
# 0 AMB 25-2:1881 53 THR MG2 5.50 (# 1881:25 Single Ambig)
&rst
ixpk= 1881, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 993,1028,
igr2= 823, 824, 825,
&end
#
# 135 LEU MDY 53 THR MG2 3.50 (# 1883:25 Unique 2.34, 6.77 A)
&rst
ixpk= 1883, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2084,2085,2086,2088,2089,2090,
igr2= 823, 824, 825,
&end
#
# 0 AMB 25-2:1884 53 THR MG2 3.50 (# 1884:25 Single Ambig)
&rst
ixpk= 1884, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
igr1=2069,2070,2071,1369,1370,1371,1373,1374,1375,
igr2= 823, 824, 825,
&end
#
# 0 AMB 25-2:1885 53 THR MG2 4.50 (# 1885:25 Single Ambig)
&rst
ixpk= 1885, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 717, 736, 778,
igr2= 823, 824, 825,
&end
#
# 0 AMB 25-2:1886 53 THR MG2 5.50 (# 1886:25 Single Ambig)
&rst
ixpk= 1886, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1011, 985,
igr2= 823, 824, 825,
&end
#
# 53 THR HN 53 THR MG2 4.50 (# 1887:25 Unique 3.15, 4.21 A)
&rst
ixpk= 1887, nxpk= 25, iat= 817, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 823, 824, 825,
&end
#
# 0 AMB 25-2:1888 0 AMB 25-1:1888 4.50 (# 1888:25 Double Ambig)
&rst
ixpk= 1888, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1458,1459,1460,1492,1493,1494,1240,1241,1242,1244,
1245,1246,
igr2=1283,1284,1219,1220,
&end
#
# 13 LYS HG- 0 AMB 25-1:1889 4.50 (# 1889:25 Single Ambig)
&rst
ixpk= 1889, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 184, 185,
igr2= 187, 188, 187, 188,
&end
#
# 94 PHE HE 64 ALA MB 4.50 (# 1890:25 Unique 2.55, 4.52 A)
&rst
ixpk= 1890, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1476,1480,
igr2= 987, 988, 989,
&end
#
# 0 AMB 25-2:1891 53 THR MG2 2.80 (# 1891:25 Single Ambig)
&rst
ixpk= 1891, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1=1019,1020,1015,1016,1017,
igr2= 823, 824, 825,
&end
#
# 48 PHE HB- 53 THR MG2 4.50 (# 1892:25 Unique 2.36, 4.35 A)
&rst
ixpk= 1892, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 738, 739,
igr2= 823, 824, 825,
&end
#
# 48 PHE HB+ 53 THR MG2 3.50 (# 1893:25 Unique 2.36, 4.35 A)
&rst
ixpk= 1893, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 738, 739,
igr2= 823, 824, 825,
&end
#
# 131 ALA HA 53 THR MG2 4.50 (# 1894:25 Unique 5.45, 6.93 A)
&rst
ixpk= 1894, nxpk= 25, iat=2007, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 823, 824, 825,
&end
#
# 53 THR HB 53 THR MG2 3.50 (# 1895:25 Unique 2.26, 2.65 A)
&rst
ixpk= 1895, nxpk= 25, iat= 821, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 823, 824, 825,
&end
#
# 53 THR HA 53 THR MG2 3.50 (# 1896:25 Unique 2.34, 2.91 A)
&rst
ixpk= 1896, nxpk= 25, iat= 819, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 823, 824, 825,
&end
#
# 0 AMB 25-2:1897 0 AMB 25-1:1897 5.50 (# 1897:25 Double Ambig)
&rst
ixpk= 1897, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.53, r4=10.28,
igr1=1650,1651,1652,1654,1655,1656,1022,1023,1024,
igr2=1331, 758, 759,
&end
#
# 55 CYS HA 64 ALA MB 5.50 (# 1898:25 Unique 4.21, 4.77 A)
&rst
ixpk= 1898, nxpk= 25, iat= 840, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 987, 988, 989,
&end
#
# 64 ALA HN 64 ALA MB 3.50 (# 1899:25 Unique 2.44, 2.99 A)
&rst
ixpk= 1899, nxpk= 25, iat= 983, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 987, 988, 989,
&end
#
# 65 VAL HN 64 ALA MB 3.50 (# 1900:25 Unique 2.78, 3.66 A)
&rst
ixpk= 1900, nxpk= 25, iat= 993, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 987, 988, 989,
&end
#
# 66 ILE MD1 53 THR MG2 3.50 (# 1901:25 Unique 2.24, 4.22 A)
&rst
ixpk= 1901, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1022,1023,1024,
igr2= 823, 824, 825,
&end
#
# 48 PHE HD 53 THR MG2 4.50 (# 1902:25 Unique 2.22, 4.62 A)
&rst
ixpk= 1902, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 742, 750,
igr2= 823, 824, 825,
&end
#
# 54 GLY HN 53 THR MG2 4.50 (# 1903:25 Unique 2.47, 4.11 A)
&rst
ixpk= 1903, nxpk= 25, iat= 831, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 823, 824, 825,
&end
#
# 48 PHE HN 53 THR MG2 5.50 (# 1904:25 Unique 2.86, 4.71 A)
&rst
ixpk= 1904, nxpk= 25, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 823, 824, 825,
&end
#
# 64 ALA HA 64 ALA MB 3.50 (# 1905:25 Unique 2.41, 2.66 A)
&rst
ixpk= 1905, nxpk= 25, iat= 985, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 987, 988, 989,
&end
#
# 94 PHE HD 64 ALA MB 4.50 (# 1906:25 Unique 4.41, 6.34 A)
&rst
ixpk= 1906, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1474,1482,
igr2= 987, 988, 989,
&end
#
# 94 PHE HE 53 THR MG2 5.50 (# 1907:25 Unique 4.48, 6.92 A)
&rst
ixpk= 1907, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1476,1480,
igr2= 823, 824, 825,
&end
#
# 82 LYS HA 82 LYS HG- 5.50 (# 1908:25 Unique 2.33, 2.83 A)
&rst
ixpk= 1908, nxpk= 25, iat=1278, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1283,1284,
&end
#
# 94 PHE HE 85 LEU HG 5.50 (# 1909:25 Unique 4.33, 6.02 A)
&rst
ixpk= 1909, nxpk= 25, iat= -1,1331, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1476,1480,
&end
#
# 95 THR HA 82 LYS HG- 5.50 (# 1910:25 Unique 2.27, 3.22 A)
&rst
ixpk= 1910, nxpk= 25, iat=1488, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1283,1284,
&end
#
# 49 GLU HA 49 GLU HB- 4.50 (# 1912:25 Unique 2.40, 2.77 A)
&rst
ixpk= 1912, nxpk= 25, iat= 756, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 758, 759,
&end
#
# 85 LEU MDY 0 AMB 25-1:1913 3.50 (# 1913:25 Single Ambig)
&rst
ixpk= 1913, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1333,1334,1335,1337,1338,1339,
igr2=1331, 758, 759,
&end
#
# 94 PHE HD 85 LEU HG 5.50 (# 1914:25 Unique 2.78, 4.67 A)
&rst
ixpk= 1914, nxpk= 25, iat= -1,1331, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1474,1482,
&end
#
# 0 AMB 25-2:1915 0 AMB 25-1:1915 3.50 (# 1915:25 Double Ambig)
&rst
ixpk= 1915, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1333,1334,1335,1337,1338,1339,1650,1651,1652,1654,
1655,1656,
igr2=1331, 758, 759,
&end
#
# 0 AMB 25-2:1916 0 AMB 25-1:1916 4.50 (# 1916:25 Double Ambig)
&rst
ixpk= 1916, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1326,1362,1454, 495,
igr2=1331, 758, 759, 520,
&end
#
# 0 AMB 25-2:1917 0 AMB 25-1:1917 4.50 (# 1917:25 Double Ambig)
&rst
ixpk= 1917, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 184, 185, 184, 185,
igr2= 187, 188, 187, 188,
&end
#
# 86 GLN HN 0 AMB 25-1:1918 5.50 (# 1918:25 Single Ambig)
&rst
ixpk= 1918, nxpk= 25, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1331, 758, 759,
&end
#
# 99 LEU MDX 99 LEU HB- 5.50 (# 1919:25 Unique 2.38, 3.32 A)
&rst
ixpk= 1919, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1547,1548,1549,1551,1552,1553,
igr2=1542,1543,
&end
#
# 85 LEU HN 85 LEU HG 4.50 (# 1920:25 Unique 2.92, 3.22 A)
&rst
ixpk= 1920, nxpk= 25, iat=1324,1331, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 GLU HN 49 GLU HG+ 4.50 (# 1922:25 Unique 2.04, 3.72 A)
&rst
ixpk= 1922, nxpk= 25, iat= 754, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 761, 762,
&end
#
# 0 AMB 25-2:1923 0 AMB 25-1:1923 3.50 (# 1923:25 Double Ambig)
&rst
ixpk= 1923, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1= 673, 674, 673, 674, 190, 191, 190, 191, 190, 191,
igr2= 187, 188, 187, 188, 187, 188, 187, 188,
&end
#
# 13 LYS HN 0 AMB 25-1:1924 5.50 (# 1924:25 Single Ambig)
&rst
ixpk= 1924, nxpk= 25, iat= 177, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 187, 188, 187, 188,
&end
#
# 49 GLU HA 49 GLU HG+ 3.50 (# 1925:25 Unique 2.31, 3.15 A)
&rst
ixpk= 1925, nxpk= 25, iat= 756, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 761, 762,
&end
#
# 99 LEU MDY 99 LEU HB- 4.50 (# 1926:25 Unique 2.38, 3.32 A)
&rst
ixpk= 1926, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1547,1548,1549,1551,1552,1553,
igr2=1542,1543,
&end
#
# 0 AMB 25-2:1927 0 AMB 25-1:1927 3.50 (# 1927:25 Double Ambig)
&rst
ixpk= 1927, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 758, 759,1364,1365,
igr2= 761, 762, 761, 762,
&end
#
# 44 ASP HA 0 AMB 25-1:1928 4.50 (# 1928:25 Single Ambig)
&rst
ixpk= 1928, nxpk= 25, iat= 671, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 187, 188, 187, 188,
&end
#
# 0 AMB 25-2:1929 0 AMB 25-1:1929 5.50 (# 1929:25 Double Ambig)
&rst
ixpk= 1929, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 199, 681,
igr2= 187, 188, 187, 188, 187, 188,
&end
#
# 0 AMB 25-2:1930 0 AMB 25-1:1930 5.50 (# 1930:25 Double Ambig)
&rst
ixpk= 1930, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 742, 750, 788, 789,
igr2= 761, 762, 761, 762,
&end
#
# 48 PHE HA 49 GLU HG+ 5.50 (# 1931:25 Unique 3.93, 5.39 A)
&rst
ixpk= 1931, nxpk= 25, iat= 736, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 761, 762,
&end
#
# 103 SER HN 99 LEU HB- 5.50 (# 1932:25 Unique 2.21, 3.97 A)
&rst
ixpk= 1932, nxpk= 25, iat=1592, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1542,1543,
&end
#
# 4 GLU HA 76 LEU HB- 5.50 (# 1933:25 Unique 2.66, 3.87 A)
&rst
ixpk= 1933, nxpk= 25, iat= 52, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1173,1174,
&end
#
# 76 LEU HN 76 LEU HB- 3.50 (# 1934:25 Unique 2.29, 2.55 A)
&rst
ixpk= 1934, nxpk= 25, iat=1169, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1173,1174,
&end
#
# 3 GLU HB- 76 LEU HB- 5.50 (# 1935:25 Unique 2.29, 4.22 A)
&rst
ixpk= 1935, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 39, 40,
igr2=1173,1174,
&end
#
# 0 AMB 25-2:1936 76 LEU HB- 5.50 (# 1936:25 Single Ambig)
&rst
ixpk= 1936, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 39, 40, 57, 58, 57, 58,
igr2=1173,1174,
&end
#
# 0 AMB 25-2:1937 5 ILE HG1- 2.80 (# 1937:25 Single Ambig)
&rst
ixpk= 1937, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 78, 79, 80,1178,1179,1180,1182,1183,1184,1178,
1179,1180,1182,1183,1184,
igr2= 75, 76,
&end
#
# 0 AMB 25-2:1938 76 LEU HB- 2.80 (# 1938:25 Single Ambig)
&rst
ixpk= 1938, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
igr2=1173,1174,
&end
#
# 76 LEU HA 76 LEU HB- 3.50 (# 1939:25 Unique 2.35, 2.73 A)
&rst
ixpk= 1939, nxpk= 25, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1173,1174,
&end
#
# 0 AMB 25-2:1940 62 LEU HB- 3.50 (# 1940:25 Single Ambig)
&rst
ixpk= 1940, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
igr2= 957, 958,
&end
#
# 0 AMB 25-2:1941 147 ALA MB 5.50 (# 1941:25 Single Ambig)
&rst
ixpk= 1941, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2255,2272,
igr2=2259,2260,2261,
&end
#
# 0 AMB 25-2:1942 76 LEU HB- 5.50 (# 1942:25 Single Ambig)
&rst
ixpk= 1942, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1188, 35,
igr2=1173,1174,
&end
#
# 20 PHE HA 19 ALA MB 5.50 (# 1943:25 Unique 4.33, 4.85 A)
&rst
ixpk= 1943, nxpk= 25, iat= 281, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 273, 274, 275,
&end
#
# 99 LEU MDX 19 ALA MB 3.50 (# 1944:25 Unique 2.20, 4.18 A)
&rst
ixpk= 1944, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1547,1548,1549,1551,1552,1553,
igr2= 273, 274, 275,
&end
#
# 0 AMB 25-2:1945 0 AMB 25-1:1945 2.80 (# 1945:25 Double Ambig)
&rst
ixpk= 1945, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1= 271,2257,2322,
igr2= 273, 274, 275,2259,2260,2261,2324,2325,2326,
&end
#
# 151 ALA HN 151 ALA MB 4.50 (# 1946:25 Unique 2.45, 2.92 A)
&rst
ixpk= 1946, nxpk= 25, iat=2320, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2324,2325,2326,
&end
#
# 99 LEU MDY 19 ALA MB 3.50 (# 1947:25 Unique 2.20, 4.18 A)
&rst
ixpk= 1947, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1547,1548,1549,1551,1552,1553,
igr2= 273, 274, 275,
&end
#
# 102 VAL MGX 19 ALA MB 3.50 (# 1948:25 Unique 2.31, 5.52 A)
&rst
ixpk= 1948, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1582,1583,1584,1586,1587,1588,
igr2= 273, 274, 275,
&end
#
# 0 AMB 25-2:1949 0 AMB 25-1:1949 3.50 (# 1949:25 Double Ambig)
&rst
ixpk= 1949, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 228,2306,2307,
igr2= 273, 274, 275,2324,2325,2326,
&end
#
# 0 AMB 25-2:1950 0 AMB 25-1:1950 2.80 (# 1950:25 Double Ambig)
&rst
ixpk= 1950, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 269,2330,2349,
igr2= 273, 274, 275,2324,2325,2326,
&end
#
# 0 AMB 25-2:1951 0 AMB 25-1:1951 3.50 (# 1951:25 Double Ambig)
&rst
ixpk= 1951, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2265, 279,
igr2=2259,2260,2261, 273, 274, 275,
&end
#
# 62 LEU HA 62 LEU HB- 5.50 (# 1952:25 Unique 2.45, 2.82 A)
&rst
ixpk= 1952, nxpk= 25, iat= 955, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 957, 958,
&end
#
# 0 AMB 25-2:1953 0 AMB 25-1:1953 5.50 (# 1953:25 Double Ambig)
&rst
ixpk= 1953, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=2267,2268, 211,
igr2=2259,2260,2261, 273, 274, 275,
&end
#
# 20 PHE HD 19 ALA MB 5.50 (# 1954:25 Unique 3.88, 6.10 A)
&rst
ixpk= 1954, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 287, 295,
igr2= 273, 274, 275,
&end
#
# 0 AMB 25-2:1955 62 LEU HB- 4.50 (# 1955:25 Single Ambig)
&rst
ixpk= 1955, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1723,1724,1725,1702,1703,1704,1706,1707,1708,1702,
1703,1704,1706,1707,1708,
igr2= 957, 958,
&end
#
# 18 ALA HN 19 ALA MB 5.50 (# 1956:25 Unique 4.96, 5.58 A)
&rst
ixpk= 1956, nxpk= 25, iat= 259, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 273, 274, 275,
&end
#
# 20 PHE HB- 19 ALA MB 5.50 (# 1957:25 Unique 4.26, 5.97 A)
&rst
ixpk= 1957, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 283, 284,
igr2= 273, 274, 275,
&end
#
# 0 AMB 25-2:1959 0 AMB 25-1:1959 5.50 (# 1959:25 Double Ambig)
&rst
ixpk= 1959, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1= 184, 185, 648, 649, 650, 652, 653, 654,
igr2= 181, 182, 181, 182,
&end
#
# 13 LYS HG+ 13 LYS HB+ 5.50 (# 1960:25 Unique 2.35, 2.76 A)
&rst
ixpk= 1960, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 184, 185,
igr2= 181, 182,
&end
#
# 47 LEU HG 47 LEU HB+ 2.80 (# 1961:25 Unique 2.48, 2.79 A)
&rst
ixpk= 1961, nxpk= 25, iat= 722, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 719, 720,
&end
#
# 13 LYS HA 13 LYS HB+ 5.50 (# 1962:25 Unique 2.34, 2.67 A)
&rst
ixpk= 1962, nxpk= 25, iat= 179, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 181, 182,
&end
#
# 14 ALA HN 13 LYS HB+ 5.50 (# 1963:25 Unique 2.26, 3.35 A)
&rst
ixpk= 1963, nxpk= 25, iat= 199, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 181, 182,
&end
#
# 135 LEU MDY 46 THR MG2 5.50 (# 1964:25 Unique 2.32, 4.98 A)
&rst
ixpk= 1964, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=2084,2085,2086,2088,2089,2090,
igr2= 707, 708, 709,
&end
#
# 13 LYS HN 13 LYS HB+ 5.50 (# 1965:25 Unique 2.15, 2.55 A)
&rst
ixpk= 1965, nxpk= 25, iat= 177, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 181, 182,
&end
#
# 0 AMB 25-2:1968 46 THR MG2 5.50 (# 1968:25 Single Ambig)
&rst
ixpk= 1968, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 736, 717,
igr2= 707, 708, 709,
&end
#
# 0 AMB 25-2:1969 0 AMB 25-1:1969 4.50 (# 1969:25 Double Ambig)
&rst
ixpk= 1969, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 717, 736,
igr2= 719, 720, 719, 720,
&end
#
# 48 PHE HD 46 THR MG2 5.50 (# 1970:25 Unique 2.39, 5.13 A)
&rst
ixpk= 1970, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 742, 750,
igr2= 707, 708, 709,
&end
#
# 46 THR HN 46 THR MG2 5.50 (# 1971:25 Unique 2.53, 3.84 A)
&rst
ixpk= 1971, nxpk= 25, iat= 701, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 707, 708, 709,
&end
#
# 47 LEU HN 47 LEU HB+ 3.50 (# 1972:25 Unique 2.29, 3.00 A)
&rst
ixpk= 1972, nxpk= 25, iat= 715, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 719, 720,
&end
#
# 47 LEU HN 46 THR MG2 3.50 (# 1973:25 Unique 2.32, 3.71 A)
&rst
ixpk= 1973, nxpk= 25, iat= 715, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 707, 708, 709,
&end
#
# 46 THR HB 46 THR MG2 2.80 (# 1974:25 Unique 2.35, 2.65 A)
&rst
ixpk= 1974, nxpk= 25, iat= 705, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 707, 708, 709,
&end
#
# 0 AMB 25-2:1976 46 THR MG2 4.50 (# 1976:25 Single Ambig)
&rst
ixpk= 1976, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 821,2077,
igr2= 707, 708, 709,
&end
#
# 47 LEU MDX 47 LEU HB+ 3.50 (# 1977:25 Unique 2.41, 3.31 A)
&rst
ixpk= 1977, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 724, 725, 726, 728, 729, 730,
igr2= 719, 720,
&end
#
# 47 LEU MDY 47 LEU HB+ 4.50 (# 1978:25 Unique 2.41, 3.31 A)
&rst
ixpk= 1978, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 724, 725, 726, 728, 729, 730,
igr2= 719, 720,
&end
#
# 0 AMB 25-2:1979 118 MET ME 4.50 (# 1979:25 Single Ambig)
&rst
ixpk= 1979, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1747,1748,1881,1882,1881,1882,
igr2=1823,1824,1825,
&end
#
# 0 AMB 25-2:1980 118 MET ME 5.50 (# 1980:25 Single Ambig)
&rst
ixpk= 1980, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 574,1896,
igr2=1823,1824,1825,
&end
#
# 0 AMB 25-2:1982 118 MET ME 5.50 (# 1982:25 Single Ambig)
&rst
ixpk= 1982, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 908,1814, 886,
igr2=1823,1824,1825,
&end
#
# 0 AMB 25-2:1983 118 MET ME 5.50 (# 1983:25 Single Ambig)
&rst
ixpk= 1983, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 576,1831,
igr2=1823,1824,1825,
&end
#
# 39 PRO HD- 118 MET ME 5.50 (# 1984:25 Unique 2.62, 6.61 A)
&rst
ixpk= 1984, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 592, 593,
igr2=1823,1824,1825,
&end
#
# 118 MET HB- 118 MET ME 3.50 (# 1985:25 Unique 2.20, 4.41 A)
&rst
ixpk= 1985, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1816,1817,
igr2=1823,1824,1825,
&end
#
# 118 MET HG- 118 MET ME 5.50 (# 1986:25 Unique 2.32, 3.39 A)
&rst
ixpk= 1986, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1819,1820,
igr2=1823,1824,1825,
&end
#
# 0 AMB 25-2:1987 118 MET ME 5.50 (# 1987:25 Single Ambig)
&rst
ixpk= 1987, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1874,1913,
igr2=1823,1824,1825,
&end
#
# 0 AMB 25-2:1988 46 THR MG2 5.50 (# 1988:25 Single Ambig)
&rst
ixpk= 1988, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 738, 739, 685, 686,
igr2= 707, 708, 709,
&end
#
# 0 AMB 25-2:1989 118 MET ME 4.50 (# 1989:25 Single Ambig)
&rst
ixpk= 1989, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1891,1892,1842,
igr2=1823,1824,1825,
&end
#
# 118 MET HG+ 118 MET ME 5.50 (# 1990:25 Unique 2.32, 3.39 A)
&rst
ixpk= 1990, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1819,1820,
igr2=1823,1824,1825,
&end
#
# 39 PRO HD+ 118 MET ME 5.50 (# 1991:25 Unique 2.62, 6.61 A)
&rst
ixpk= 1991, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 592, 593,
igr2=1823,1824,1825,
&end
#
# 123 GLY HN 118 MET ME 5.50 (# 1992:25 Unique 2.60, 3.98 A)
&rst
ixpk= 1992, nxpk= 25, iat=1889, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1823,1824,1825,
&end
#
# 48 PHE HB- 46 THR MG2 5.50 (# 1993:25 Unique 2.21, 4.60 A)
&rst
ixpk= 1993, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 738, 739,
igr2= 707, 708, 709,
&end
#
# 7 GLY HN 6 ALA MB 3.50 (# 1994:25 Unique 2.32, 3.80 A)
&rst
ixpk= 1994, nxpk= 25, iat= 94, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 88, 89, 90,
&end
#
# 6 ALA HN 6 ALA MB 2.80 (# 1995:25 Unique 2.41, 3.02 A)
&rst
ixpk= 1995, nxpk= 25, iat= 84, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 88, 89, 90,
&end
#
# 0 AMB 25-2:1996 6 ALA MB 3.50 (# 1996:25 Single Ambig)
&rst
ixpk= 1996, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
igr1=1596,1597,1596,1597, 96, 97, 67,
igr2= 88, 89, 90,
&end
#
# 6 ALA HA 6 ALA MB 2.80 (# 1997:25 Unique 2.44, 2.65 A)
&rst
ixpk= 1997, nxpk= 25, iat= 86, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 88, 89, 90,
&end
#
# 73 LEU HA 6 ALA MB 5.50 (# 1998:25 Unique 3.59, 5.37 A)
&rst
ixpk= 1998, nxpk= 25, iat=1114, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 88, 89, 90,
&end
#
# 162 ALA HA 162 ALA MB 4.50 (# 1999:25 Unique 2.43, 2.67 A)
&rst
ixpk= 1999, nxpk= 25, iat=2492, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2494,2495,2496,
&end
#
# 162 ALA HN 162 ALA MB 4.50 (# 2000:25 Unique 2.47, 3.36 A)
&rst
ixpk= 2000, nxpk= 25, iat=2490, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2494,2495,2496,
&end
#
# 153 LEU HA 153 LEU HB- 4.50 (# 2001:25 Unique 2.26, 2.70 A)
&rst
ixpk= 2001, nxpk= 25, iat=2351, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2353,2354,
&end
#
# 0 AMB 25-2:2002 153 LEU HB- 2.80 (# 2002:25 Single Ambig)
&rst
ixpk= 2002, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.13, r4= 5.88,
igr1=2356,2358,2359,2360,2362,2363,2364,2358,2359,2360,
2362,2363,2364,2339,2340,2341,2343,2344,2345,
igr2=2353,2354,
&end
#
# 73 LEU HN 73 LEU HB- 5.50 (# 2003:25 Unique 2.30, 3.07 A)
&rst
ixpk= 2003, nxpk= 25, iat=1112, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1116,1117,
&end
#
# 0 AMB 25-2:2004 153 LEU HB- 5.50 (# 2004:25 Single Ambig)
&rst
ixpk= 2004, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2349,2368,
igr2=2353,2354,
&end
#
# 0 AMB 25-2:2006 73 LEU HB- 4.50 (# 2006:25 Single Ambig)
&rst
ixpk= 2006, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 54, 55, 54, 55,
igr2=1116,1117,
&end
#
# 0 AMB 25-2:2007 73 LEU HB- 5.50 (# 2007:25 Single Ambig)
&rst
ixpk= 2007, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 57, 58, 57, 58,
igr2=1116,1117,
&end
#
# 0 AMB 25-2:2008 73 LEU HB- 2.80 (# 2008:25 Single Ambig)
&rst
ixpk= 2008, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1121,1122,1123,1125,1126,1127,1121,1122,1123,1125,
1126,1127,
igr2=1116,1117,
&end
#
# 73 LEU HA 73 LEU HB- 3.50 (# 2009:25 Unique 2.47, 2.79 A)
&rst
ixpk= 2009, nxpk= 25, iat=1114, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1116,1117,
&end
#
# 18 ALA HN 14 ALA MB 5.50 (# 2010:25 Unique 4.62, 5.38 A)
&rst
ixpk= 2010, nxpk= 25, iat= 259, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 203, 204, 205,
&end
#
# 0 AMB 25-2:2011 14 ALA MB 3.50 (# 2011:25 Single Ambig)
&rst
ixpk= 2011, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 213, 214, 213, 214,
igr2= 203, 204, 205,
&end
#
# 15 GLN HG- 14 ALA MB 5.50 (# 2012:25 Unique 2.96, 4.85 A)
&rst
ixpk= 2012, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 216, 217,
igr2= 203, 204, 205,
&end
#
# 0 AMB 25-2:2013 106 LEU HB- 5.50 (# 2013:25 Single Ambig)
&rst
ixpk= 2013, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1650,1651,1652,1654,1655,1656,1022,1023,1024,
igr2=1645,1646,
&end
#
# 17 GLN HN 14 ALA MB 5.50 (# 2014:25 Unique 5.25, 5.53 A)
&rst
ixpk= 2014, nxpk= 25, iat= 242, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 203, 204, 205,
&end
#
# 0 AMB 25-2:2015 14 ALA MB 2.80 (# 2015:25 Single Ambig)
&rst
ixpk= 2015, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 201, 211,
igr2= 203, 204, 205,
&end
#
# 15 GLN HN 14 ALA MB 3.50 (# 2016:25 Unique 2.41, 3.37 A)
&rst
ixpk= 2016, nxpk= 25, iat= 209, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 203, 204, 205,
&end
#
# 14 ALA HN 14 ALA MB 2.80 (# 2017:25 Unique 2.46, 2.87 A)
&rst
ixpk= 2017, nxpk= 25, iat= 199, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 203, 204, 205,
&end
#
# 0 AMB 25-2:2018 14 ALA MB 3.50 (# 2018:25 Single Ambig)
&rst
ixpk= 2018, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 246, 247, 246, 247, 249, 250,
igr2= 203, 204, 205,
&end
#
# 49 GLU HN 49 GLU HG- 4.50 (# 2019:25 Unique 2.04, 3.72 A)
&rst
ixpk= 2019, nxpk= 25, iat= 754, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 761, 762,
&end
#
# 49 GLU HA 49 GLU HG- 3.50 (# 2020:25 Unique 2.31, 3.15 A)
&rst
ixpk= 2020, nxpk= 25, iat= 756, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 761, 762,
&end
#
# 48 PHE HE 49 GLU HG- 4.50 (# 2021:25 Unique 3.20, 6.22 A)
&rst
ixpk= 2021, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 744, 748,
igr2= 761, 762,
&end
#
# 50 GLY HN 49 GLU HG- 5.50 (# 2022:25 Unique 4.02, 5.29 A)
&rst
ixpk= 2022, nxpk= 25, iat= 769, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 761, 762,
&end
#
# 0 AMB 25-2:2023 49 GLU HG- 4.50 (# 2023:25 Single Ambig)
&rst
ixpk= 2023, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 742, 750, 788, 789,
igr2= 761, 762,
&end
#
# 0 AMB 25-2:2024 49 GLU HG- 3.50 (# 2024:25 Single Ambig)
&rst
ixpk= 2024, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 758, 759,1364,1365,
igr2= 761, 762,
&end
#
# 48 PHE HA 49 GLU HG- 5.50 (# 2025:25 Unique 3.93, 5.39 A)
&rst
ixpk= 2025, nxpk= 25, iat= 736, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 761, 762,
&end
#
# 0 AMB 25-2:2026 0 AMB 25-1:2026 3.50 (# 2026:25 Double Ambig)
&rst
ixpk= 2026, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 69,1192,1193,
igr2= 75, 76,1308,1309, 75, 76,
&end
#
# 0 AMB 25-2:2027 0 AMB 25-1:2027 5.50 (# 2027:25 Double Ambig)
&rst
ixpk= 2027, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 50, 84,
igr2= 75, 76, 75, 76,
&end
#
# 0 AMB 25-2:2028 0 AMB 25-1:2028 4.50 (# 2028:25 Double Ambig)
&rst
ixpk= 2028, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 67,1596,1597,
igr2= 75, 76, 75, 76,
&end
#
# 5 ILE HN 5 ILE HG1+ 4.50 (# 2029:25 Unique 2.25, 3.44 A)
&rst
ixpk= 2029, nxpk= 25, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 75, 76,
&end
#
# 0 AMB 25-2:2030 0 AMB 25-1:2030 5.50 (# 2030:25 Double Ambig)
&rst
ixpk= 2030, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1607,1608,1607,1608,
igr2= 75, 76, 75, 76,
&end
#
# 9 GLN HG- 10 THR MG2 5.50 (# 2032:25 Unique 5.10, 6.99 A)
&rst
ixpk= 2032, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 128, 129,
igr2= 144, 145, 146,
&end
#
# 0 AMB 25-2:2033 10 THR MG2 5.50 (# 2033:25 Single Ambig)
&rst
ixpk= 2033, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 673, 674, 128, 129,
igr2= 144, 145, 146,
&end
#
# 9 GLN HB- 10 THR MG2 4.50 (# 2034:25 Unique 2.82, 4.78 A)
&rst
ixpk= 2034, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 125, 126,
igr2= 144, 145, 146,
&end
#
# 9 GLN HB+ 10 THR MG2 4.50 (# 2035:25 Unique 2.82, 4.78 A)
&rst
ixpk= 2035, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 125, 126,
igr2= 144, 145, 146,
&end
#
# 10 THR HB 10 THR MG2 2.80 (# 2036:25 Unique 2.35, 2.65 A)
&rst
ixpk= 2036, nxpk= 25, iat= 142, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 144, 145, 146,
&end
#
# 10 THR HA 10 THR MG2 3.50 (# 2038:25 Unique 2.37, 3.09 A)
&rst
ixpk= 2038, nxpk= 25, iat= 140, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 144, 145, 146,
&end
#
# 10 THR HN 10 THR MG2 4.50 (# 2040:25 Unique 3.02, 4.21 A)
&rst
ixpk= 2040, nxpk= 25, iat= 138, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 144, 145, 146,
&end
#
# 11 SER HN 10 THR MG2 4.50 (# 2041:25 Unique 3.66, 4.40 A)
&rst
ixpk= 2041, nxpk= 25, iat= 152, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 144, 145, 146,
&end
#
# 52 TRP HZ2 10 THR MG2 5.50 (# 2042:25 Unique 2.69, 4.53 A)
&rst
ixpk= 2042, nxpk= 25, iat= 806, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 144, 145, 146,
&end
#
# 0 AMB 25-2:2043 0 AMB 25-1:2043 5.50 (# 2043:25 Double Ambig)
&rst
ixpk= 2043, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1198,1199,1198,1199,1470,1471,
igr2=1308,1309,1019,1020,
&end
#
# 0 AMB 25-2:2044 83 ILE HG1- 3.50 (# 2044:25 Single Ambig)
&rst
ixpk= 2044, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1506,1507,1508,1510,1511,1512,1304,1305,1306,
igr2=1308,1309,
&end
#
# 83 ILE HN 83 ILE HG1- 5.50 (# 2045:25 Unique 2.51, 3.53 A)
&rst
ixpk= 2045, nxpk= 25, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1308,1309,
&end
#
# 0 AMB 25-2:2046 0 AMB 25-1:2046 4.50 (# 2046:25 Double Ambig)
&rst
ixpk= 2046, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 318, 319, 318, 319, 333,
igr2= 339, 340, 339, 340, 339, 340,
&end
#
# 0 AMB 25-2:2047 0 AMB 25-1:2047 2.80 (# 2047:25 Double Ambig)
&rst
ixpk= 2047, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1333,1334,1335,1337,1338,1339,1311,1312,1313,
igr2=1019,1020,1308,1309,
&end
#
# 83 ILE HA 83 ILE HG1- 5.50 (# 2048:25 Unique 2.55, 3.53 A)
&rst
ixpk= 2048, nxpk= 25, iat=1300, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1308,1309,
&end
#
# 20 PHE HA 23 ILE HG1+ 5.50 (# 2049:25 Unique 3.59, 4.42 A)
&rst
ixpk= 2049, nxpk= 25, iat= 281, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 339, 340,
&end
#
# 0 AMB 25-2:2050 0 AMB 25-1:2050 2.80 (# 2050:25 Double Ambig)
&rst
ixpk= 2050, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.88, r4= 5.63,
igr1=1302,1195,1196,1195,1196,1173,1174,
igr2=1308,1309, 75, 76,
&end
#
# 84 GLY HN 83 ILE HG1- 5.50 (# 2051:25 Unique 4.49, 5.46 A)
&rst
ixpk= 2051, nxpk= 25, iat=1317, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1308,1309,
&end
#
# 23 ILE HA 23 ILE HG1+ 4.50 (# 2052:25 Unique 2.64, 2.72 A)
&rst
ixpk= 2052, nxpk= 25, iat= 331, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 339, 340,
&end
#
# 0 AMB 25-2:2053 0 AMB 25-1:2053 3.50 (# 2053:25 Double Ambig)
&rst
ixpk= 2053, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1650,1651,1652,1654,1655,1656,1022,1023,1024,
igr2=1308,1309,1019,1020,
&end
#
# 13 LYS HN 13 LYS HB- 5.50 (# 2054:25 Unique 2.15, 2.55 A)
&rst
ixpk= 2054, nxpk= 25, iat= 177, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 181, 182,
&end
#
# 13 LYS HA 13 LYS HB- 5.50 (# 2055:25 Unique 2.34, 2.67 A)
&rst
ixpk= 2055, nxpk= 25, iat= 179, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 181, 182,
&end
#
# 0 AMB 25-2:2057 140 THR MG2 3.50 (# 2057:25 Single Ambig)
&rst
ixpk= 2057, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2189,2190,2186,2187,2186,2187,
igr2=2160,2161,2162,
&end
#
# 140 THR HB 140 THR MG2 2.80 (# 2058:25 Unique 2.42, 2.67 A)
&rst
ixpk= 2058, nxpk= 25, iat=2158, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=2160,2161,2162,
&end
#
# 23 ILE HN 23 ILE HG1+ 5.50 (# 2059:25 Unique 2.14, 2.96 A)
&rst
ixpk= 2059, nxpk= 25, iat= 329, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 339, 340,
&end
#
# 0 AMB 25-2:2060 0 AMB 25-1:2060 3.50 (# 2060:25 Double Ambig)
&rst
ixpk= 2060, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2192,1254,1255,
igr2=2160,2161,2162,1492,1493,1494,
&end
#
# 0 AMB 25-2:2061 0 AMB 25-1:2061 4.50 (# 2061:25 Double Ambig)
&rst
ixpk= 2061, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=2189,2190,1504,
igr2=2160,2161,2162,1492,1493,1494,
&end
#
# 141 ASN HN 140 THR MG2 4.50 (# 2062:25 Unique 2.54, 3.37 A)
&rst
ixpk= 2062, nxpk= 25, iat=2168, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2160,2161,2162,
&end
#
# 0 AMB 25-2:2063 95 THR MG2 4.50 (# 2063:25 Single Ambig)
&rst
ixpk= 2063, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1289,1290,1289,1290,
igr2=1492,1493,1494,
&end
#
# 82 LYS HA 95 THR MG2 5.50 (# 2064:25 Unique 3.48, 4.59 A)
&rst
ixpk= 2064, nxpk= 25, iat=1278, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1492,1493,1494,
&end
#
# 81 GLU HN 95 THR MG2 5.50 (# 2065:25 Unique 3.29, 4.46 A)
&rst
ixpk= 2065, nxpk= 25, iat=1261, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1492,1493,1494,
&end
#
# 80 SER HA 95 THR MG2 2.80 (# 2066:25 Unique 2.22, 2.75 A)
&rst
ixpk= 2066, nxpk= 25, iat=1252, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1492,1493,1494,
&end
#
# 95 THR HA 95 THR MG2 3.50 (# 2067:25 Unique 2.43, 3.06 A)
&rst
ixpk= 2067, nxpk= 25, iat=1488, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1492,1493,1494,
&end
#
# 96 VAL HN 95 THR MG2 3.50 (# 2068:25 Unique 2.67, 3.41 A)
&rst
ixpk= 2068, nxpk= 25, iat=1500, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1492,1493,1494,
&end
#
# 83 ILE HN 95 THR MG2 5.50 (# 2069:25 Unique 5.47, 6.41 A)
&rst
ixpk= 2069, nxpk= 25, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1492,1493,1494,
&end
#
# 80 SER HN 95 THR MG2 4.50 (# 2070:25 Unique 2.97, 4.07 A)
&rst
ixpk= 2070, nxpk= 25, iat=1250, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1492,1493,1494,
&end
#
# 95 THR HN 95 THR MG2 4.50 (# 2071:25 Unique 4.44, 4.56 A)
&rst
ixpk= 2071, nxpk= 25, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1492,1493,1494,
&end
#
# 67 PHE HD 65 VAL MGY 4.50 (# 2072:25 Unique 4.63, 7.57 A)
&rst
ixpk= 2072, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1036,1044,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 65 VAL HN 65 VAL MGY 4.50 (# 2073:25 Unique 2.49, 3.76 A)
&rst
ixpk= 2073, nxpk= 25, iat= 993, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 108 CYS HN 65 VAL MGY 5.50 (# 2074:25 Unique 3.64, 5.88 A)
&rst
ixpk= 2074, nxpk= 25, iat=1671, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 65 VAL HB 65 VAL MGY 3.50 (# 2075:25 Unique 2.37, 2.65 A)
&rst
ixpk= 2075, nxpk= 25, iat= 997, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 65 VAL HA 65 VAL MGY 3.50 (# 2076:25 Unique 2.37, 3.49 A)
&rst
ixpk= 2076, nxpk= 25, iat= 995, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 105 TYR HE 65 VAL MGY 3.50 (# 2077:25 Unique 2.26, 5.77 A)
&rst
ixpk= 2077, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1630,1635,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 105 TYR HD 65 VAL MGY 3.50 (# 2078:25 Unique 2.26, 6.07 A)
&rst
ixpk= 2078, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1628,1637,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 66 ILE HN 65 VAL MGY 4.50 (# 2079:25 Unique 2.52, 4.54 A)
&rst
ixpk= 2079, nxpk= 25, iat=1009, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 56 VAL HN 65 VAL MGY 5.50 (# 2080:25 Unique 2.60, 4.82 A)
&rst
ixpk= 2080, nxpk= 25, iat= 849, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 56 VAL MGX 65 VAL MGY 3.50 (# 2081:25 Unique 2.25, 5.59 A)
&rst
ixpk= 2081, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 855, 856, 857, 859, 860, 861,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 0 AMB 25-2:2083 65 VAL MGY 5.50 (# 2083:25 Single Ambig)
&rst
ixpk= 2083, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 833, 834, 976, 977,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 107 SER HB+ 65 VAL MGY 3.50 (# 2084:25 Unique 2.25, 5.48 A)
&rst
ixpk= 2084, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1664,1665,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 0 AMB 25-2:2085 65 VAL MGY 5.50 (# 2085:25 Single Ambig)
&rst
ixpk= 2085, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 985,1011,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 55 CYS HA 65 VAL MGY 5.50 (# 2086:25 Unique 2.34, 4.37 A)
&rst
ixpk= 2086, nxpk= 25, iat= 840, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 124 GLN HA 124 GLN HB+ 5.50 (# 2087:25 Unique 2.25, 2.74 A)
&rst
ixpk= 2087, nxpk= 25, iat=1898, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1900,1901,
&end
#
# 124 GLN HA 124 GLN HG+ 4.50 (# 2088:25 Unique 2.39, 2.89 A)
&rst
ixpk= 2088, nxpk= 25, iat=1898, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1903,1904,
&end
#
# 124 GLN HN 124 GLN HB+ 4.50 (# 2089:25 Unique 2.16, 2.98 A)
&rst
ixpk= 2089, nxpk= 25, iat=1896, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1900,1901,
&end
#
# 122 GLU HN 124 GLN HB+ 5.50 (# 2090:25 Unique 5.22, 6.46 A)
&rst
ixpk= 2090, nxpk= 25, iat=1874, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1900,1901,
&end
#
# 124 GLN HE2- 124 GLN HG+ 4.50 (# 2091:25 Unique 2.30, 3.37 A)
&rst
ixpk= 2091, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1908,1909,
igr2=1903,1904,
&end
#
# 0 AMB 25-2:2092 0 AMB 25-1:2092 3.50 (# 2092:25 Double Ambig)
&rst
ixpk= 2092, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1908,1909, 629, 638,
igr2=1903,1904,1903,1904,
&end
#
# 124 GLN HN 124 GLN HG+ 4.50 (# 2093:25 Unique 2.25, 3.16 A)
&rst
ixpk= 2093, nxpk= 25, iat=1896, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1903,1904,
&end
#
# 47 LEU HG 47 LEU HB- 4.50 (# 2094:25 Unique 2.48, 2.79 A)
&rst
ixpk= 2094, nxpk= 25, iat= 722, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 719, 720,
&end
#
# 47 LEU MDY 47 LEU HB- 3.50 (# 2095:25 Unique 2.41, 3.31 A)
&rst
ixpk= 2095, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 724, 725, 726, 728, 729, 730,
igr2= 719, 720,
&end
#
# 47 LEU HN 47 LEU HB- 3.50 (# 2096:25 Unique 2.29, 3.00 A)
&rst
ixpk= 2096, nxpk= 25, iat= 715, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 719, 720,
&end
#
# 47 LEU MDX 47 LEU HB- 3.50 (# 2098:25 Unique 2.41, 3.31 A)
&rst
ixpk= 2098, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 724, 725, 726, 728, 729, 730,
igr2= 719, 720,
&end
#
# 95 THR HA 93 THR MG2 5.50 (# 2099:25 Unique 5.76, 6.80 A)
&rst
ixpk= 2099, nxpk= 25, iat=1488, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1458,1459,1460,
&end
#
# 0 AMB 25-2:2100 47 LEU HB- 3.50 (# 2100:25 Single Ambig)
&rst
ixpk= 2100, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 717, 736,
igr2= 719, 720,
&end
#
# 94 PHE HN 93 THR MG2 3.50 (# 2101:25 Unique 3.48, 4.42 A)
&rst
ixpk= 2101, nxpk= 25, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1458,1459,1460,
&end
#
# 0 AMB 25-2:2102 0 AMB 25-1:2102 2.80 (# 2102:25 Double Ambig)
&rst
ixpk= 2102, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr1=1527,1528,1238,1347,1348,
igr2=1240,1241,1242,1244,1245,1246,1427,1428,1429,
&end
#
# 79 VAL HA 79 VAL MGX 3.50 (# 2103:25 Unique 2.46, 3.30 A)
&rst
ixpk= 2103, nxpk= 25, iat=1236, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 80 SER HN 79 VAL MGX 3.50 (# 2104:25 Unique 2.22, 3.94 A)
&rst
ixpk= 2104, nxpk= 25, iat=1250, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 97 GLY HA- 79 VAL MGX 4.50 (# 2105:25 Unique 2.05, 5.00 A)
&rst
ixpk= 2105, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1518,1519,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 0 AMB 25-2:2106 0 AMB 25-1:2106 3.50 (# 2106:25 Double Ambig)
&rst
ixpk= 2106, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.60, r4= 7.35,
igr1=1214,1319,1320,1254,1255,
igr2=1240,1241,1242,1244,1245,1246,1427,1428,1429,
&end
#
# 97 GLY HA+ 79 VAL MGX 3.50 (# 2107:25 Unique 2.05, 5.00 A)
&rst
ixpk= 2107, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1518,1519,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 0 AMB 25-2:2108 93 THR MG2 3.50 (# 2108:25 Single Ambig)
&rst
ixpk= 2108, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1452,1317,
igr2=1458,1459,1460,
&end
#
# 0 AMB 25-2:2109 93 THR MG2 3.50 (# 2109:25 Single Ambig)
&rst
ixpk= 2109, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1283,1284,1280,1281,1286,1287,
igr2=1458,1459,1460,
&end
#
# 82 LYS HB+ 93 THR MG2 2.80 (# 2110:25 Unique 2.52, 3.62 A)
&rst
ixpk= 2110, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1280,1281,
igr2=1458,1459,1460,
&end
#
# 82 LYS HA 93 THR MG2 5.50 (# 2111:25 Unique 4.35, 5.38 A)
&rst
ixpk= 2111, nxpk= 25, iat=1278, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1458,1459,1460,
&end
#
# 0 AMB 25-2:2112 0 AMB 25-1:2112 4.50 (# 2112:25 Double Ambig)
&rst
ixpk= 2112, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.79, r4= 8.54,
igr1=1360,1261,1538,
igr2=1427,1428,1429,1240,1241,1242,1244,1245,1246,
&end
#
# 79 VAL HN 79 VAL MGX 3.50 (# 2113:25 Unique 1.62, 3.69 A)
&rst
ixpk= 2113, nxpk= 25, iat=1234, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 0 AMB 25-2:2114 93 THR MG2 4.50 (# 2114:25 Single Ambig)
&rst
ixpk= 2114, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1289,1290,1289,1290,1470,1471,
igr2=1458,1459,1460,
&end
#
# 83 ILE HN 93 THR MG2 3.50 (# 2115:25 Unique 3.32, 4.64 A)
&rst
ixpk= 2115, nxpk= 25, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1458,1459,1460,
&end
#
# 0 AMB 25-2:2116 0 AMB 25-1:2116 3.50 (# 2116:25 Double Ambig)
&rst
ixpk= 2116, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.98, r4= 7.73,
igr1=1350,1351,1607,1608,1607,1608,1504,
igr2=1427,1428,1429,1240,1241,1242,1244,1245,1246,
&end
#
# 98 GLU HA 79 VAL MGX 3.50 (# 2117:25 Unique 3.91, 5.10 A)
&rst
ixpk= 2117, nxpk= 25, iat=1525, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 0 AMB 25-2:2118 0 AMB 25-1:2118 2.80 (# 2118:25 Double Ambig)
&rst
ixpk= 2118, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1456,1425,
igr2=1458,1459,1460,1427,1428,1429,
&end
#
# 0 AMB 25-2:2119 0 AMB 25-1:2119 3.50 (# 2119:25 Double Ambig)
&rst
ixpk= 2119, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
igr1=1435,1324,1516,
igr2=1427,1428,1429,1240,1241,1242,1244,1245,1246,
&end
#
# 38 MET HA 0 AMB 25-1:2120 5.50 (# 2120:25 Single Ambig)
&rst
ixpk= 2120, nxpk= 25, iat= 576, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1850,1851,1850,1851,
&end
#
# 0 AMB 25-2:2121 0 AMB 25-1:2121 5.50 (# 2121:25 Double Ambig)
&rst
ixpk= 2121, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 592, 593, 567, 568,
igr2=1850,1851,1850,1851,1850,1851,
&end
#
# 85 LEU MDY 83 ILE HG1+ 5.50 (# 2122:25 Unique 4.62, 6.96 A)
&rst
ixpk= 2122, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1333,1334,1335,1337,1338,1339,
igr2=1308,1309,
&end
#
# 0 AMB 25-2:2123 0 AMB 25-1:2123 5.50 (# 2123:25 Double Ambig)
&rst
ixpk= 2123, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1058, 271,
igr2=1015,1016,1017, 335, 336, 337,
&end
#
# 23 ILE HG1- 23 ILE MG2 2.80 (# 2124:25 Unique 2.43, 3.46 A)
&rst
ixpk= 2124, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 339, 340,
igr2= 335, 336, 337,
&end
#
# 23 ILE HB 23 ILE MG2 2.80 (# 2125:25 Unique 2.43, 2.66 A)
&rst
ixpk= 2125, nxpk= 25, iat= 333, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 335, 336, 337,
&end
#
# 23 ILE HA 23 ILE MG2 3.50 (# 2126:25 Unique 2.67, 3.30 A)
&rst
ixpk= 2126, nxpk= 25, iat= 331, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 335, 336, 337,
&end
#
# 20 PHE HA 23 ILE MG2 4.50 (# 2127:25 Unique 3.99, 4.54 A)
&rst
ixpk= 2127, nxpk= 25, iat= 281, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 335, 336, 337,
&end
#
# 0 AMB 25-2:2128 23 ILE MG2 4.50 (# 2128:25 Single Ambig)
&rst
ixpk= 2128, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 329, 382,
igr2= 335, 336, 337,
&end
#
# 120 ILE HA 0 AMB 25-1:2129 5.50 (# 2129:25 Single Ambig)
&rst
ixpk= 2129, nxpk= 25, iat=1842, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1850,1851,1850,1851,
&end
#
# 24 ALA HA 23 ILE MG2 5.50 (# 2130:25 Unique 3.63, 4.78 A)
&rst
ixpk= 2130, nxpk= 25, iat= 350, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 335, 336, 337,
&end
#
# 0 AMB 25-2:2131 0 AMB 25-1:2131 3.50 (# 2131:25 Double Ambig)
&rst
ixpk= 2131, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 788, 789, 287, 295, 742, 750,
igr2=1015,1016,1017, 335, 336, 337,
&end
#
# 60 TRP HZ2 23 ILE MG2 4.50 (# 2132:25 Unique 2.39, 4.45 A)
&rst
ixpk= 2132, nxpk= 25, iat= 925, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 335, 336, 337,
&end
#
# 128 ASP HN 127 THR MG2 5.50 (# 2133:25 Unique 3.88, 4.67 A)
&rst
ixpk= 2133, nxpk= 25, iat=1970, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1962,1963,1964,
&end
#
# 0 AMB 25-2:2134 0 AMB 25-1:2134 4.50 (# 2134:25 Double Ambig)
&rst
ixpk= 2134, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 348,1009,1641,
igr2= 335, 336, 337,1015,1016,1017,
&end
#
# 57 ILE HN 127 THR MG2 4.50 (# 2135:25 Unique 3.00, 4.00 A)
&rst
ixpk= 2135, nxpk= 25, iat= 865, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1962,1963,1964,
&end
#
# 0 AMB 25-2:2136 127 THR MG2 3.50 (# 2136:25 Single Ambig)
&rst
ixpk= 2136, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 842, 843, 625, 626,
igr2=1962,1963,1964,
&end
#
# 55 CYS HB+ 127 THR MG2 4.50 (# 2137:25 Unique 2.19, 3.14 A)
&rst
ixpk= 2137, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 842, 843,
igr2=1962,1963,1964,
&end
#
# 0 AMB 25-2:2138 127 THR MG2 3.50 (# 2138:25 Single Ambig)
&rst
ixpk= 2138, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 662, 663, 662, 663,1958,
igr2=1962,1963,1964,
&end
#
# 41 TYR HE 127 THR MG2 4.50 (# 2139:25 Unique 3.36, 6.09 A)
&rst
ixpk= 2139, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 631, 636,
igr2=1962,1963,1964,
&end
#
# 41 TYR HB- 127 THR MG2 5.50 (# 2140:25 Unique 3.51, 5.94 A)
&rst
ixpk= 2140, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 625, 626,
igr2=1962,1963,1964,
&end
#
# 41 TYR HD 127 THR MG2 3.50 (# 2141:25 Unique 2.53, 5.52 A)
&rst
ixpk= 2141, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 629, 638,
igr2=1962,1963,1964,
&end
#
# 56 VAL HA 127 THR MG2 4.50 (# 2142:25 Unique 2.67, 3.35 A)
&rst
ixpk= 2142, nxpk= 25, iat= 851, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1962,1963,1964,
&end
#
# 127 THR HB 127 THR MG2 2.80 (# 2143:25 Unique 2.41, 2.66 A)
&rst
ixpk= 2143, nxpk= 25, iat=1960, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1962,1963,1964,
&end
#
# 0 AMB 25-2:2145 79 VAL MGY 3.50 (# 2145:25 Single Ambig)
&rst
ixpk= 2145, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1222,1223,1222,1223,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 104 GLN HE2- 79 VAL MGY 5.50 (# 2146:25 Unique 2.89, 5.54 A)
&rst
ixpk= 2146, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1615,1616,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 78 LYS HA 79 VAL MGY 2.80 (# 2147:25 Unique 3.00, 5.19 A)
&rst
ixpk= 2147, nxpk= 25, iat=1214, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 0 AMB 25-2:2148 79 VAL MGY 4.50 (# 2148:25 Single Ambig)
&rst
ixpk= 2148, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1516,1500,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 80 SER HB+ 79 VAL MGY 3.50 (# 2149:25 Unique 3.80, 6.23 A)
&rst
ixpk= 2149, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1254,1255,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 0 AMB 25-2:2150 66 ILE MG2 5.50 (# 2150:25 Single Ambig)
&rst
ixpk= 2150, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1333,1334,1335,1337,1338,1339,1650,1651,1652,1654,
1655,1656,
igr2=1015,1016,1017,
&end
#
# 104 GLN HE2+ 79 VAL MGY 4.50 (# 2151:25 Unique 2.89, 5.54 A)
&rst
ixpk= 2151, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1615,1616,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 0 AMB 25-2:2152 79 VAL MGY 4.50 (# 2152:25 Single Ambig)
&rst
ixpk= 2152, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1261,1538,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 98 GLU HN 79 VAL MGY 4.50 (# 2153:25 Unique 2.25, 3.85 A)
&rst
ixpk= 2153, nxpk= 25, iat=1523, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 80 SER HN 79 VAL MGY 3.50 (# 2154:25 Unique 2.22, 3.94 A)
&rst
ixpk= 2154, nxpk= 25, iat=1250, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 67 PHE HN 66 ILE MG2 4.50 (# 2155:25 Unique 2.54, 3.29 A)
&rst
ixpk= 2155, nxpk= 25, iat=1028, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1015,1016,1017,
&end
#
# 0 AMB 25-2:2156 79 VAL MGY 2.80 (# 2156:25 Single Ambig)
&rst
ixpk= 2156, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1527,1528,1238,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 97 GLY HA- 79 VAL MGY 4.50 (# 2157:25 Unique 2.05, 5.00 A)
&rst
ixpk= 2157, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1518,1519,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 0 AMB 25-2:2158 79 VAL MGY 3.50 (# 2158:25 Single Ambig)
&rst
ixpk= 2158, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1530,1531,1530,1531,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 79 VAL HN 79 VAL MGY 2.80 (# 2159:25 Unique 1.62, 3.69 A)
&rst
ixpk= 2159, nxpk= 25, iat=1234, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 104 GLN HG- 79 VAL MGY 4.50 (# 2160:25 Unique 2.40, 5.36 A)
&rst
ixpk= 2160, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1610,1611,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 79 VAL HA 79 VAL MGY 2.80 (# 2161:25 Unique 2.46, 3.30 A)
&rst
ixpk= 2161, nxpk= 25, iat=1236, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 97 GLY HA+ 79 VAL MGY 3.50 (# 2162:25 Unique 2.05, 5.00 A)
&rst
ixpk= 2162, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1518,1519,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 51 GLN HG- 66 ILE MG2 5.50 (# 2163:25 Unique 2.23, 4.54 A)
&rst
ixpk= 2163, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 783, 784,
igr2=1015,1016,1017,
&end
#
# 0 AMB 25-2:2165 66 ILE MG2 2.80 (# 2165:25 Single Ambig)
&rst
ixpk= 2165, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1=1022,1023,1024,1650,1651,1652,1654,1655,1656,
igr2=1015,1016,1017,
&end
#
# 85 LEU MDY 66 ILE MG2 5.50 (# 2166:25 Unique 2.25, 5.39 A)
&rst
ixpk= 2166, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1333,1334,1335,1337,1338,1339,
igr2=1015,1016,1017,
&end
#
# 0 AMB 25-2:2167 66 ILE MG2 3.50 (# 2167:25 Single Ambig)
&rst
ixpk= 2167, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 823, 824, 825,1331, 758, 759,
igr2=1015,1016,1017,
&end
#
# 0 AMB 25-2:2168 66 ILE MG2 3.50 (# 2168:25 Single Ambig)
&rst
ixpk= 2168, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1013,1645,1646,
igr2=1015,1016,1017,
&end
#
# 51 GLN HB- 66 ILE MG2 3.50 (# 2169:25 Unique 2.15, 3.15 A)
&rst
ixpk= 2169, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 780, 781,
igr2=1015,1016,1017,
&end
#
# 0 AMB 25-2:2170 66 ILE MG2 4.50 (# 2170:25 Single Ambig)
&rst
ixpk= 2170, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 780, 781, 783, 784,
igr2=1015,1016,1017,
&end
#
# 66 ILE HA 66 ILE MG2 4.50 (# 2171:25 Unique 2.36, 3.24 A)
&rst
ixpk= 2171, nxpk= 25, iat=1011, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1015,1016,1017,
&end
#
# 87 LEU HN 87 LEU MDX 4.50 (# 2172:25 Unique 1.73, 4.27 A)
&rst
ixpk= 2172, nxpk= 25, iat=1360, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 94 PHE HE 87 LEU MDX 3.50 (# 2173:25 Unique 2.23, 5.08 A)
&rst
ixpk= 2173, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1476,1480,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 85 LEU HA 87 LEU MDX 4.50 (# 2174:25 Unique 4.44, 6.80 A)
&rst
ixpk= 2174, nxpk= 25, iat=1326, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 0 AMB 25-2:2175 87 LEU MDX 3.50 (# 2175:25 Single Ambig)
&rst
ixpk= 2175, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1401,1410,1474,1482,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 0 AMB 25-2:2176 87 LEU MDX 5.50 (# 2176:25 Single Ambig)
&rst
ixpk= 2176, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1435,1324,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 134 ILE HA 87 LEU MDX 5.50 (# 2177:25 Unique 3.64, 6.42 A)
&rst
ixpk= 2177, nxpk= 25, iat=2058, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 0 AMB 25-2:2178 87 LEU MDX 5.50 (# 2178:25 Single Ambig)
&rst
ixpk= 2178, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1414, 744, 748,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 0 AMB 25-2:2179 13 LYS HG- 5.50 (# 2179:25 Single Ambig)
&rst
ixpk= 2179, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 190, 191, 190, 191, 673, 674,
igr2= 184, 185,
&end
#
# 88 PRO HD- 87 LEU MDX 4.50 (# 2180:25 Unique 3.45, 5.60 A)
&rst
ixpk= 2180, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1380,1381,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 83 ILE HA 83 ILE HG1+ 5.50 (# 2181:25 Unique 2.55, 3.53 A)
&rst
ixpk= 2181, nxpk= 25, iat=1300, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1308,1309,
&end
#
# 84 GLY HN 83 ILE HG1+ 5.50 (# 2182:25 Unique 4.49, 5.46 A)
&rst
ixpk= 2182, nxpk= 25, iat=1317, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1308,1309,
&end
#
# 0 AMB 25-2:2183 0 AMB 25-1:2183 3.50 (# 2183:25 Double Ambig)
&rst
ixpk= 2183, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1506,1507,1508,1510,1511,1512,1304,1305,1306,
igr2=1308,1309,1308,1309,
&end
#
# 83 ILE MD1 83 ILE HG1+ 2.80 (# 2184:25 Unique 2.31, 2.66 A)
&rst
ixpk= 2184, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1311,1312,1313,
igr2=1308,1309,
&end
#
# 83 ILE HB 83 ILE HG1+ 2.80 (# 2185:25 Unique 2.40, 2.47 A)
&rst
ixpk= 2185, nxpk= 25, iat=1302, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1308,1309,
&end
#
# 83 ILE HN 83 ILE HG1+ 5.50 (# 2186:25 Unique 2.51, 3.53 A)
&rst
ixpk= 2186, nxpk= 25, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1308,1309,
&end
#
# 137 LEU HN 137 LEU HG 4.50 (# 2187:25 Unique 2.45, 3.57 A)
&rst
ixpk= 2187, nxpk= 25, iat=2105,2112, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2188 0 AMB 25-1:2188 3.50 (# 2188:25 Double Ambig)
&rst
ixpk= 2188, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
igr1=2107,1345,
igr2=2112,1369,1370,1371,1373,1374,1375,
&end
#
# 0 AMB 25-2:2189 135 LEU MDX 5.50 (# 2189:25 Single Ambig)
&rst
ixpk= 2189, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=2025,2026,2025,2026,
igr2=2084,2085,2086,2088,2089,2090,
&end
#
# 0 AMB 25-2:2190 0 AMB 25-1:2190 4.50 (# 2190:25 Double Ambig)
&rst
ixpk= 2190, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.14, r4= 8.89,
igr1=2125,2126,2098,2099,2007,
igr2=2112,2084,2085,2086,2088,2089,2090,
&end
#
# 0 AMB 25-2:2191 87 LEU MDX 4.50 (# 2191:25 Single Ambig)
&rst
ixpk= 2191, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1416,1417,1389,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 74 TRP HB+ 5 ILE MD1 5.50 (# 2192:25 Unique 2.19, 4.76 A)
&rst
ixpk= 2192, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1135,1136,
igr2= 78, 79, 80,
&end
#
# 74 TRP HB- 5 ILE MD1 5.50 (# 2193:25 Unique 2.19, 4.76 A)
&rst
ixpk= 2193, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1135,1136,
igr2= 78, 79, 80,
&end
#
# 0 AMB 25-2:2194 5 ILE MD1 5.50 (# 2194:25 Single Ambig)
&rst
ixpk= 2194, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 84, 50,
igr2= 78, 79, 80,
&end
#
# 77 ARG HN 5 ILE MD1 5.50 (# 2195:25 Unique 1.97, 3.90 A)
&rst
ixpk= 2195, nxpk= 25, iat=1188, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 78, 79, 80,
&end
#
# 76 LEU HB- 5 ILE MD1 4.50 (# 2196:25 Unique 3.84, 6.14 A)
&rst
ixpk= 2196, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1173,1174,
igr2= 78, 79, 80,
&end
#
# 104 GLN HG- 5 ILE MD1 4.50 (# 2197:25 Unique 2.45, 5.02 A)
&rst
ixpk= 2197, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1610,1611,
igr2= 78, 79, 80,
&end
#
# 58 THR HB 40 VAL MGX 4.50 (# 2198:25 Unique 2.61, 4.92 A)
&rst
ixpk= 2198, nxpk= 25, iat= 888, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 0 AMB 25-2:2199 40 VAL MGX 3.50 (# 2199:25 Single Ambig)
&rst
ixpk= 2199, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 299, 348,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 76 LEU HA 5 ILE MD1 4.50 (# 2200:25 Unique 2.53, 3.74 A)
&rst
ixpk= 2200, nxpk= 25, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 78, 79, 80,
&end
#
# 0 AMB 25-2:2201 5 ILE MD1 4.50 (# 2201:25 Single Ambig)
&rst
ixpk= 2201, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 67,1596,1597,1596,1597,
igr2= 78, 79, 80,
&end
#
# 5 ILE HG1+ 5 ILE MD1 3.50 (# 2202:25 Unique 2.32, 2.66 A)
&rst
ixpk= 2202, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 75, 76,
igr2= 78, 79, 80,
&end
#
# 0 AMB 25-2:2203 5 ILE MD1 4.50 (# 2203:25 Single Ambig)
&rst
ixpk= 2203, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1603,1615,1616,
igr2= 78, 79, 80,
&end
#
# 0 AMB 25-2:2204 40 VAL MGX 3.50 (# 2204:25 Single Ambig)
&rst
ixpk= 2204, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 306, 307, 902, 903,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 40 VAL HN 40 VAL MGX 3.50 (# 2205:25 Unique 2.16, 3.71 A)
&rst
ixpk= 2205, nxpk= 25, iat= 605, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 5 ILE HG1- 5 ILE MD1 3.50 (# 2206:25 Unique 2.32, 2.66 A)
&rst
ixpk= 2206, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 75, 76,
igr2= 78, 79, 80,
&end
#
# 0 AMB 25-2:2207 5 ILE MD1 3.50 (# 2207:25 Single Ambig)
&rst
ixpk= 2207, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 69,1192,1193,
igr2= 78, 79, 80,
&end
#
# 21 GLU HA 40 VAL MGX 2.80 (# 2208:25 Unique 2.12, 3.59 A)
&rst
ixpk= 2208, nxpk= 25, iat= 301, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 0 AMB 25-2:2210 0 AMB 25-1:2210 3.50 (# 2210:25 Double Ambig)
&rst
ixpk= 2210, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=2125,2126,2098,2099,2098,2099,
igr2=2114,2115,2116,2118,2119,2120,2114,2115,2116,2118,
2119,2120,
&end
#
# 137 LEU HN 0 AMB 25-1:2211 4.50 (# 2211:25 Single Ambig)
&rst
ixpk= 2211, nxpk= 25, iat=2105, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr2=2114,2115,2116,2118,2119,2120,2114,2115,2116,2118,
2119,2120,
&end
#
# 0 AMB 25-2:2214 5 ILE MD1 4.50 (# 2214:25 Single Ambig)
&rst
ixpk= 2214, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1607,1608,1607,1608,
igr2= 78, 79, 80,
&end
#
# 104 GLN HG+ 5 ILE MD1 5.50 (# 2215:25 Unique 2.45, 5.02 A)
&rst
ixpk= 2215, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1610,1611,
igr2= 78, 79, 80,
&end
#
# 0 AMB 25-2:2216 40 VAL MGX 4.50 (# 2216:25 Single Ambig)
&rst
ixpk= 2216, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 287, 295, 912,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 0 AMB 25-2:2217 0 AMB 25-1:2217 2.80 (# 2217:25 Double Ambig)
&rst
ixpk= 2217, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.27, r4= 7.02,
igr1= 230,2079,2080,2079,2080,2079,2080,
igr2= 648, 649, 650, 652, 653, 654,2114,2115,2116,2118,
2119,2120,2114,2115,2116,2118,2119,2120,
&end
#
# 137 LEU HA 0 AMB 25-1:2218 2.80 (# 2218:25 Single Ambig)
&rst
ixpk= 2218, nxpk= 25, iat=2107, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr2=2114,2115,2116,2118,2119,2120,2114,2115,2116,2118,
2119,2120,
&end
#
# 5 ILE HN 5 ILE MD1 5.50 (# 2220:25 Unique 2.17, 4.75 A)
&rst
ixpk= 2220, nxpk= 25, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 78, 79, 80,
&end
#
#
# 60 TRP HD1 40 VAL MGX 4.50 (# 2223:25 Unique 5.06, 7.59 A)
&rst
ixpk= 2223, nxpk= 25, iat= 920, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 0 AMB 25-2:2224 0 AMB 25-1:2224 2.80 (# 2224:25 Double Ambig)
&rst
ixpk= 2224, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 515, 360, 465,
igr2= 522, 523, 524, 526, 527, 528, 522, 523, 524, 526,
527, 528,
&end
#
# 104 GLN HE2- 0 AMB 25-1:2229 3.50 (# 2229:25 Single Ambig)
&rst
ixpk= 2229, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1615,1616,
igr2=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
&end
#
# 0 AMB 25-2:2230 0 AMB 25-1:2230 4.50 (# 2230:25 Double Ambig)
&rst
ixpk= 2230, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1615,1616,1615,1616,
igr2=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
&end
#
# 0 AMB 25-2:2231 0 AMB 25-1:2231 4.50 (# 2231:25 Double Ambig)
&rst
ixpk= 2231, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.14, r4= 8.89,
igr1=2125,2126,2098,2099,2007,
igr2=2112,2084,2085,2086,2088,2089,2090,
&end
#
# 135 LEU HN 0 AMB 25-1:2232 5.50 (# 2232:25 Single Ambig)
&rst
ixpk= 2232, nxpk= 25, iat=2075, -1, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr2=2084,2085,2086,2088,2089,2090,2112,
&end
#
# 0 AMB 25-2:2234 135 LEU MDX 3.50 (# 2234:25 Single Ambig)
&rst
ixpk= 2234, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2077, 821,
igr2=2084,2085,2086,2088,2089,2090,
&end
#
# 48 PHE HD 135 LEU MDX 4.50 (# 2236:25 Unique 2.48, 6.94 A)
&rst
ixpk= 2236, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 742, 750,
igr2=2084,2085,2086,2088,2089,2090,
&end
#
# 0 AMB 25-2:2239 135 LEU MDX 3.50 (# 2239:25 Single Ambig)
&rst
ixpk= 2239, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 685, 686, 738, 739,
igr2=2084,2085,2086,2088,2089,2090,
&end
#
# 136 SER HN 0 AMB 25-1:2243 4.50 (# 2243:25 Single Ambig)
&rst
ixpk= 2243, nxpk= 25, iat=2094, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr2=2084,2085,2086,2088,2089,2090,2112,
&end
#
# 0 AMB 25-2:2245 40 VAL MGX 2.80 (# 2245:25 Single Ambig)
&rst
ixpk= 2245, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 249, 250, 246, 247, 246, 247,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 0 AMB 25-2:2246 0 AMB 25-1:2246 2.80 (# 2246:25 Double Ambig)
&rst
ixpk= 2246, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 886, 644,
igr2= 611, 612, 613, 615, 616, 617, 648, 649, 650, 652,
653, 654,
&end
#
# 17 GLN HA 42 VAL MGY 3.50 (# 2247:25 Unique 2.58, 4.75 A)
&rst
ixpk= 2247, nxpk= 25, iat= 244, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 0 AMB 25-2:2248 0 AMB 25-1:2248 2.80 (# 2248:25 Double Ambig)
&rst
ixpk= 2248, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=2109,2110,2109,2110, 646,
igr2=2114,2115,2116,2118,2119,2120,2114,2115,2116,2118,
2119,2120, 648, 649, 650, 652, 653, 654,
&end
#
# 38 MET HN 40 VAL MGX 5.50 (# 2249:25 Unique 5.31, 7.95 A)
&rst
ixpk= 2249, nxpk= 25, iat= 574, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 21 GLU HB+ 40 VAL MGX 5.50 (# 2250:25 Unique 2.33, 4.96 A)
&rst
ixpk= 2250, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 303, 304,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 0 AMB 25-2:2251 42 VAL MGY 2.80 (# 2251:25 Single Ambig)
&rst
ixpk= 2251, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 658, 242,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 104 GLN HE2- 0 AMB 25-1:2255 3.50 (# 2255:25 Single Ambig)
&rst
ixpk= 2255, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1615,1616,
igr2=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
&end
#
# 76 LEU HN 0 AMB 25-1:2256 4.50 (# 2256:25 Single Ambig)
&rst
ixpk= 2256, nxpk= 25, iat=1169, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr2=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
&end
#
# 0 AMB 25-2:2257 0 AMB 25-1:2257 3.50 (# 2257:25 Double Ambig)
&rst
ixpk= 2257, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 42, 43, 42, 43, 42, 43,
igr2=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
&end
#
# 0 AMB 25-2:2258 0 AMB 25-1:2258 3.50 (# 2258:25 Double Ambig)
&rst
ixpk= 2258, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1615,1616,1615,1616,
igr2=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
&end
#
# 41 TYR HD 42 VAL MGY 4.50 (# 2259:25 Unique 4.84, 7.06 A)
&rst
ixpk= 2259, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 629, 638,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 76 LEU HB- 0 AMB 25-1:2260 2.80 (# 2260:25 Single Ambig)
&rst
ixpk= 2260, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1173,1174,
igr2=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
&end
#
# 76 LEU HG 0 AMB 25-1:2261 2.80 (# 2261:25 Single Ambig)
&rst
ixpk= 2261, nxpk= 25, iat=1176, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr2=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
&end
#
# 76 LEU HA 0 AMB 25-1:2262 2.80 (# 2262:25 Single Ambig)
&rst
ixpk= 2262, nxpk= 25, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr2=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
&end
#
# 0 AMB 25-2:2263 0 AMB 25-1:2263 2.80 (# 2263:25 Double Ambig)
&rst
ixpk= 2263, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.99, r4= 6.74,
igr1=1173,1174,1173,1174,1222,1223,1222,1223,
igr2=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
&end
#
# 3 GLU HB- 0 AMB 25-1:2264 3.50 (# 2264:25 Single Ambig)
&rst
ixpk= 2264, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 39, 40,
igr2=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
&end
#
# 0 AMB 25-2:2265 0 AMB 25-1:2265 5.50 (# 2265:25 Double Ambig)
&rst
ixpk= 2265, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 37,1214,
igr2=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
&end
#
# 0 AMB 25-2:2266 0 AMB 25-1:2266 3.50 (# 2266:25 Double Ambig)
&rst
ixpk= 2266, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 35,1188,
igr2=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
&end
#
# 77 ARG HA 0 AMB 25-1:2267 5.50 (# 2267:25 Single Ambig)
&rst
ixpk= 2267, nxpk= 25, iat=1190, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr2=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
&end
#
# 57 ILE HG1- 57 ILE MG2 4.50 (# 2268:25 Unique 2.51, 3.59 A)
&rst
ixpk= 2268, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 875, 876,
igr2= 871, 872, 873,
&end
#
# 0 AMB 25-2:2269 0 AMB 25-1:2269 4.50 (# 2269:25 Double Ambig)
&rst
ixpk= 2269, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1610,1611,1610,1611,
igr2=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
&end
#
# 0 AMB 25-2:2270 16 VAL MGY 2.80 (# 2270:25 Single Ambig)
&rst
ixpk= 2270, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 230, 213, 214, 213, 214,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 41 TYR HN 57 ILE MG2 4.50 (# 2271:25 Unique 2.05, 3.19 A)
&rst
ixpk= 2271, nxpk= 25, iat= 621, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 871, 872, 873,
&end
#
# 57 ILE HA 57 ILE MG2 5.50 (# 2272:25 Unique 3.69, 3.95 A)
&rst
ixpk= 2272, nxpk= 25, iat= 867, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 871, 872, 873,
&end
#
# 41 TYR HB- 57 ILE MG2 4.50 (# 2273:25 Unique 2.24, 3.55 A)
&rst
ixpk= 2273, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 625, 626,
igr2= 871, 872, 873,
&end
#
# 41 TYR HB+ 57 ILE MG2 4.50 (# 2274:25 Unique 2.24, 3.55 A)
&rst
ixpk= 2274, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 625, 626,
igr2= 871, 872, 873,
&end
#
# 0 AMB 25-2:2275 57 ILE MG2 5.50 (# 2275:25 Single Ambig)
&rst
ixpk= 2275, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 623, 576,
igr2= 871, 872, 873,
&end
#
# 56 VAL HA 57 ILE MG2 5.50 (# 2276:25 Unique 3.85, 5.13 A)
&rst
ixpk= 2276, nxpk= 25, iat= 851, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 871, 872, 873,
&end
#
# 0 AMB 25-2:2277 57 ILE MG2 4.50 (# 2277:25 Single Ambig)
&rst
ixpk= 2277, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 869, 609, 598, 599,
igr2= 871, 872, 873,
&end
#
# 41 TYR HD 57 ILE MG2 4.50 (# 2278:25 Unique 2.48, 5.11 A)
&rst
ixpk= 2278, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 629, 638,
igr2= 871, 872, 873,
&end
#
# 57 ILE HN 57 ILE MG2 4.50 (# 2279:25 Unique 2.21, 3.25 A)
&rst
ixpk= 2279, nxpk= 25, iat= 865, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 871, 872, 873,
&end
#
# 105 TYR HE 16 VAL MGY 2.80 (# 2280:25 Unique 2.97, 5.40 A)
&rst
ixpk= 2280, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1630,1635,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 0 AMB 25-2:2281 57 ILE MG2 4.50 (# 2281:25 Single Ambig)
&rst
ixpk= 2281, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 607,1960,
igr2= 871, 872, 873,
&end
#
# 58 THR HN 57 ILE MG2 5.50 (# 2282:25 Unique 3.49, 4.49 A)
&rst
ixpk= 2282, nxpk= 25, iat= 884, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 871, 872, 873,
&end
#
# 55 CYS HA 65 VAL MGX 4.50 (# 2284:25 Unique 2.34, 4.37 A)
&rst
ixpk= 2284, nxpk= 25, iat= 840, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 16 VAL HA 16 VAL MGY 3.50 (# 2285:25 Unique 2.49, 3.18 A)
&rst
ixpk= 2285, nxpk= 25, iat= 228, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 105 TYR HE 65 VAL MGX 3.50 (# 2286:25 Unique 2.26, 5.77 A)
&rst
ixpk= 2286, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1630,1635,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 56 VAL HN 65 VAL MGX 5.50 (# 2287:25 Unique 2.60, 4.82 A)
&rst
ixpk= 2287, nxpk= 25, iat= 849, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 16 VAL HN 16 VAL MGY 4.50 (# 2288:25 Unique 2.25, 3.87 A)
&rst
ixpk= 2288, nxpk= 25, iat= 226, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 56 VAL MGY 65 VAL MGX 3.50 (# 2290:25 Unique 2.25, 5.59 A)
&rst
ixpk= 2290, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 855, 856, 857, 859, 860, 861,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 20 PHE HD 16 VAL MGY 2.80 (# 2291:25 Unique 2.35, 6.35 A)
&rst
ixpk= 2291, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 287, 295,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 65 VAL HA 65 VAL MGX 5.50 (# 2292:25 Unique 2.37, 3.49 A)
&rst
ixpk= 2292, nxpk= 25, iat= 995, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 0 AMB 25-2:2294 65 VAL MGX 5.50 (# 2294:25 Single Ambig)
&rst
ixpk= 2294, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 831,1641,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 65 VAL HN 65 VAL MGX 3.50 (# 2295:25 Unique 2.49, 3.76 A)
&rst
ixpk= 2295, nxpk= 25, iat= 993, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 65 VAL HB 65 VAL MGX 3.50 (# 2297:25 Unique 2.37, 2.65 A)
&rst
ixpk= 2297, nxpk= 25, iat= 997, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 0 AMB 25-2:2298 65 VAL MGX 5.50 (# 2298:25 Single Ambig)
&rst
ixpk= 2298, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 985,1011,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 56 VAL MGX 65 VAL MGX 4.50 (# 2299:25 Unique 2.25, 5.59 A)
&rst
ixpk= 2299, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 855, 856, 857, 859, 860, 861,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 139 VAL HN 0 AMB 25-1:2302 3.50 (# 2302:25 Single Ambig)
&rst
ixpk= 2302, nxpk= 25, iat=2138, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr2=2144,2145,2146,2148,2149,2150,2144,2145,2146,2148,
2149,2150,
&end
#
# 0 AMB 25-2:2303 0 AMB 25-1:2303 5.50 (# 2303:25 Double Ambig)
&rst
ixpk= 2303, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.77, r4=12.52,
igr1=1891,1892,1891,1892, 976, 977, 976, 977,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 144 VAL HB 144 VAL MGY 2.80 (# 2304:25 Unique 2.35, 2.64 A)
&rst
ixpk= 2304, nxpk= 25, iat=2212, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 0 AMB 25-2:2305 144 VAL MGY 3.50 (# 2305:25 Single Ambig)
&rst
ixpk= 2305, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2210,2192,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 58 THR HN 0 AMB 25-1:2306 4.50 (# 2306:25 Single Ambig)
&rst
ixpk= 2306, nxpk= 25, iat= 884, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 145 PRO HD- 144 VAL MGY 4.50 (# 2307:25 Unique 2.10, 4.60 A)
&rst
ixpk= 2307, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2225,2226,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 0 AMB 25-2:2308 0 AMB 25-1:2308 4.50 (# 2308:25 Double Ambig)
&rst
ixpk= 2308, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1998,1999,1998,1999,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 62 LEU HA 0 AMB 25-1:2309 3.50 (# 2309:25 Single Ambig)
&rst
ixpk= 2309, nxpk= 25, iat= 955, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 0 AMB 25-2:2310 120 ILE MD1 4.50 (# 2310:25 Single Ambig)
&rst
ixpk= 2310, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 567, 568, 592, 593,1861,
igr2=1853,1854,1855,
&end
#
# 0 AMB 25-2:2311 120 ILE MD1 4.50 (# 2311:25 Single Ambig)
&rst
ixpk= 2311, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1831, 565, 576,
igr2=1853,1854,1855,
&end
#
# 145 PRO HD+ 144 VAL MGY 5.50 (# 2312:25 Unique 2.10, 4.60 A)
&rst
ixpk= 2312, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2225,2226,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 0 AMB 25-2:2313 0 AMB 25-1:2313 3.50 (# 2313:25 Double Ambig)
&rst
ixpk= 2313, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1958,1891,1892,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 0 AMB 25-2:2314 0 AMB 25-1:2314 3.50 (# 2314:25 Double Ambig)
&rst
ixpk= 2314, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1937, 953, 658,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 130 CYS HN 0 AMB 25-1:2315 5.50 (# 2315:25 Single Ambig)
&rst
ixpk= 2315, nxpk= 25, iat=1994, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 0 AMB 25-2:2316 120 ILE MD1 4.50 (# 2316:25 Single Ambig)
&rst
ixpk= 2316, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1840,1859,
igr2=1853,1854,1855,
&end
#
# 55 CYS HB- 0 AMB 25-1:2317 5.50 (# 2317:25 Single Ambig)
&rst
ixpk= 2317, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 842, 843,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 0 AMB 25-2:2318 0 AMB 25-1:2318 3.50 (# 2318:25 Double Ambig)
&rst
ixpk= 2318, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1956,1712,2005,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 63 SER HN 0 AMB 25-1:2319 3.50 (# 2319:25 Single Ambig)
&rst
ixpk= 2319, nxpk= 25, iat= 972, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 120 ILE HA 120 ILE MD1 4.50 (# 2320:25 Unique 3.81, 4.69 A)
&rst
ixpk= 2320, nxpk= 25, iat=1842, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1853,1854,1855,
&end
#
# 57 ILE HB 0 AMB 25-1:2322 2.80 (# 2322:25 Single Ambig)
&rst
ixpk= 2322, nxpk= 25, iat= 869, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 0 AMB 25-2:2323 0 AMB 25-1:2323 4.50 (# 2323:25 Double Ambig)
&rst
ixpk= 2323, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1960,1714,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 57 ILE HA 0 AMB 25-1:2324 4.50 (# 2324:25 Single Ambig)
&rst
ixpk= 2324, nxpk= 25, iat= 867, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 56 VAL HN 0 AMB 25-1:2325 4.50 (# 2325:25 Single Ambig)
&rst
ixpk= 2325, nxpk= 25, iat= 849, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 0 AMB 25-2:2326 0 AMB 25-1:2326 2.80 (# 2326:25 Double Ambig)
&rst
ixpk= 2326, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1= 957, 958, 957, 958,1941,1942,1941,1942,1744,1745,
1744,1745,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 39 PRO HD+ 120 ILE MD1 4.50 (# 2327:25 Unique 4.25, 5.94 A)
&rst
ixpk= 2327, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 592, 593,
igr2=1853,1854,1855,
&end
#
# 130 CYS HB- 0 AMB 25-1:2328 4.50 (# 2328:25 Single Ambig)
&rst
ixpk= 2328, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1998,1999,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 0 AMB 25-2:2332 0 AMB 25-1:2332 4.50 (# 2332:25 Double Ambig)
&rst
ixpk= 2332, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
igr1=1719,1720,1719,1720,1719,1720,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 5 ILE HN 5 ILE MG2 5.50 (# 2334:25 Unique 4.24, 4.66 A)
&rst
ixpk= 2334, nxpk= 25, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 71, 72, 73,
&end
#
# 5 ILE HG1- 5 ILE MG2 3.50 (# 2335:25 Unique 2.30, 3.52 A)
&rst
ixpk= 2335, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 75, 76,
igr2= 71, 72, 73,
&end
#
# 74 TRP HB- 5 ILE MG2 5.50 (# 2336:25 Unique 3.04, 4.87 A)
&rst
ixpk= 2336, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1135,1136,
igr2= 71, 72, 73,
&end
#
# 6 ALA HN 5 ILE MG2 3.50 (# 2337:25 Unique 2.58, 3.68 A)
&rst
ixpk= 2337, nxpk= 25, iat= 84, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 71, 72, 73,
&end
#
# 74 TRP HN 5 ILE MG2 5.50 (# 2338:25 Unique 4.10, 5.19 A)
&rst
ixpk= 2338, nxpk= 25, iat=1131, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 71, 72, 73,
&end
#
# 0 AMB 25-2:2340 5 ILE MG2 2.80 (# 2340:25 Single Ambig)
&rst
ixpk= 2340, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.65, r4= 5.40,
igr1= 67,1596,1597,1596,1597, 96, 97,
igr2= 71, 72, 73,
&end
#
# 104 GLN HN 5 ILE MG2 4.50 (# 2341:25 Unique 2.54, 4.20 A)
&rst
ixpk= 2341, nxpk= 25, iat=1603, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 71, 72, 73,
&end
#
# 145 PRO HD+ 144 VAL MGX 5.50 (# 2342:25 Unique 2.10, 4.60 A)
&rst
ixpk= 2342, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2225,2226,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 0 AMB 25-2:2346 144 VAL MGX 3.50 (# 2346:25 Single Ambig)
&rst
ixpk= 2346, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2210,2192,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 144 VAL HB 144 VAL MGX 2.80 (# 2347:25 Unique 2.35, 2.64 A)
&rst
ixpk= 2347, nxpk= 25, iat=2212, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 0 AMB 25-2:2348 0 AMB 25-1:2348 5.50 (# 2348:25 Double Ambig)
&rst
ixpk= 2348, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.77, r4=12.52,
igr1=1891,1892,1891,1892, 976, 977, 976, 977,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 143 ASP HB+ 144 VAL MGX 5.50 (# 2349:25 Unique 3.01, 6.93 A)
&rst
ixpk= 2349, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2200,2201,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 143 ASP HA 144 VAL MGX 5.50 (# 2350:25 Unique 3.54, 5.52 A)
&rst
ixpk= 2350, nxpk= 25, iat=2198, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 144 VAL HN 144 VAL MGX 3.50 (# 2351:25 Unique 1.93, 3.64 A)
&rst
ixpk= 2351, nxpk= 25, iat=2208, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 133 MET ME 0 AMB 25-1:2352 3.50 (# 2352:25 Single Ambig)
&rst
ixpk= 2352, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=2050,2051,2052,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 129 ASP HB- 0 AMB 25-1:2353 5.50 (# 2353:25 Single Ambig)
&rst
ixpk= 2353, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1986,1987,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 0 AMB 25-2:2359 114 LEU HG 4.50 (# 2359:25 Single Ambig)
&rst
ixpk= 2359, nxpk= 25, iat= -1,1761, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1756, 908,
&end
#
# 58 THR HN 0 AMB 25-1:2362 5.50 (# 2362:25 Single Ambig)
&rst
ixpk= 2362, nxpk= 25, iat= 884, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 21 GLU HA 40 VAL MGY 5.50 (# 2364:25 Unique 2.12, 3.59 A)
&rst
ixpk= 2364, nxpk= 25, iat= 301, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 17 GLN HA 40 VAL MGY 4.50 (# 2365:25 Unique 2.31, 4.98 A)
&rst
ixpk= 2365, nxpk= 25, iat= 244, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 0 AMB 25-2:2366 40 VAL MGY 4.50 (# 2366:25 Single Ambig)
&rst
ixpk= 2366, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 299, 348,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 0 AMB 25-2:2367 40 VAL MGY 2.80 (# 2367:25 Single Ambig)
&rst
ixpk= 2367, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 249, 250, 306, 307,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 0 AMB 25-2:2368 40 VAL MGY 2.80 (# 2368:25 Single Ambig)
&rst
ixpk= 2368, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 283, 284, 283, 284,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 0 AMB 25-2:2369 0 AMB 25-1:2369 2.80 (# 2369:25 Double Ambig)
&rst
ixpk= 2369, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1580,1624,1625, 246, 247,
igr2=1582,1583,1584,1586,1587,1588, 611, 612, 613, 615,
616, 617,
&end
#
# 21 GLU HB+ 40 VAL MGY 5.50 (# 2370:25 Unique 2.33, 4.96 A)
&rst
ixpk= 2370, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 303, 304,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 0 AMB 25-2:2371 40 VAL MGY 3.50 (# 2371:25 Single Ambig)
&rst
ixpk= 2371, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 306, 307, 902, 903,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 101 GLY HN 102 VAL MGY 4.50 (# 2372:25 Unique 4.63, 6.60 A)
&rst
ixpk= 2372, nxpk= 25, iat=1569, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 99 LEU MDX 23 ILE MD1 3.50 (# 2373:25 Unique 2.28, 4.88 A)
&rst
ixpk= 2373, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1547,1548,1549,1551,1552,1553,
igr2= 342, 343, 344,
&end
#
# 17 GLN HE2- 40 VAL MGY 4.50 (# 2374:25 Unique 3.20, 6.56 A)
&rst
ixpk= 2374, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 254, 255,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 20 PHE HN 0 AMB 25-1:2375 4.50 (# 2375:25 Single Ambig)
&rst
ixpk= 2375, nxpk= 25, iat= 279, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr2= 611, 612, 613, 615, 616, 617,1582,1583,1584,1586,
1587,1588,
&end
#
# 99 LEU MDY 23 ILE MD1 3.50 (# 2376:25 Unique 2.28, 4.88 A)
&rst
ixpk= 2376, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1547,1548,1549,1551,1552,1553,
igr2= 342, 343, 344,
&end
#
# 20 PHE HD 23 ILE MD1 4.50 (# 2377:25 Unique 3.98, 5.45 A)
&rst
ixpk= 2377, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 287, 295,
igr2= 342, 343, 344,
&end
#
# 0 AMB 25-2:2378 23 ILE MD1 4.50 (# 2378:25 Single Ambig)
&rst
ixpk= 2378, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 329, 269,
igr2= 342, 343, 344,
&end
#
# 24 ALA HN 23 ILE MD1 5.50 (# 2379:25 Unique 4.88, 5.73 A)
&rst
ixpk= 2379, nxpk= 25, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 342, 343, 344,
&end
#
# 23 ILE HB 23 ILE MD1 3.50 (# 2380:25 Unique 2.39, 3.03 A)
&rst
ixpk= 2380, nxpk= 25, iat= 333, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 342, 343, 344,
&end
#
# 20 PHE HA 23 ILE MD1 3.50 (# 2381:25 Unique 2.24, 3.71 A)
&rst
ixpk= 2381, nxpk= 25, iat= 281, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 342, 343, 344,
&end
#
# 23 ILE HA 23 ILE MD1 4.50 (# 2383:25 Unique 4.56, 4.68 A)
&rst
ixpk= 2383, nxpk= 25, iat= 331, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 342, 343, 344,
&end
#
# 20 PHE HN 23 ILE MD1 5.50 (# 2384:25 Unique 3.81, 4.96 A)
&rst
ixpk= 2384, nxpk= 25, iat= 279, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 342, 343, 344,
&end
#
# 150 ARG HN 152 LEU MDX 5.50 (# 2385:25 Unique 4.20, 6.89 A)
&rst
ixpk= 2385, nxpk= 25, iat=2296, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2339,2340,2341,2343,2344,2345,
&end
#
# 0 AMB 25-2:2386 152 LEU MDX 2.80 (# 2386:25 Single Ambig)
&rst
ixpk= 2386, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=2300,2301,2300,2301,
igr2=2339,2340,2341,2343,2344,2345,
&end
#
# 0 AMB 25-2:2391 152 LEU MDX 5.50 (# 2391:25 Single Ambig)
&rst
ixpk= 2391, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=2306,2307,2306,2307,
igr2=2339,2340,2341,2343,2344,2345,
&end
#
# 0 AMB 25-2:2393 152 LEU MDX 5.50 (# 2393:25 Single Ambig)
&rst
ixpk= 2393, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2349,2330,
igr2=2339,2340,2341,2343,2344,2345,
&end
#
# 152 LEU HA 152 LEU MDX 3.50 (# 2394:25 Unique 2.16, 3.73 A)
&rst
ixpk= 2394, nxpk= 25, iat=2332, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2339,2340,2341,2343,2344,2345,
&end
#
# 0 AMB 25-2:2395 0 AMB 25-1:2395 3.50 (# 2395:25 Double Ambig)
&rst
ixpk= 2395, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 605,1592,
igr2= 611, 612, 613, 615, 616, 617,1582,1583,1584,1586,
1587,1588,
&end
#
# 15 GLN HE2- 102 VAL MGY 3.50 (# 2396:25 Unique 3.23, 5.75 A)
&rst
ixpk= 2396, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 221, 222,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 0 AMB 25-2:2397 102 VAL MGY 3.50 (# 2397:25 Single Ambig)
&rst
ixpk= 2397, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 167, 168, 232, 233, 234, 236, 237, 238,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 60 TRP HD1 40 VAL MGY 3.50 (# 2398:25 Unique 5.06, 7.59 A)
&rst
ixpk= 2398, nxpk= 25, iat= 920, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 0 AMB 25-2:2399 0 AMB 25-1:2399 2.80 (# 2399:25 Double Ambig)
&rst
ixpk= 2399, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1= 886,1578,1596,1597,1596,1597,
igr2= 611, 612, 613, 615, 616, 617,1582,1583,1584,1586,
1587,1588,
&end
#
# 102 VAL HN 102 VAL MGY 5.50 (# 2400:25 Unique 2.51, 4.15 A)
&rst
ixpk= 2400, nxpk= 25, iat=1576, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 16 VAL HA 102 VAL MGY 5.50 (# 2401:25 Unique 2.42, 4.69 A)
&rst
ixpk= 2401, nxpk= 25, iat= 228, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 99 LEU HB+ 102 VAL MGY 3.50 (# 2402:25 Unique 2.76, 4.79 A)
&rst
ixpk= 2402, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1542,1543,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 86 GLN HN 87 LEU MDY 5.50 (# 2403:25 Unique 3.81, 6.40 A)
&rst
ixpk= 2403, nxpk= 25, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 0 AMB 25-2:2404 87 LEU MDY 5.50 (# 2404:25 Single Ambig)
&rst
ixpk= 2404, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1435,1324,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 14 ALA HA 13 LYS HG+ 5.50 (# 2405:25 Unique 3.64, 4.43 A)
&rst
ixpk= 2405, nxpk= 25, iat= 201, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 184, 185,
&end
#
# 0 AMB 25-2:2406 0 AMB 25-1:2406 3.50 (# 2406:25 Double Ambig)
&rst
ixpk= 2406, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2298,2351,1416,1417,1395,
igr2=2339,2340,2341,2343,2344,2345,1369,1370,1371,1373,
1374,1375,
&end
#
# 0 AMB 25-2:2407 102 VAL MGY 4.50 (# 2407:25 Single Ambig)
&rst
ixpk= 2407, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 226,1538, 209,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 0 AMB 25-2:2408 0 AMB 25-1:2408 3.50 (# 2408:25 Double Ambig)
&rst
ixpk= 2408, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 179,1380,1381,
igr2= 184, 185,1369,1370,1371,1373,1374,1375,
&end
#
# 94 PHE HE 87 LEU MDY 4.50 (# 2409:25 Unique 2.23, 5.08 A)
&rst
ixpk= 2409, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1476,1480,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 0 AMB 25-2:2410 87 LEU MDY 3.50 (# 2410:25 Single Ambig)
&rst
ixpk= 2410, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1414, 744, 748,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 85 LEU MDY 87 LEU MDY 3.50 (# 2411:25 Unique 2.46, 6.75 A)
&rst
ixpk= 2411, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1333,1334,1335,1337,1338,1339,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 89 TYR HB- 87 LEU MDY 5.50 (# 2412:25 Unique 2.35, 4.61 A)
&rst
ixpk= 2412, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1397,1398,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 0 AMB 25-2:2413 0 AMB 25-1:2413 5.50 (# 2413:25 Double Ambig)
&rst
ixpk= 2413, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 177,1403,1408,
igr2= 184, 185,1369,1370,1371,1373,1374,1375,
&end
#
# 48 PHE HD 87 LEU MDY 4.50 (# 2414:25 Unique 2.56, 7.28 A)
&rst
ixpk= 2414, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 742, 750,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 66 ILE MD1 87 LEU MDY 3.50 (# 2415:25 Unique 2.40, 5.59 A)
&rst
ixpk= 2415, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1022,1023,1024,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 0 AMB 25-2:2416 87 LEU MDY 3.50 (# 2416:25 Single Ambig)
&rst
ixpk= 2416, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1362,1326,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 0 AMB 25-2:2417 0 AMB 25-1:2417 4.50 (# 2417:25 Double Ambig)
&rst
ixpk= 2417, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1360,2349,2330,
igr2=1369,1370,1371,1373,1374,1375,2339,2340,2341,2343,
2344,2345,
&end
#
# 0 AMB 25-2:2418 0 AMB 25-1:2418 3.50 (# 2418:25 Double Ambig)
&rst
ixpk= 2418, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 190, 191, 190, 191, 673, 674,
igr2= 184, 185, 184, 185, 184, 185,
&end
#
# 47 LEU HA 47 LEU HG 5.50 (# 2419:25 Unique 2.57, 2.91 A)
&rst
ixpk= 2419, nxpk= 25, iat= 717, 722, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 LEU MDY 47 LEU HG 3.50 (# 2421:25 Unique 2.40, 2.66 A)
&rst
ixpk= 2421, nxpk= 25, iat= -1, 722, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 724, 725, 726, 728, 729, 730,
&end
#
# 47 LEU MDX 47 LEU HG 3.50 (# 2424:25 Unique 2.40, 2.66 A)
&rst
ixpk= 2424, nxpk= 25, iat= -1, 722, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 724, 725, 726, 728, 729, 730,
&end
#
# 0 AMB 25-2:2427 96 VAL MGY 4.50 (# 2427:25 Single Ambig)
&rst
ixpk= 2427, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1212,1188,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 0 AMB 25-2:2428 96 VAL MGY 2.80 (# 2428:25 Single Ambig)
&rst
ixpk= 2428, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1192,1193,1238,1265,1266,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 79 VAL HA 96 VAL MGY 5.50 (# 2429:25 Unique 2.23, 4.02 A)
&rst
ixpk= 2429, nxpk= 25, iat=1236, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 81 GLU HN 96 VAL MGY 4.50 (# 2430:25 Unique 3.53, 4.85 A)
&rst
ixpk= 2430, nxpk= 25, iat=1261, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 0 AMB 25-2:2431 96 VAL MGY 2.80 (# 2431:25 Single Ambig)
&rst
ixpk= 2431, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1=1504,1607,1608,1607,1608,1265,1266,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 95 THR HA 96 VAL MGY 4.50 (# 2432:25 Unique 3.79, 5.78 A)
&rst
ixpk= 2432, nxpk= 25, iat=1488, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 0 AMB 25-2:2433 96 VAL MGY 2.80 (# 2433:25 Single Ambig)
&rst
ixpk= 2433, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1500,1516,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 47 LEU HB+ 47 LEU HG 2.80 (# 2434:25 Unique 2.48, 2.79 A)
&rst
ixpk= 2434, nxpk= 25, iat= -1, 722, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 719, 720,
&end
#
# 96 VAL HA 96 VAL MGY 2.80 (# 2435:25 Unique 2.43, 3.17 A)
&rst
ixpk= 2435, nxpk= 25, iat=1502, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 0 AMB 25-2:2437 96 VAL MGY 4.50 (# 2437:25 Single Ambig)
&rst
ixpk= 2437, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1198,1199,1198,1199,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 154 PHE HD 0 AMB 25-1:2438 5.50 (# 2438:25 Single Ambig)
&rst
ixpk= 2438, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1=2376,2384,
igr2=2358,2359,2360,2362,2363,2364,2356,
&end
#
# 0 AMB 25-2:2439 96 VAL MGY 5.50 (# 2439:25 Single Ambig)
&rst
ixpk= 2439, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1278,1605,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 80 SER HN 96 VAL MGY 5.50 (# 2440:25 Unique 3.72, 5.11 A)
&rst
ixpk= 2440, nxpk= 25, iat=1250, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 47 LEU HB- 47 LEU HG 3.50 (# 2441:25 Unique 2.48, 2.79 A)
&rst
ixpk= 2441, nxpk= 25, iat= -1, 722, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 719, 720,
&end
#
# 106 LEU HG 96 VAL MGY 2.80 (# 2442:25 Unique 2.72, 4.60 A)
&rst
ixpk= 2442, nxpk= 25, iat=1648, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 73 LEU HN 0 AMB 25-1:2444 4.50 (# 2444:25 Single Ambig)
&rst
ixpk= 2444, nxpk= 25, iat=1112, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr2=1121,1122,1123,1125,1126,1127,1121,1122,1123,1125,
1126,1127,
&end
#
# 0 AMB 25-2:2445 0 AMB 25-1:2445 2.80 (# 2445:25 Double Ambig)
&rst
ixpk= 2445, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1= 54, 55, 54, 55, 54, 55,2300,2301,
igr2=1121,1122,1123,1125,1126,1127,1121,1122,1123,1125,
1126,1127,2339,2340,2341,2343,2344,2345,
&end
#
# 0 AMB 25-2:2447 96 VAL MGY 5.50 (# 2447:25 Single Ambig)
&rst
ixpk= 2447, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1518,1519,1190,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 0 AMB 25-2:2448 0 AMB 25-1:2448 3.50 (# 2448:25 Double Ambig)
&rst
ixpk= 2448, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.01, r4= 8.76,
igr1=1439,1440, 57, 58, 57, 58, 57, 58,
igr2=1369,1370,1371,1373,1374,1375,1121,1122,1123,1125,
1126,1127,1121,1122,1123,1125,1126,1127,
&end
#
# 0 AMB 25-2:2449 0 AMB 25-1:2449 2.80 (# 2449:25 Double Ambig)
&rst
ixpk= 2449, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 86,1362,
igr2=1121,1122,1123,1125,1126,1127,1121,1122,1123,1125,
1126,1127,1369,1370,1371,1373,1374,1375,
&end
#
# 0 AMB 25-2:2450 0 AMB 25-1:2450 3.50 (# 2450:25 Double Ambig)
&rst
ixpk= 2450, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.49, r4= 8.24,
igr1=1360,2349, 94,2330,
igr2=1369,1370,1371,1373,1374,1375,2339,2340,2341,2343,
2344,2345,1121,1122,1123,1125,1126,1127,1121,1122,
1123,1125,1126,1127,
&end
#
# 5 ILE HN 0 AMB 25-1:2451 5.50 (# 2451:25 Single Ambig)
&rst
ixpk= 2451, nxpk= 25, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr2=1121,1122,1123,1125,1126,1127,1121,1122,1123,1125,
1126,1127,
&end
#
# 0 AMB 25-2:2452 0 AMB 25-1:2452 2.80 (# 2452:25 Double Ambig)
&rst
ixpk= 2452, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=2332, 96, 97, 96, 97,
igr2=2339,2340,2341,2343,2344,2345,1121,1122,1123,1125,
1126,1127,1121,1122,1123,1125,1126,1127,
&end
#
# 73 LEU HA 0 AMB 25-1:2453 2.80 (# 2453:25 Single Ambig)
&rst
ixpk= 2453, nxpk= 25, iat=1114, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr2=1121,1122,1123,1125,1126,1127,1121,1122,1123,1125,
1126,1127,
&end
#
# 0 AMB 25-2:2454 0 AMB 25-1:2454 5.50 (# 2454:25 Double Ambig)
&rst
ixpk= 2454, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 84,2296,
igr2=1121,1122,1123,1125,1126,1127,1121,1122,1123,1125,
1126,1127,2339,2340,2341,2343,2344,2345,
&end
#
# 74 TRP HN 0 AMB 25-1:2455 4.50 (# 2455:25 Single Ambig)
&rst
ixpk= 2455, nxpk= 25, iat=1131, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr2=1121,1122,1123,1125,1126,1127,1121,1122,1123,1125,
1126,1127,
&end
#
# 153 LEU HA 153 LEU MDX 4.50 (# 2456:25 Unique 2.19, 4.00 A)
&rst
ixpk= 2456, nxpk= 25, iat=2351, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 52 TRP HN 47 LEU HG 5.50 (# 2459:25 Unique 5.50, 5.52 A)
&rst
ixpk= 2459, nxpk= 25, iat= 793, 722, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2460 57 ILE MD1 5.50 (# 2460:25 Single Ambig)
&rst
ixpk= 2460, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 607,1960,
igr2= 878, 879, 880,
&end
#
# 0 AMB 25-2:2461 57 ILE MD1 5.50 (# 2461:25 Single Ambig)
&rst
ixpk= 2461, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1889,1937, 953,
igr2= 878, 879, 880,
&end
#
# 0 AMB 25-2:2462 57 ILE MD1 3.50 (# 2462:25 Single Ambig)
&rst
ixpk= 2462, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 869,1878,1879,
igr2= 878, 879, 880,
&end
#
# 58 THR HN 57 ILE MD1 5.50 (# 2463:25 Unique 2.61, 4.76 A)
&rst
ixpk= 2463, nxpk= 25, iat= 884, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 878, 879, 880,
&end
#
# 123 GLY HA+ 57 ILE MD1 4.50 (# 2464:25 Unique 2.07, 3.40 A)
&rst
ixpk= 2464, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1891,1892,
igr2= 878, 879, 880,
&end
#
# 0 AMB 25-2:2465 57 ILE MD1 4.50 (# 2465:25 Single Ambig)
&rst
ixpk= 2465, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1891,1892,1741,1742,
igr2= 878, 879, 880,
&end
#
# 57 ILE HA 57 ILE MD1 5.50 (# 2466:25 Unique 3.52, 4.49 A)
&rst
ixpk= 2466, nxpk= 25, iat= 867, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 878, 879, 880,
&end
#
# 0 AMB 25-2:2467 0 AMB 25-1:2467 3.50 (# 2467:25 Double Ambig)
&rst
ixpk= 2467, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.22, r4= 8.97,
igr1=1917,1918,1917,1918,1917,1918,1744,1745,1744,1745,
957, 958, 957, 958,
igr2=1946,1947,1948,1950,1951,1952,1946,1947,1948,1950,
1951,1952,
&end
#
# 0 AMB 25-2:2470 134 ILE MD1 3.50 (# 2470:25 Single Ambig)
&rst
ixpk= 2470, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 823, 824, 825, 987, 988, 989,
igr2=2069,2070,2071,
&end
#
# 126 LEU HA 0 AMB 25-1:2472 3.50 (# 2472:25 Single Ambig)
&rst
ixpk= 2472, nxpk= 25, iat=1939, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr2=1946,1947,1948,1950,1951,1952,1946,1947,1948,1950,
1951,1952,
&end
#
# 0 AMB 25-2:2474 0 AMB 25-1:2474 5.50 (# 2474:25 Double Ambig)
&rst
ixpk= 2474, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=1891,1892,1891,1892,
igr2=1946,1947,1948,1950,1951,1952,1946,1947,1948,1950,
1951,1952,
&end
#
# 135 LEU MDY 134 ILE MD1 5.50 (# 2475:25 Unique 3.20, 6.70 A)
&rst
ixpk= 2475, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=2084,2085,2086,2088,2089,2090,
igr2=2069,2070,2071,
&end
#
# 0 AMB 25-2:2476 0 AMB 25-1:2476 5.50 (# 2476:25 Double Ambig)
&rst
ixpk= 2476, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=1998,1999,1998,1999,
igr2=1946,1947,1948,1950,1951,1952,1946,1947,1948,1950,
1951,1952,
&end
#
# 53 THR HB 134 ILE MD1 5.50 (# 2477:25 Unique 2.44, 4.59 A)
&rst
ixpk= 2477, nxpk= 25, iat= 821, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2069,2070,2071,
&end
#
# 134 ILE HG1- 134 ILE MD1 2.80 (# 2478:25 Unique 2.35, 2.66 A)
&rst
ixpk= 2478, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2066,2067,
igr2=2069,2070,2071,
&end
#
# 131 ALA HA 134 ILE MD1 5.50 (# 2479:25 Unique 2.78, 4.40 A)
&rst
ixpk= 2479, nxpk= 25, iat=2007, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2069,2070,2071,
&end
#
# 130 CYS HB- 111 MET ME 5.50 (# 2480:25 Unique 2.43, 4.68 A)
&rst
ixpk= 2480, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1998,1999,
igr2=1723,1724,1725,
&end
#
# 0 AMB 25-2:2481 111 MET ME 4.50 (# 2481:25 Single Ambig)
&rst
ixpk= 2481, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1695,1684,
igr2=1723,1724,1725,
&end
#
# 110 LEU HN 111 MET ME 5.50 (# 2482:25 Unique 4.29, 5.78 A)
&rst
ixpk= 2482, nxpk= 25, iat=1693, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1723,1724,1725,
&end
#
# 130 CYS HB+ 111 MET ME 5.50 (# 2484:25 Unique 2.43, 4.68 A)
&rst
ixpk= 2484, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1998,1999,
igr2=1723,1724,1725,
&end
#
# 0 AMB 25-2:2487 111 MET ME 5.50 (# 2487:25 Single Ambig)
&rst
ixpk= 2487, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 974, 955,
igr2=1723,1724,1725,
&end
#
# 62 LEU HB+ 111 MET ME 4.50 (# 2488:25 Unique 2.50, 4.48 A)
&rst
ixpk= 2488, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 957, 958,
igr2=1723,1724,1725,
&end
#
# 0 AMB 25-2:2489 111 MET ME 2.80 (# 2489:25 Single Ambig)
&rst
ixpk= 2489, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 960,1697,1698,1697,1698,1944,
igr2=1723,1724,1725,
&end
#
# 62 LEU HB- 111 MET ME 2.80 (# 2491:25 Unique 2.50, 4.48 A)
&rst
ixpk= 2491, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 957, 958,
igr2=1723,1724,1725,
&end
#
# 0 AMB 25-2:2492 0 AMB 25-1:2492 4.50 (# 2492:25 Double Ambig)
&rst
ixpk= 2492, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 576,1831,
igr2=1846,1847,1848, 585, 586, 587,
&end
#
# 0 AMB 25-2:2493 0 AMB 25-1:2493 3.50 (# 2493:25 Double Ambig)
&rst
ixpk= 2493, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1842,1891,1892,
igr2=1846,1847,1848, 585, 586, 587,
&end
#
# 0 AMB 25-2:2494 120 ILE MG2 4.50 (# 2494:25 Single Ambig)
&rst
ixpk= 2494, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 598, 599,1866,1867,
igr2=1846,1847,1848,
&end
#
# 124 GLN HE2+ 120 ILE MG2 5.50 (# 2495:25 Unique 2.35, 5.00 A)
&rst
ixpk= 2495, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1908,1909,
igr2=1846,1847,1848,
&end
#
# 124 GLN HE2- 120 ILE MG2 5.50 (# 2496:25 Unique 2.35, 5.00 A)
&rst
ixpk= 2496, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1908,1909,
igr2=1846,1847,1848,
&end
#
# 0 AMB 25-2:2497 0 AMB 25-1:2497 4.50 (# 2497:25 Double Ambig)
&rst
ixpk= 2497, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 592, 593, 592, 593,
igr2=1846,1847,1848, 585, 586, 587,
&end
#
# 0 AMB 25-2:2498 0 AMB 25-1:2498 5.50 (# 2498:25 Double Ambig)
&rst
ixpk= 2498, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 574,1896,
igr2=1846,1847,1848, 585, 586, 587,
&end
#
# 120 ILE HN 120 ILE MG2 3.50 (# 2499:25 Unique 2.02, 4.14 A)
&rst
ixpk= 2499, nxpk= 25, iat=1840, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1846,1847,1848,
&end
#
# 39 PRO HB- 120 ILE MG2 3.50 (# 2500:25 Unique 2.38, 5.55 A)
&rst
ixpk= 2500, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 598, 599,
igr2=1846,1847,1848,
&end
#
# 0 AMB 25-2:2501 0 AMB 25-1:2501 3.50 (# 2501:25 Double Ambig)
&rst
ixpk= 2501, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.60, r4= 7.35,
igr1= 592, 593,2058, 567, 568,
igr2=1846,1847,1848,2062,2063,2064, 585, 586, 587,
&end
#
# 0 AMB 25-2:2502 0 AMB 25-1:2502 2.80 (# 2502:25 Double Ambig)
&rst
ixpk= 2502, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.34, r4= 7.09,
igr1=1816,1817, 595, 596, 595, 596,2050,2051,2052,2060,
1903,1904,1446,1447,1448,
igr2= 585, 586, 587,1846,1847,1848,2062,2063,2064,
&end
#
# 134 ILE HN 134 ILE MG2 4.50 (# 2503:25 Unique 2.34, 3.46 A)
&rst
ixpk= 2503, nxpk= 25, iat=2056, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2062,2063,2064,
&end
#
# 104 GLN HE2- 96 VAL MGX 5.50 (# 2504:25 Unique 4.10, 6.56 A)
&rst
ixpk= 2504, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1615,1616,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 81 GLU HN 96 VAL MGX 4.50 (# 2505:25 Unique 3.53, 4.85 A)
&rst
ixpk= 2505, nxpk= 25, iat=1261, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 0 AMB 25-2:2506 96 VAL MGX 2.80 (# 2506:25 Single Ambig)
&rst
ixpk= 2506, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1=1504,1607,1608,1607,1608,1265,1266,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 79 VAL HA 96 VAL MGX 3.50 (# 2507:25 Unique 2.23, 4.02 A)
&rst
ixpk= 2507, nxpk= 25, iat=1236, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 96 VAL HA 96 VAL MGX 2.80 (# 2508:25 Unique 2.43, 3.17 A)
&rst
ixpk= 2508, nxpk= 25, iat=1502, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 104 GLN HE2+ 96 VAL MGX 5.50 (# 2509:25 Unique 4.10, 6.56 A)
&rst
ixpk= 2509, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1615,1616,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 0 AMB 25-2:2510 96 VAL MGX 3.50 (# 2510:25 Single Ambig)
&rst
ixpk= 2510, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1212,1188,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 0 AMB 25-2:2511 96 VAL MGX 2.80 (# 2511:25 Single Ambig)
&rst
ixpk= 2511, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1500,1516,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 0 AMB 25-2:2512 0 AMB 25-1:2512 5.50 (# 2512:25 Double Ambig)
&rst
ixpk= 2512, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.00, r4=12.75,
igr1=1446,1447,1448,1675,1676,1675,1676,1716,1717,
igr2=1702,1703,1704,1706,1707,1708,1702,1703,1704,1706,
1707,1708,
&end
#
# 80 SER HN 96 VAL MGX 3.50 (# 2514:25 Unique 3.72, 5.11 A)
&rst
ixpk= 2514, nxpk= 25, iat=1250, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 110 LEU HG 0 AMB 25-1:2516 2.80 (# 2516:25 Single Ambig)
&rst
ixpk= 2516, nxpk= 25, iat=1700, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr2=1702,1703,1704,1706,1707,1708,1702,1703,1704,1706,
1707,1708,
&end
#
# 0 AMB 25-2:2521 0 AMB 25-1:2521 5.50 (# 2521:25 Double Ambig)
&rst
ixpk= 2521, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 957, 958, 957, 958,
igr2=1702,1703,1704,1706,1707,1708,1702,1703,1704,1706,
1707,1708,
&end
#
# 0 AMB 25-2:2522 0 AMB 25-1:2522 4.50 (# 2522:25 Double Ambig)
&rst
ixpk= 2522, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
igr1=1716,1717,1716,1717,2043,2044,
igr2=1702,1703,1704,1706,1707,1708,1702,1703,1704,1706,
1707,1708,
&end
#
# 94 PHE HN 83 ILE MG2 5.50 (# 2526:25 Unique 4.33, 5.53 A)
&rst
ixpk= 2526, nxpk= 25, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1304,1305,1306,
&end
#
# 85 LEU MDY 83 ILE MG2 4.50 (# 2527:25 Unique 2.43, 5.13 A)
&rst
ixpk= 2527, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1333,1334,1335,1337,1338,1339,
igr2=1304,1305,1306,
&end
#
# 106 LEU MDX 83 ILE MG2 3.50 (# 2528:25 Unique 2.37, 5.41 A)
&rst
ixpk= 2528, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1650,1651,1652,1654,1655,1656,
igr2=1304,1305,1306,
&end
#
# 0 AMB 25-2:2529 0 AMB 25-1:2529 2.80 (# 2529:25 Double Ambig)
&rst
ixpk= 2529, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1308,1309,1369,1370,1371,1373,1374,1375,
igr2=1304,1305,1306,2062,2063,2064,
&end
#
# 0 AMB 25-2:2530 83 ILE MG2 2.80 (# 2530:25 Single Ambig)
&rst
ixpk= 2530, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1302,1195,1196,
igr2=1304,1305,1306,
&end
#
# 84 GLY HN 83 ILE MG2 3.50 (# 2531:25 Unique 3.03, 3.74 A)
&rst
ixpk= 2531, nxpk= 25, iat=1317, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1304,1305,1306,
&end
#
# 83 ILE HN 83 ILE MG2 4.50 (# 2532:25 Unique 4.28, 4.67 A)
&rst
ixpk= 2532, nxpk= 25, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1304,1305,1306,
&end
#
# 83 ILE HG1- 83 ILE MG2 2.80 (# 2533:25 Unique 2.27, 3.48 A)
&rst
ixpk= 2533, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1308,1309,
igr2=1304,1305,1306,
&end
#
# 82 LYS HA 83 ILE MG2 5.50 (# 2534:25 Unique 6.14, 6.53 A)
&rst
ixpk= 2534, nxpk= 25, iat=1278, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1304,1305,1306,
&end
#
# 85 LEU HN 83 ILE MG2 5.50 (# 2535:25 Unique 3.91, 5.73 A)
&rst
ixpk= 2535, nxpk= 25, iat=1324, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1304,1305,1306,
&end
#
# 0 AMB 25-2:2536 0 AMB 25-1:2536 3.50 (# 2536:25 Double Ambig)
&rst
ixpk= 2536, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1331, 987, 988, 989,
igr2=1304,1305,1306,2062,2063,2064,
&end
#
# 83 ILE HA 83 ILE MG2 3.50 (# 2537:25 Unique 2.48, 3.15 A)
&rst
ixpk= 2537, nxpk= 25, iat=1300, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1304,1305,1306,
&end
#
# 0 AMB 25-2:2538 83 ILE MG2 5.50 (# 2538:25 Single Ambig)
&rst
ixpk= 2538, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1470,1471,1198,1199,1198,1199,
igr2=1304,1305,1306,
&end
#
# 89 TYR HD 134 ILE MG2 5.50 (# 2539:25 Unique 2.77, 4.65 A)
&rst
ixpk= 2539, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1401,1410,
igr2=2062,2063,2064,
&end
#
# 16 VAL HB 42 VAL MGX 2.80 (# 2540:25 Unique 2.31, 3.80 A)
&rst
ixpk= 2540, nxpk= 25, iat= 230, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 0 AMB 25-2:2541 42 VAL MGX 5.50 (# 2541:25 Single Ambig)
&rst
ixpk= 2541, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 254, 255, 631, 636,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 0 AMB 25-2:2542 0 AMB 25-1:2542 2.80 (# 2542:25 Double Ambig)
&rst
ixpk= 2542, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1758,1759,1758,1759,
igr2=1763,1764,1765,1767,1768,1769,1763,1764,1765,1767,
1768,1769,
&end
#
# 0 AMB 25-2:2543 0 AMB 25-1:2543 5.50 (# 2543:25 Double Ambig)
&rst
ixpk= 2543, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 201,1252,
igr2= 648, 649, 650, 652, 653, 654,1506,1507,1508,1510,
1511,1512,
&end
#
# 13 LYS HN 42 VAL MGX 5.50 (# 2544:25 Unique 4.77, 6.48 A)
&rst
ixpk= 2544, nxpk= 25, iat= 177, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 0 AMB 25-2:2545 42 VAL MGX 2.80 (# 2545:25 Single Ambig)
&rst
ixpk= 2545, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 246, 247, 246, 247, 249, 250,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 56 VAL HA 42 VAL MGX 4.50 (# 2546:25 Unique 2.69, 4.08 A)
&rst
ixpk= 2546, nxpk= 25, iat= 851, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 0 AMB 25-2:2547 0 AMB 25-1:2547 2.80 (# 2547:25 Double Ambig)
&rst
ixpk= 2547, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 646,1648,
igr2= 648, 649, 650, 652, 653, 654,1506,1507,1508,1510,
1511,1512,
&end
#
# 0 AMB 25-2:2548 0 AMB 25-1:2548 2.80 (# 2548:25 Double Ambig)
&rst
ixpk= 2548, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1756, 644,
igr2=1763,1764,1765,1767,1768,1769,1763,1764,1765,1767,
1768,1769, 648, 649, 650, 652, 653, 654,
&end
#
# 0 AMB 25-2:2549 42 VAL MGX 4.50 (# 2549:25 Single Ambig)
&rst
ixpk= 2549, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 673, 674, 997,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 16 VAL HA 42 VAL MGX 5.50 (# 2550:25 Unique 4.53, 6.26 A)
&rst
ixpk= 2550, nxpk= 25, iat= 228, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 16 VAL MGX 42 VAL MGX 5.50 (# 2551:25 Unique 2.42, 5.10 A)
&rst
ixpk= 2551, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 232, 233, 234, 236, 237, 238,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 0 AMB 25-2:2552 42 VAL MGX 4.50 (# 2552:25 Single Ambig)
&rst
ixpk= 2552, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 190, 191, 190, 191, 673, 674,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 13 LYS HA 42 VAL MGX 3.50 (# 2553:25 Unique 2.21, 3.93 A)
&rst
ixpk= 2553, nxpk= 25, iat= 179, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 115 SER HN 0 AMB 25-1:2554 5.50 (# 2554:25 Single Ambig)
&rst
ixpk= 2554, nxpk= 25, iat=1773, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr2=1763,1764,1765,1767,1768,1769,1763,1764,1765,1767,
1768,1769,
&end
#
# 17 GLN HA 42 VAL MGX 3.50 (# 2556:25 Unique 2.58, 4.75 A)
&rst
ixpk= 2556, nxpk= 25, iat= 244, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 42 VAL HN 42 VAL MGX 3.50 (# 2557:25 Unique 2.22, 4.24 A)
&rst
ixpk= 2557, nxpk= 25, iat= 642, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 20 PHE HD 42 VAL MGX 5.50 (# 2558:25 Unique 4.48, 7.97 A)
&rst
ixpk= 2558, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 287, 295,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 0 AMB 25-2:2559 42 VAL MGX 2.80 (# 2559:25 Single Ambig)
&rst
ixpk= 2559, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 658, 242,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 57 ILE HN 42 VAL MGX 5.50 (# 2561:25 Unique 3.69, 5.50 A)
&rst
ixpk= 2561, nxpk= 25, iat= 865, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 99 LEU HB+ 102 VAL MGX 2.80 (# 2563:25 Unique 2.76, 4.79 A)
&rst
ixpk= 2563, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1542,1543,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 15 GLN HA 102 VAL MGX 5.50 (# 2564:25 Unique 3.87, 5.64 A)
&rst
ixpk= 2564, nxpk= 25, iat= 211, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 0 AMB 25-2:2565 102 VAL MGX 5.50 (# 2565:25 Single Ambig)
&rst
ixpk= 2565, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 226, 209,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 0 AMB 25-2:2566 102 VAL MGX 2.80 (# 2566:25 Single Ambig)
&rst
ixpk= 2566, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 273, 274, 275,1542,1543,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 101 GLY HA- 102 VAL MGX 5.50 (# 2567:25 Unique 3.62, 6.05 A)
&rst
ixpk= 2567, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1571,1572,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 102 VAL HN 102 VAL MGX 3.50 (# 2569:25 Unique 2.51, 4.15 A)
&rst
ixpk= 2569, nxpk= 25, iat=1576, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 0 AMB 25-2:2570 102 VAL MGX 2.80 (# 2570:25 Single Ambig)
&rst
ixpk= 2570, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1578,1596,1597,1596,1597,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 15 GLN HG- 102 VAL MGX 4.50 (# 2571:25 Unique 3.13, 5.84 A)
&rst
ixpk= 2571, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 216, 217,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 0 AMB 25-2:2572 102 VAL MGX 5.50 (# 2572:25 Single Ambig)
&rst
ixpk= 2572, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1624,1625, 216, 217,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 103 SER HN 102 VAL MGX 3.50 (# 2573:25 Unique 2.19, 3.95 A)
&rst
ixpk= 2573, nxpk= 25, iat=1592, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 0 AMB 25-2:2574 102 VAL MGX 4.50 (# 2574:25 Single Ambig)
&rst
ixpk= 2574, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 167, 168, 232, 233, 234, 236, 237, 238,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 16 VAL HA 102 VAL MGX 4.50 (# 2575:25 Unique 2.42, 4.69 A)
&rst
ixpk= 2575, nxpk= 25, iat= 228, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 0 AMB 25-2:2576 102 VAL MGX 2.80 (# 2576:25 Single Ambig)
&rst
ixpk= 2576, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1580,1624,1625,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 15 GLN HE2- 102 VAL MGX 5.50 (# 2577:25 Unique 3.23, 5.75 A)
&rst
ixpk= 2577, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 221, 222,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 15 GLN HE2+ 102 VAL MGX 5.50 (# 2578:25 Unique 3.23, 5.75 A)
&rst
ixpk= 2578, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 221, 222,
igr2=1582,1583,1584,1586,1587,1588,
&end
#
# 83 ILE HG1+ 83 ILE MD1 3.50 (# 2579:25 Unique 2.31, 2.66 A)
&rst
ixpk= 2579, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1308,1309,
igr2=1311,1312,1313,
&end
#
# 83 ILE HG1- 83 ILE MD1 3.50 (# 2580:25 Unique 2.31, 2.66 A)
&rst
ixpk= 2580, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1308,1309,
igr2=1311,1312,1313,
&end
#
# 0 AMB 25-2:2581 83 ILE MD1 3.50 (# 2581:25 Single Ambig)
&rst
ixpk= 2581, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1302,1648,
igr2=1311,1312,1313,
&end
#
# 0 AMB 25-2:2582 83 ILE MD1 5.50 (# 2582:25 Single Ambig)
&rst
ixpk= 2582, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1198,1199,1198,1199,
igr2=1311,1312,1313,
&end
#
# 83 ILE HN 83 ILE MD1 5.50 (# 2583:25 Unique 2.89, 4.53 A)
&rst
ixpk= 2583, nxpk= 25, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1311,1312,1313,
&end
#
# 83 ILE HA 83 ILE MD1 4.50 (# 2584:25 Unique 2.26, 3.27 A)
&rst
ixpk= 2584, nxpk= 25, iat=1300, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1311,1312,1313,
&end
#
# 81 GLU HG- 83 ILE MD1 5.50 (# 2585:25 Unique 2.94, 6.60 A)
&rst
ixpk= 2585, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1268,1269,
igr2=1311,1312,1313,
&end
#
# 84 GLY HN 83 ILE MD1 5.50 (# 2586:25 Unique 4.29, 5.26 A)
&rst
ixpk= 2586, nxpk= 25, iat=1317, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1311,1312,1313,
&end
#
# 0 AMB 25-2:2587 83 ILE MD1 5.50 (# 2587:25 Single Ambig)
&rst
ixpk= 2587, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1280,1281,1283,1284,
igr2=1311,1312,1313,
&end
#
# 0 AMB 25-2:2589 83 ILE MD1 5.50 (# 2589:25 Single Ambig)
&rst
ixpk= 2589, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1192,1193,1265,1266,
igr2=1311,1312,1313,
&end
#
# 51 GLN HE2+ 85 LEU MDX 5.50 (# 2590:25 Unique 2.62, 5.25 A)
&rst
ixpk= 2590, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 788, 789,
igr2=1333,1334,1335,1337,1338,1339,
&end
#
# 0 AMB 25-2:2591 0 AMB 25-1:2591 2.80 (# 2591:25 Double Ambig)
&rst
ixpk= 2591, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25,
igr1=1015,1016,1017,1019,1020,1308,1309,1369,1370,1371,
1373,1374,1375,
igr2=1333,1334,1335,1337,1338,1339,1650,1651,1652,1654,
1655,1656,
&end
#
# 0 AMB 25-2:2592 0 AMB 25-1:2592 3.50 (# 2592:25 Double Ambig)
&rst
ixpk= 2592, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1019,1020,1308,1309,
igr2=1333,1334,1335,1337,1338,1339,1650,1651,1652,1654,
1655,1656,
&end
#
# 0 AMB 25-2:2593 85 LEU MDX 2.80 (# 2593:25 Single Ambig)
&rst
ixpk= 2593, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1331, 761, 762, 758, 759,
igr2=1333,1334,1335,1337,1338,1339,
&end
#
# 85 LEU HA 85 LEU MDX 2.80 (# 2594:25 Unique 2.17, 3.79 A)
&rst
ixpk= 2594, nxpk= 25, iat=1326, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1333,1334,1335,1337,1338,1339,
&end
#
# 0 AMB 25-2:2595 0 AMB 25-1:2595 3.50 (# 2595:25 Double Ambig)
&rst
ixpk= 2595, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1343,1641,
igr2=1333,1334,1335,1337,1338,1339,1650,1651,1652,1654,
1655,1656,
&end
#
# 0 AMB 25-2:2596 0 AMB 25-1:2596 5.50 (# 2596:25 Double Ambig)
&rst
ixpk= 2596, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
igr1= 758, 759,1364,1365,1192,1193,
igr2=1333,1334,1335,1337,1338,1339,1650,1651,1652,1654,
1655,1656,
&end
#
# 94 PHE HE 85 LEU MDX 5.50 (# 2597:25 Unique 2.91, 6.36 A)
&rst
ixpk= 2597, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1476,1480,
igr2=1333,1334,1335,1337,1338,1339,
&end
#
# 0 AMB 25-2:2598 85 LEU MDX 4.50 (# 2598:25 Single Ambig)
&rst
ixpk= 2598, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1347,1348,1347,1348, 780, 781,
igr2=1333,1334,1335,1337,1338,1339,
&end
#
# 94 PHE HD 0 AMB 25-1:2599 5.50 (# 2599:25 Single Ambig)
&rst
ixpk= 2599, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1474,1482,
igr2=1333,1334,1335,1337,1338,1339,1650,1651,1652,1654,
1655,1656,
&end
#
# 94 PHE HD 0 AMB 25-1:2601 5.50 (# 2601:25 Single Ambig)
&rst
ixpk= 2601, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1474,1482,
igr2=1333,1334,1335,1337,1338,1339,1650,1651,1652,1654,
1655,1656,
&end
#
# 107 SER HN 106 LEU MDY 4.50 (# 2602:25 Unique 3.28, 5.59 A)
&rst
ixpk= 2602, nxpk= 25, iat=1660, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1650,1651,1652,1654,1655,1656,
&end
#
# 0 AMB 25-2:2603 0 AMB 25-1:2603 2.80 (# 2603:25 Double Ambig)
&rst
ixpk= 2603, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1=1645,1646,1648,1645,1646,1013,
igr2=1650,1651,1652,1654,1655,1656,1333,1334,1335,1337,
1338,1339,
&end
#
# 0 AMB 25-2:2604 0 AMB 25-1:2604 3.50 (# 2604:25 Double Ambig)
&rst
ixpk= 2604, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1500,1516,1324,
igr2=1650,1651,1652,1654,1655,1656,1333,1334,1335,1337,
1338,1339,
&end
#
# 0 AMB 25-2:2605 0 AMB 25-1:2605 2.80 (# 2605:25 Double Ambig)
&rst
ixpk= 2605, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1=1019,1020,1308,1309, 761, 762,
igr2=1333,1334,1335,1337,1338,1339,1650,1651,1652,1654,
1655,1656,
&end
#
# 94 PHE HB- 0 AMB 25-1:2606 4.50 (# 2606:25 Single Ambig)
&rst
ixpk= 2606, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1470,1471,
igr2=1650,1651,1652,1654,1655,1656,1333,1334,1335,1337,
1338,1339,
&end
#
# 0 AMB 25-2:2607 0 AMB 25-1:2607 4.50 (# 2607:25 Double Ambig)
&rst
ixpk= 2607, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.63, r4=10.38,
igr1=1470,1471,1470,1471,1198,1199,1198,1199,
igr2=1650,1651,1652,1654,1655,1656,1333,1334,1335,1337,
1338,1339,
&end
#
# 106 LEU HA 106 LEU MDY 3.50 (# 2608:25 Unique 2.20, 3.98 A)
&rst
ixpk= 2608, nxpk= 25, iat=1643, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1650,1651,1652,1654,1655,1656,
&end
#
# 0 AMB 25-2:2611 106 LEU MDY 5.50 (# 2611:25 Single Ambig)
&rst
ixpk= 2611, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1=1607,1608,1607,1608,1504,
igr2=1650,1651,1652,1654,1655,1656,
&end
#
# 96 VAL HA 106 LEU MDY 3.50 (# 2612:25 Unique 2.46, 4.63 A)
&rst
ixpk= 2612, nxpk= 25, iat=1502, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1650,1651,1652,1654,1655,1656,
&end
#
# 0 AMB 25-2:2613 0 AMB 25-1:2613 4.50 (# 2613:25 Double Ambig)
&rst
ixpk= 2613, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1641,1009,
igr2=1650,1651,1652,1654,1655,1656,1333,1334,1335,1337,
1338,1339,
&end
#
# 0 AMB 25-2:2614 106 LEU MDY 4.50 (# 2614:25 Single Ambig)
&rst
ixpk= 2614, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1192,1193,1624,1625,
igr2=1650,1651,1652,1654,1655,1656,
&end
#
# 95 THR HN 106 LEU MDY 5.50 (# 2615:25 Unique 4.25, 6.89 A)
&rst
ixpk= 2615, nxpk= 25, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1650,1651,1652,1654,1655,1656,
&end
#
# 94 PHE HN 0 AMB 25-1:2616 5.50 (# 2616:25 Single Ambig)
&rst
ixpk= 2616, nxpk= 25, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr2=1333,1334,1335,1337,1338,1339,1650,1651,1652,1654,
1655,1656,
&end
#
# 58 THR HN 58 THR MG2 5.50 (# 2617:25 Unique 2.95, 3.90 A)
&rst
ixpk= 2617, nxpk= 25, iat= 884, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 890, 891, 892,
&end
#
# 58 THR HA 58 THR MG2 3.50 (# 2618:25 Unique 2.51, 3.22 A)
&rst
ixpk= 2618, nxpk= 25, iat= 886, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 890, 891, 892,
&end
#
# 59 PRO HD+ 58 THR MG2 4.50 (# 2620:25 Unique 3.43, 4.66 A)
&rst
ixpk= 2620, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 899, 900,
igr2= 890, 891, 892,
&end
#
# 0 AMB 25-2:2621 58 THR MG2 3.50 (# 2621:25 Single Ambig)
&rst
ixpk= 2621, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 947, 948, 949, 352, 353, 354,
igr2= 890, 891, 892,
&end
#
# 0 AMB 25-2:2622 0 AMB 25-1:2622 5.50 (# 2622:25 Double Ambig)
&rst
ixpk= 2622, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=2056, 605,
igr2=2084,2085,2086,2088,2089,2090, 890, 891, 892,
&end
#
# 48 PHE HE 135 LEU MDY 5.50 (# 2623:25 Unique 2.18, 7.00 A)
&rst
ixpk= 2623, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 744, 748,
igr2=2084,2085,2086,2088,2089,2090,
&end
#
# 0 AMB 25-2:2624 0 AMB 25-1:2624 5.50 (# 2624:25 Double Ambig)
&rst
ixpk= 2624, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1= 623, 736,
igr2= 855, 856, 857, 859, 860, 861,2084,2085,2086,2088,
2089,2090, 890, 891, 892,
&end
#
# 0 AMB 25-2:2625 135 LEU MDY 3.50 (# 2625:25 Single Ambig)
&rst
ixpk= 2625, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 685, 686, 738, 739,
igr2=2084,2085,2086,2088,2089,2090,
&end
#
# 0 AMB 25-2:2626 135 LEU MDY 2.80 (# 2626:25 Single Ambig)
&rst
ixpk= 2626, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=2079,2080,2079,2080,
igr2=2084,2085,2086,2088,2089,2090,
&end
#
# 0 AMB 25-2:2627 135 LEU MDY 3.50 (# 2627:25 Single Ambig)
&rst
ixpk= 2627, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2017,2077, 821,
igr2=2084,2085,2086,2088,2089,2090,
&end
#
# 135 LEU HN 135 LEU MDY 5.50 (# 2628:25 Unique 3.39, 4.46 A)
&rst
ixpk= 2628, nxpk= 25, iat=2075, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2084,2085,2086,2088,2089,2090,
&end
#
# 0 AMB 25-2:2629 0 AMB 25-1:2629 3.50 (# 2629:25 Double Ambig)
&rst
ixpk= 2629, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 738, 739, 283, 284, 283, 284,
igr2=2084,2085,2086,2088,2089,2090, 855, 856, 857, 859,
860, 861,
&end
#
# 0 AMB 25-2:2630 0 AMB 25-1:2630 4.50 (# 2630:25 Double Ambig)
&rst
ixpk= 2630, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=2125,2126, 244,
igr2=2084,2085,2086,2088,2089,2090, 855, 856, 857, 859,
860, 861,
&end
#
# 0 AMB 25-2:2631 0 AMB 25-1:2631 3.50 (# 2631:25 Double Ambig)
&rst
ixpk= 2631, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 287, 295, 742, 750,
igr2= 855, 856, 857, 859, 860, 861,2084,2085,2086,2088,
2089,2090,
&end
#
# 56 VAL HN 56 VAL MGY 4.50 (# 2632:25 Unique 2.16, 3.88 A)
&rst
ixpk= 2632, nxpk= 25, iat= 849, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 0 AMB 25-2:2634 56 VAL MGY 4.50 (# 2634:25 Single Ambig)
&rst
ixpk= 2634, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 279, 658, 242, 953,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 65 VAL MGY 56 VAL MGY 2.80 (# 2635:25 Unique 2.25, 5.59 A)
&rst
ixpk= 2635, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 999,1000,1001,1003,1004,1005,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 0 AMB 25-2:2636 0 AMB 25-1:2636 2.80 (# 2636:25 Double Ambig)
&rst
ixpk= 2636, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 853,2109,2110,
igr2= 855, 856, 857, 859, 860, 861,2084,2085,2086,2088,
2089,2090,
&end
#
# 0 AMB 25-2:2637 56 VAL MGY 3.50 (# 2637:25 Single Ambig)
&rst
ixpk= 2637, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 644, 886,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 57 ILE HN 56 VAL MGY 3.50 (# 2638:25 Unique 2.35, 4.04 A)
&rst
ixpk= 2638, nxpk= 25, iat= 865, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 0 AMB 25-2:2639 0 AMB 25-1:2639 2.80 (# 2639:25 Double Ambig)
&rst
ixpk= 2639, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.86, r4= 6.61,
igr1= 947, 948, 949,2019,2020,2022,2023,
igr2= 855, 856, 857, 859, 860, 861,2084,2085,2086,2088,
2089,2090,
&end
#
# 56 VAL HA 56 VAL MGY 3.50 (# 2640:25 Unique 2.50, 3.61 A)
&rst
ixpk= 2640, nxpk= 25, iat= 851, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 63 SER HN 56 VAL MGY 5.50 (# 2641:25 Unique 2.77, 4.64 A)
&rst
ixpk= 2641, nxpk= 25, iat= 972, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 0 AMB 25-2:2642 0 AMB 25-1:2642 2.80 (# 2642:25 Double Ambig)
&rst
ixpk= 2642, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1542,1543,1645,1646,1013,
igr2=1547,1548,1549,1551,1552,1553,1333,1334,1335,1337,
1338,1339,
&end
#
# 0 AMB 25-2:2643 99 LEU MDX 4.50 (# 2643:25 Single Ambig)
&rst
ixpk= 2643, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 232, 233, 234, 236, 237, 238, 167, 168,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 0 AMB 25-2:2644 99 LEU MDX 5.50 (# 2644:25 Single Ambig)
&rst
ixpk= 2644, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1561,1562,1561,1562,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 16 VAL HA 99 LEU MDX 4.50 (# 2645:25 Unique 2.05, 3.98 A)
&rst
ixpk= 2645, nxpk= 25, iat= 228, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 20 PHE HD 99 LEU MDX 3.50 (# 2647:25 Unique 2.65, 5.72 A)
&rst
ixpk= 2647, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 287, 295,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 0 AMB 25-2:2648 99 LEU MDX 5.50 (# 2648:25 Single Ambig)
&rst
ixpk= 2648, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 226,1538,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 0 AMB 25-2:2649 99 LEU MDX 5.50 (# 2649:25 Single Ambig)
&rst
ixpk= 2649, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 271,1559,1578,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 0 AMB 25-2:2650 99 LEU MDX 5.50 (# 2650:25 Single Ambig)
&rst
ixpk= 2650, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1592, 269, 329,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 23 ILE HB 99 LEU MDX 5.50 (# 2652:25 Unique 3.99, 6.69 A)
&rst
ixpk= 2652, nxpk= 25, iat= 333, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 0 AMB 25-2:2653 99 LEU MDX 3.50 (# 2653:25 Single Ambig)
&rst
ixpk= 2653, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1580,1624,1625,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 105 TYR HE 99 LEU MDX 4.50 (# 2654:25 Unique 2.98, 5.27 A)
&rst
ixpk= 2654, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1630,1635,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 0 AMB 25-2:2656 0 AMB 25-1:2656 2.80 (# 2656:25 Double Ambig)
&rst
ixpk= 2656, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.65, r4= 7.40,
igr1= 342, 343, 344,1582,1583,1584,1586,1587,1588,1369,
1370,1371,1373,1374,1375,
igr2=1547,1548,1549,1551,1552,1553,1333,1334,1335,1337,
1338,1339,
&end
#
# 94 PHE HE 85 LEU MDY 3.50 (# 2657:25 Unique 2.91, 6.36 A)
&rst
ixpk= 2657, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1476,1480,
igr2=1333,1334,1335,1337,1338,1339,
&end
#
# 100 ASP HN 99 LEU MDX 4.50 (# 2658:25 Unique 2.03, 4.50 A)
&rst
ixpk= 2658, nxpk= 25, iat=1557, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 0 AMB 25-2:2659 0 AMB 25-1:2659 5.50 (# 2659:25 Double Ambig)
&rst
ixpk= 2659, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=1470,1471, 283, 284,
igr2=1333,1334,1335,1337,1338,1339,1547,1548,1549,1551,
1552,1553,
&end
#
# 0 AMB 25-2:2660 85 LEU MDY 2.80 (# 2660:25 Single Ambig)
&rst
ixpk= 2660, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.63, r4= 6.38,
igr1=1015,1016,1017,1019,1020,1369,1370,1371,1373,1374,
1375,
igr2=1333,1334,1335,1337,1338,1339,
&end
#
# 94 PHE HD 85 LEU MDY 4.50 (# 2661:25 Unique 2.65, 5.58 A)
&rst
ixpk= 2661, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1474,1482,
igr2=1333,1334,1335,1337,1338,1339,
&end
#
# 86 GLN HN 85 LEU MDY 5.50 (# 2662:25 Unique 2.09, 5.08 A)
&rst
ixpk= 2662, nxpk= 25, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1333,1334,1335,1337,1338,1339,
&end
#
# 94 PHE HN 85 LEU MDY 5.50 (# 2663:25 Unique 3.72, 5.71 A)
&rst
ixpk= 2663, nxpk= 25, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1333,1334,1335,1337,1338,1339,
&end
#
# 63 SER HB+ 56 VAL MGX 5.50 (# 2665:25 Unique 2.19, 5.02 A)
&rst
ixpk= 2665, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 976, 977,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 0 AMB 25-2:2666 56 VAL MGX 5.50 (# 2666:25 Single Ambig)
&rst
ixpk= 2666, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 644, 886,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 55 CYS HA 56 VAL MGX 5.50 (# 2667:25 Unique 3.58, 5.69 A)
&rst
ixpk= 2667, nxpk= 25, iat= 840, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 57 ILE HN 56 VAL MGX 4.50 (# 2668:25 Unique 2.35, 4.04 A)
&rst
ixpk= 2668, nxpk= 25, iat= 865, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 42 VAL MGX 56 VAL MGX 3.50 (# 2669:25 Unique 2.17, 5.35 A)
&rst
ixpk= 2669, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 648, 649, 650, 652, 653, 654,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 61 MET ME 56 VAL MGX 3.50 (# 2670:25 Unique 2.21, 5.25 A)
&rst
ixpk= 2670, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 947, 948, 949,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 0 AMB 25-2:2671 56 VAL MGX 2.80 (# 2671:25 Single Ambig)
&rst
ixpk= 2671, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1= 648, 649, 650, 652, 653, 654, 999,1000,1001,1003,
1004,1005, 232, 233, 234, 236, 237, 238, 611, 612,
613, 615, 616, 617,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 56 VAL HB 56 VAL MGX 2.80 (# 2672:25 Unique 2.38, 2.66 A)
&rst
ixpk= 2672, nxpk= 25, iat= 853, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 0 AMB 25-2:2673 56 VAL MGX 5.50 (# 2673:25 Single Ambig)
&rst
ixpk= 2673, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 283, 284, 283, 284,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 56 VAL HA 56 VAL MGX 4.50 (# 2674:25 Unique 2.50, 3.61 A)
&rst
ixpk= 2674, nxpk= 25, iat= 851, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 65 VAL MGY 56 VAL MGX 3.50 (# 2675:25 Unique 2.25, 5.59 A)
&rst
ixpk= 2675, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 999,1000,1001,1003,1004,1005,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 56 VAL HN 56 VAL MGX 3.50 (# 2676:25 Unique 2.16, 3.88 A)
&rst
ixpk= 2676, nxpk= 25, iat= 849, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 63 SER HN 56 VAL MGX 5.50 (# 2677:25 Unique 2.77, 4.64 A)
&rst
ixpk= 2677, nxpk= 25, iat= 972, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 63 SER HB- 56 VAL MGX 5.50 (# 2678:25 Unique 2.19, 5.02 A)
&rst
ixpk= 2678, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 976, 977,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 0 AMB 25-2:2679 56 VAL MGX 5.50 (# 2679:25 Single Ambig)
&rst
ixpk= 2679, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 658, 242, 953,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 51 GLN HE2- 106 LEU MDX 5.50 (# 2680:25 Unique 2.46, 6.30 A)
&rst
ixpk= 2680, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 788, 789,
igr2=1650,1651,1652,1654,1655,1656,
&end
#
# 0 AMB 25-2:2681 106 LEU MDX 3.50 (# 2681:25 Single Ambig)
&rst
ixpk= 2681, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1=1506,1507,1508,1510,1511,1512,1304,1305,1306,
igr2=1650,1651,1652,1654,1655,1656,
&end
#
# 96 VAL MGY 106 LEU MDX 5.50 (# 2682:25 Unique 2.33, 5.43 A)
&rst
ixpk= 2682, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1506,1507,1508,1510,1511,1512,
igr2=1650,1651,1652,1654,1655,1656,
&end
#
# 106 LEU HB- 106 LEU MDX 3.50 (# 2683:25 Unique 2.40, 3.32 A)
&rst
ixpk= 2683, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1645,1646,
igr2=1650,1651,1652,1654,1655,1656,
&end
#
# 0 AMB 25-2:2684 106 LEU MDX 2.80 (# 2684:25 Single Ambig)
&rst
ixpk= 2684, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1645,1646,1648,1013,
igr2=1650,1651,1652,1654,1655,1656,
&end
#
# 94 PHE HB- 106 LEU MDX 5.50 (# 2685:25 Unique 2.35, 4.66 A)
&rst
ixpk= 2685, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1470,1471,
igr2=1650,1651,1652,1654,1655,1656,
&end
#
# 94 PHE HB+ 106 LEU MDX 5.50 (# 2686:25 Unique 2.35, 4.66 A)
&rst
ixpk= 2686, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1470,1471,
igr2=1650,1651,1652,1654,1655,1656,
&end
#
# 106 LEU HA 106 LEU MDX 5.50 (# 2687:25 Unique 2.20, 3.98 A)
&rst
ixpk= 2687, nxpk= 25, iat=1643, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1650,1651,1652,1654,1655,1656,
&end
#
# 106 LEU HN 106 LEU MDX 5.50 (# 2688:25 Unique 3.18, 4.69 A)
&rst
ixpk= 2688, nxpk= 25, iat=1641, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1650,1651,1652,1654,1655,1656,
&end
#
# 0 AMB 25-2:2689 106 LEU MDX 3.50 (# 2689:25 Single Ambig)
&rst
ixpk= 2689, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1308,1309,1015,1016,1017,
igr2=1650,1651,1652,1654,1655,1656,
&end
#
# 0 AMB 25-2:2690 106 LEU MDX 4.50 (# 2690:25 Single Ambig)
&rst
ixpk= 2690, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1331,1328,1329,1328,1329,
igr2=1650,1651,1652,1654,1655,1656,
&end
#
# 94 PHE HD 106 LEU MDX 5.50 (# 2692:25 Unique 4.01, 6.53 A)
&rst
ixpk= 2692, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1474,1482,
igr2=1650,1651,1652,1654,1655,1656,
&end
#
# 0 AMB 25-2:2694 99 LEU MDY 5.50 (# 2694:25 Single Ambig)
&rst
ixpk= 2694, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 232, 233, 234, 236, 237, 238, 167, 168,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 105 TYR HE 99 LEU MDY 5.50 (# 2695:25 Unique 2.98, 5.27 A)
&rst
ixpk= 2695, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1630,1635,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 94 PHE HE 66 ILE MD1 4.50 (# 2696:25 Unique 2.57, 4.39 A)
&rst
ixpk= 2696, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1476,1480,
igr2=1022,1023,1024,
&end
#
# 66 ILE HN 66 ILE MD1 5.50 (# 2697:25 Unique 3.86, 5.27 A)
&rst
ixpk= 2697, nxpk= 25, iat=1009, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1022,1023,1024,
&end
#
# 0 AMB 25-2:2698 99 LEU MDY 2.80 (# 2698:25 Single Ambig)
&rst
ixpk= 2698, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 273, 274, 275,1542,1543,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 0 AMB 25-2:2699 99 LEU MDY 2.80 (# 2699:25 Single Ambig)
&rst
ixpk= 2699, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1= 342, 343, 344,1582,1583,1584,1586,1587,1588,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 16 VAL HA 99 LEU MDY 5.50 (# 2701:25 Unique 2.05, 3.98 A)
&rst
ixpk= 2701, nxpk= 25, iat= 228, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 0 AMB 25-2:2702 99 LEU MDY 5.50 (# 2702:25 Single Ambig)
&rst
ixpk= 2702, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 271,1559,1578,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 0 AMB 25-2:2704 66 ILE MD1 2.80 (# 2704:25 Single Ambig)
&rst
ixpk= 2704, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.01, r4= 5.76,
igr1=1015,1016,1017,1019,1020,1369,1370,1371,1373,1374,
1375,
igr2=1022,1023,1024,
&end
#
# 66 ILE HA 66 ILE MD1 5.50 (# 2705:25 Unique 2.47, 4.38 A)
&rst
ixpk= 2705, nxpk= 25, iat=1011, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1022,1023,1024,
&end
#
# 0 AMB 25-2:2706 66 ILE MD1 5.50 (# 2706:25 Single Ambig)
&rst
ixpk= 2706, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1364,1365, 758, 759,2060,1446,1447,1448,
igr2=1022,1023,1024,
&end
#
# 0 AMB 25-2:2707 99 LEU MDY 5.50 (# 2707:25 Single Ambig)
&rst
ixpk= 2707, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1= 213, 214, 213, 214, 230, 339, 340,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 66 ILE HG1- 66 ILE MD1 2.80 (# 2708:25 Unique 2.36, 2.65 A)
&rst
ixpk= 2708, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1019,1020,
igr2=1022,1023,1024,
&end
#
# 87 LEU MDY 66 ILE MD1 3.50 (# 2709:25 Unique 2.40, 5.59 A)
&rst
ixpk= 2709, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1369,1370,1371,1373,1374,1375,
igr2=1022,1023,1024,
&end
#
# 102 VAL MGX 99 LEU MDY 2.80 (# 2710:25 Unique 2.29, 5.57 A)
&rst
ixpk= 2710, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1582,1583,1584,1586,1587,1588,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 99 LEU HB+ 99 LEU MDY 3.50 (# 2711:25 Unique 2.38, 3.32 A)
&rst
ixpk= 2711, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1542,1543,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 0 AMB 25-2:2713 99 LEU MDY 4.50 (# 2713:25 Single Ambig)
&rst
ixpk= 2713, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1592, 269, 329,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 20 PHE HN 99 LEU MDY 5.50 (# 2714:25 Unique 3.17, 5.22 A)
&rst
ixpk= 2714, nxpk= 25, iat= 279, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 0 AMB 25-2:2715 66 ILE MD1 3.50 (# 2715:25 Single Ambig)
&rst
ixpk= 2715, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1013,1645,1646,
igr2=1022,1023,1024,
&end
#
# 0 AMB 25-2:2716 66 ILE MD1 3.50 (# 2716:25 Single Ambig)
&rst
ixpk= 2716, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 823, 824, 825, 987, 988, 989, 758, 759,
igr2=1022,1023,1024,
&end
#
# 94 PHE HD 66 ILE MD1 4.50 (# 2717:25 Unique 3.32, 5.06 A)
&rst
ixpk= 2717, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1474,1482,
igr2=1022,1023,1024,
&end
#
# 0 AMB 25-2:2718 99 LEU MDY 4.50 (# 2718:25 Single Ambig)
&rst
ixpk= 2718, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1580,1624,1625,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 23 ILE HB 99 LEU MDY 5.50 (# 2719:25 Unique 3.99, 6.69 A)
&rst
ixpk= 2719, nxpk= 25, iat= 333, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 99 LEU HN 99 LEU MDY 5.50 (# 2720:25 Unique 4.72, 5.34 A)
&rst
ixpk= 2720, nxpk= 25, iat=1538, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1547,1548,1549,1551,1552,1553,
&end
#
# 51 GLN HN 47 LEU MDX 5.50 (# 2721:25 Unique 3.31, 5.37 A)
&rst
ixpk= 2721, nxpk= 25, iat= 776, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 50 GLY HA- 47 LEU MDX 5.50 (# 2723:25 Unique 2.71, 5.28 A)
&rst
ixpk= 2723, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 771, 772,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 47 LEU HG 47 LEU MDX 2.80 (# 2725:25 Unique 2.40, 2.66 A)
&rst
ixpk= 2725, nxpk= 25, iat= 722, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 47 LEU HB- 47 LEU MDX 3.50 (# 2726:25 Unique 2.41, 3.31 A)
&rst
ixpk= 2726, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 719, 720,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 47 LEU HB+ 47 LEU MDX 3.50 (# 2727:25 Unique 2.41, 3.31 A)
&rst
ixpk= 2727, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 719, 720,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 70 PRO HB- 47 LEU MDX 5.50 (# 2728:25 Unique 3.47, 6.37 A)
&rst
ixpk= 2728, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1076,1077,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 0 AMB 25-2:2729 47 LEU MDX 5.50 (# 2729:25 Single Ambig)
&rst
ixpk= 2729, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1073,1074,1073,1074,1076,1077,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 0 AMB 25-2:2730 47 LEU MDX 3.50 (# 2730:25 Single Ambig)
&rst
ixpk= 2730, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 717, 778,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 0 AMB 25-2:2731 47 LEU MDX 3.50 (# 2731:25 Single Ambig)
&rst
ixpk= 2731, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1070,1071,1070,1071,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 50 GLY HA+ 47 LEU MDX 5.50 (# 2732:25 Unique 2.71, 5.28 A)
&rst
ixpk= 2732, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 771, 772,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 0 AMB 25-2:2733 47 LEU MDX 4.50 (# 2733:25 Single Ambig)
&rst
ixpk= 2733, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 734, 715,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 0 AMB 25-2:2735 47 LEU MDX 5.50 (# 2735:25 Single Ambig)
&rst
ixpk= 2735, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1064,1065,1064,1065,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 0 AMB 25-2:2737 0 AMB 25-1:2737 4.50 (# 2737:25 Double Ambig)
&rst
ixpk= 2737, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.80, r4= 9.55,
igr1=1624,1625,1580, 246, 247, 246, 247,
igr2= 167, 168, 232, 233, 234, 236, 237, 238,
&end
#
# 0 AMB 25-2:2738 0 AMB 25-1:2738 4.50 (# 2738:25 Double Ambig)
&rst
ixpk= 2738, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
igr1= 287, 295,1036,1044,
igr2= 232, 233, 234, 236, 237, 238, 167, 168,
&end
#
# 0 AMB 25-2:2739 0 AMB 25-1:2739 5.50 (# 2739:25 Double Ambig)
&rst
ixpk= 2739, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 154, 797, 798,
igr2= 167, 168, 167, 168,
&end
#
# 105 TYR HE 16 VAL MGX 3.50 (# 2741:25 Unique 2.97, 5.40 A)
&rst
ixpk= 2741, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1630,1635,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 99 LEU MDX 0 AMB 25-1:2742 3.50 (# 2742:25 Single Ambig)
&rst
ixpk= 2742, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1547,1548,1549,1551,1552,1553,
igr2= 232, 233, 234, 236, 237, 238, 167, 168,
&end
#
# 102 VAL MGX 0 AMB 25-1:2743 3.50 (# 2743:25 Single Ambig)
&rst
ixpk= 2743, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1582,1583,1584,1586,1587,1588,
igr2= 167, 168, 232, 233, 234, 236, 237, 238,
&end
#
# 0 AMB 25-2:2744 0 AMB 25-1:2744 2.80 (# 2744:25 Double Ambig)
&rst
ixpk= 2744, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.37, r4= 6.12,
igr1= 230, 213, 214, 213, 214,
igr2= 232, 233, 234, 236, 237, 238, 167, 168, 167, 168,
&end
#
# 16 VAL HA 16 VAL MGX 3.50 (# 2745:25 Unique 2.49, 3.18 A)
&rst
ixpk= 2745, nxpk= 25, iat= 228, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 15 GLN HE2- 12 PRO HG+ 4.50 (# 2746:25 Unique 4.41, 5.75 A)
&rst
ixpk= 2746, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 221, 222,
igr2= 167, 168,
&end
#
# 16 VAL HN 16 VAL MGX 3.50 (# 2748:25 Unique 2.25, 3.87 A)
&rst
ixpk= 2748, nxpk= 25, iat= 226, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 0 AMB 25-2:2749 0 AMB 25-1:2749 4.50 (# 2749:25 Double Ambig)
&rst
ixpk= 2749, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1542,1543, 273, 274, 275,
igr2= 232, 233, 234, 236, 237, 238, 167, 168,
&end
#
# 0 AMB 25-2:2750 0 AMB 25-1:2750 5.50 (# 2750:25 Double Ambig)
&rst
ixpk= 2750, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.64, r4=12.39,
igr1= 164, 165, 179,1032,1033, 283, 284, 164, 165,
igr2= 167, 168, 232, 233, 234, 236, 237, 238, 167, 168,
&end
#
# 0 AMB 25-2:2751 0 AMB 25-1:2751 3.50 (# 2751:25 Double Ambig)
&rst
ixpk= 2751, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1628,1637, 177,
igr2= 232, 233, 234, 236, 237, 238, 167, 168, 167, 168,
&end
#
# 0 AMB 25-2:2752 16 VAL MGX 4.50 (# 2752:25 Single Ambig)
&rst
ixpk= 2752, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 242, 279,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 12 PRO HA 0 AMB 25-1:2753 5.50 (# 2753:25 Single Ambig)
&rst
ixpk= 2753, nxpk= 25, iat= 173, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr2= 167, 168, 232, 233, 234, 236, 237, 238,
&end
#
# 0 AMB 25-2:2754 0 AMB 25-1:2754 5.50 (# 2754:25 Double Ambig)
&rst
ixpk= 2754, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1592, 269,
igr2= 167, 168, 232, 233, 234, 236, 237, 238,
&end
#
# 53 THR HN 47 LEU MDY 5.50 (# 2755:25 Unique 4.50, 6.89 A)
&rst
ixpk= 2755, nxpk= 25, iat= 817, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 50 GLY HA- 47 LEU MDY 4.50 (# 2757:25 Unique 2.71, 5.28 A)
&rst
ixpk= 2757, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 771, 772,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 47 LEU HG 47 LEU MDY 3.50 (# 2759:25 Unique 2.40, 2.66 A)
&rst
ixpk= 2759, nxpk= 25, iat= 722, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 0 AMB 25-2:2760 47 LEU MDY 3.50 (# 2760:25 Single Ambig)
&rst
ixpk= 2760, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1070,1071,1070,1071,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 0 AMB 25-2:2761 47 LEU MDY 5.50 (# 2761:25 Single Ambig)
&rst
ixpk= 2761, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1064,1065,1064,1065,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 0 AMB 25-2:2762 47 LEU MDY 2.80 (# 2762:25 Single Ambig)
&rst
ixpk= 2762, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 717, 778,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 47 LEU HB- 47 LEU MDY 3.50 (# 2763:25 Unique 2.41, 3.31 A)
&rst
ixpk= 2763, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 719, 720,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 47 LEU HB+ 47 LEU MDY 3.50 (# 2764:25 Unique 2.41, 3.31 A)
&rst
ixpk= 2764, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 719, 720,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 50 GLY HA+ 47 LEU MDY 5.50 (# 2765:25 Unique 2.71, 5.28 A)
&rst
ixpk= 2765, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 771, 772,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 48 PHE HN 47 LEU MDY 4.50 (# 2766:25 Unique 3.26, 5.69 A)
&rst
ixpk= 2766, nxpk= 25, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 70 PRO HB- 47 LEU MDY 5.50 (# 2767:25 Unique 3.47, 6.37 A)
&rst
ixpk= 2767, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1076,1077,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 0 AMB 25-2:2768 47 LEU MDY 5.50 (# 2768:25 Single Ambig)
&rst
ixpk= 2768, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1073,1074,1073,1074,1076,1077,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 51 GLN HN 47 LEU MDY 5.50 (# 2769:25 Unique 3.31, 5.37 A)
&rst
ixpk= 2769, nxpk= 25, iat= 776, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 46 THR HB 45 PHE HA 5.50 (# 2770:25 Unique 4.04, 4.38 A)
&rst
ixpk= 2770, nxpk= 25, iat= 705, 683, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 53 THR HN 53 THR HA 5.50 (# 2771:25 Unique 2.97, 2.98 A)
&rst
ixpk= 2771, nxpk= 25, iat= 817, 819, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2772 53 THR HA 5.50 (# 2772:25 Single Ambig)
&rst
ixpk= 2772, nxpk= 25, iat= -1, 819, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1028, 993,
&end
#
# 54 GLY HA+ 53 THR HA 5.50 (# 2773:25 Unique 4.21, 4.45 A)
&rst
ixpk= 2773, nxpk= 25, iat= -1, 819, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 833, 834,
&end
#
# 60 TRP HN 58 THR HA 5.50 (# 2774:25 Unique 4.05, 4.18 A)
&rst
ixpk= 2774, nxpk= 25, iat= 912, 886, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 LEU MDY 47 LEU HA 3.50 (# 2775:25 Unique 2.10, 3.86 A)
&rst
ixpk= 2775, nxpk= 25, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 724, 725, 726, 728, 729, 730,
&end
#
# 48 PHE HD 47 LEU HA 5.50 (# 2776:25 Unique 3.73, 5.95 A)
&rst
ixpk= 2776, nxpk= 25, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 742, 750,
&end
#
# 126 LEU HA 129 ASP HB- 4.50 (# 2778:25 Unique 2.14, 2.84 A)
&rst
ixpk= 2778, nxpk= 25, iat=1939, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1986,1987,
&end
#
# 56 VAL HA 42 VAL HA 3.50 (# 2779:25 Unique 2.06, 2.16 A)
&rst
ixpk= 2779, nxpk= 25, iat= 851, 644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 PHE HB+ 48 PHE HA 3.50 (# 2780:25 Unique 2.25, 2.68 A)
&rst
ixpk= 2780, nxpk= 25, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 738, 739,
&end
#
# 41 TYR HD 41 TYR HB- 5.50 (# 2781:25 Unique 2.34, 3.08 A)
&rst
ixpk= 2781, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 629, 638,
igr2= 625, 626,
&end
#
# 71 ASP HN 71 ASP HB- 5.50 (# 2782:25 Unique 2.83, 3.26 A)
&rst
ixpk= 2782, nxpk= 25, iat=1083, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1087,1088,
&end
#
# 57 ILE MG2 41 TYR HB- 4.50 (# 2783:25 Unique 2.24, 3.55 A)
&rst
ixpk= 2783, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 871, 872, 873,
igr2= 625, 626,
&end
#
# 74 TRP HA 5 ILE HB 5.50 (# 2784:25 Unique 4.63, 4.87 A)
&rst
ixpk= 2784, nxpk= 25, iat=1133, 69, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2785 0 AMB 25-1:2785 3.50 (# 2785:25 Double Ambig)
&rst
ixpk= 2785, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1506,1507,1508,1510,1511,1512,1369,1370,1371,1373,
1374,1375,
igr2=1308,1309,1019,1020,
&end
#
# 74 TRP HB+ 5 ILE MG2 5.50 (# 2787:25 Unique 3.04, 4.87 A)
&rst
ixpk= 2787, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1135,1136,
igr2= 71, 72, 73,
&end
#
# 5 ILE MD1 5 ILE HA 4.50 (# 2788:25 Unique 2.23, 4.41 A)
&rst
ixpk= 2788, nxpk= 25, iat= -1, 67, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 78, 79, 80,
&end
#
# 0 AMB 25-2:2789 0 AMB 25-1:2789 5.50 (# 2789:25 Double Ambig)
&rst
ixpk= 2789, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 482,1112, 463,
igr2= 520,1119,
&end
#
# 73 LEU HA 73 LEU HG 4.50 (# 2790:25 Unique 2.43, 3.42 A)
&rst
ixpk= 2790, nxpk= 25, iat=1114,1119, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 73 LEU HG 6 ALA HA 5.50 (# 2791:25 Unique 3.28, 4.93 A)
&rst
ixpk= 2791, nxpk= 25, iat=1119, 86, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2793 8 PHE HA 3.50 (# 2793:25 Single Ambig)
&rst
ixpk= 2793, nxpk= 25, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 105, 106,1087,1088,
&end
#
# 52 TRP HE1 8 PHE HB+ 5.50 (# 2794:25 Unique 3.36, 5.53 A)
&rst
ixpk= 2794, nxpk= 25, iat= 803, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 105, 106,
&end
#
# 52 TRP HZ2 10 THR HA 4.50 (# 2795:25 Unique 2.64, 3.56 A)
&rst
ixpk= 2795, nxpk= 25, iat= 806, 140, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 67 PHE HD 10 THR HA 5.50 (# 2796:25 Unique 4.53, 7.16 A)
&rst
ixpk= 2796, nxpk= 25, iat= -1, 140, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1036,1044,
&end
#
# 0 AMB 25-2:2797 12 PRO HA 3.50 (# 2797:25 Single Ambig)
&rst
ixpk= 2797, nxpk= 25, iat= -1, 173, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 213, 214, 213, 214,
&end
#
# 14 ALA HN 13 LYS HB- 5.50 (# 2798:25 Unique 2.26, 3.35 A)
&rst
ixpk= 2798, nxpk= 25, iat= 199, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 181, 182,
&end
#
# 40 VAL HA 40 VAL MGX 2.80 (# 2801:25 Unique 2.35, 3.37 A)
&rst
ixpk= 2801, nxpk= 25, iat= 607, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 13 LYS HG+ 14 ALA HA 5.50 (# 2802:25 Unique 3.64, 4.43 A)
&rst
ixpk= 2802, nxpk= 25, iat= -1, 201, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 184, 185,
&end
#
# 16 VAL HN 16 VAL HB 3.50 (# 2803:25 Unique 2.35, 2.42 A)
&rst
ixpk= 2803, nxpk= 25, iat= 226, 230, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 GLU HB- 17 GLN HA 4.50 (# 2804:25 Unique 4.21, 5.24 A)
&rst
ixpk= 2804, nxpk= 25, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 303, 304,
&end
#
# 36 PRO HA 36 PRO HB+ 2.80 (# 2805:25 Unique 2.30, 2.59 A)
&rst
ixpk= 2805, nxpk= 25, iat= 559, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 556, 557,
&end
#
# 0 AMB 25-2:2806 0 AMB 25-1:2806 3.50 (# 2806:25 Double Ambig)
&rst
ixpk= 2806, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 611, 612, 613, 615, 616, 617,2144,2145,2146,2148,
2149,2150,2144,2145,2146,2148,2149,2150, 871, 872,
873, 522, 523, 524, 526, 527, 528,
igr2= 609,2131,2132, 556, 557,
&end
#
# 0 AMB 25-2:2807 0 AMB 25-1:2807 2.80 (# 2807:25 Double Ambig)
&rst
ixpk= 2807, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 611, 612, 613, 615, 616, 617,1240,1241,1242,1244,
1245,1246,
igr2= 249, 250,1527,1528,
&end
#
# 0 AMB 25-2:2808 0 AMB 25-1:2808 3.50 (# 2808:25 Double Ambig)
&rst
ixpk= 2808, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 517, 518, 517, 518, 517, 518,
igr2= 465, 515,
&end
#
# 23 ILE HA 22 GLU HG- 5.50 (# 2809:25 Unique 3.21, 4.93 A)
&rst
ixpk= 2809, nxpk= 25, iat= 331, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 321, 322,
&end
#
#
# 25 ARG HA 25 ARG HG+ 4.50 (# 2812:25 Unique 2.20, 2.97 A)
&rst
ixpk= 2812, nxpk= 25, iat= 360, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 365, 366,
&end
#
# 0 AMB 25-2:2813 0 AMB 25-1:2813 4.50 (# 2813:25 Double Ambig)
&rst
ixpk= 2813, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 360, 316,
igr2= 365, 366, 389, 390,
&end
#
# 132 ARG HA 132 ARG HG- 3.50 (# 2814:25 Unique 2.65, 3.73 A)
&rst
ixpk= 2814, nxpk= 25, iat=2017, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2022,2023,
&end
#
# 132 ARG HA 0 AMB 25-1:2815 3.50 (# 2815:25 Single Ambig)
&rst
ixpk= 2815, nxpk= 25, iat=2017, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=2025,2026,2025,2026,
&end
#
# 135 LEU MDX 0 AMB 25-1:2816 3.50 (# 2816:25 Single Ambig)
&rst
ixpk= 2816, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2084,2085,2086,2088,2089,2090,
igr2=2025,2026,2025,2026,
&end
#
# 0 AMB 25-2:2817 26 ARG HA 5.50 (# 2817:25 Single Ambig)
&rst
ixpk= 2817, nxpk= 25, iat= -1, 384, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 392, 393, 392, 393,
&end
#
# 0 AMB 25-2:2818 0 AMB 25-1:2818 2.80 (# 2818:25 Double Ambig)
&rst
ixpk= 2818, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1913,2330,
igr2=1917,1918,1917,1918,2300,2301,2300,2301,
&end
#
# 0 AMB 25-2:2820 0 AMB 25-1:2820 3.50 (# 2820:25 Double Ambig)
&rst
ixpk= 2820, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1169, 574,1896,
igr2=1162,1163, 598, 599,
&end
#
# 98 GLU HA 0 AMB 25-1:2821 3.50 (# 2821:25 Single Ambig)
&rst
ixpk= 2821, nxpk= 25, iat=1525, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1530,1531,1530,1531,
&end
#
# 0 AMB 25-2:2823 0 AMB 25-1:2823 2.80 (# 2823:25 Double Ambig)
&rst
ixpk= 2823, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 358,1261,
igr2= 362, 363,1265,1266,
&end
#
# 0 AMB 25-2:2824 0 AMB 25-1:2824 2.80 (# 2824:25 Double Ambig)
&rst
ixpk= 2824, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2274, 384,
igr2=2276,2277, 362, 363,
&end
#
# 0 AMB 25-2:2825 0 AMB 25-1:2825 2.80 (# 2825:25 Double Ambig)
&rst
ixpk= 2825, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.08, r4= 6.83,
igr1=2214,2215,2216,2218,2219,2220,2214,2215,2216,2218,
2219,2220, 871, 872, 873,
igr2=2231,2232,2231,2232, 609, 598, 599,
&end
#
# 96 VAL MGX 96 VAL HB 2.80 (# 2826:25 Unique 2.40, 2.66 A)
&rst
ixpk= 2826, nxpk= 25, iat= -1,1504, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 40 VAL HA 40 VAL MGY 3.50 (# 2827:25 Unique 2.35, 3.37 A)
&rst
ixpk= 2827, nxpk= 25, iat= 607, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 41 TYR HA 40 VAL MGY 5.50 (# 2828:25 Unique 3.71, 6.00 A)
&rst
ixpk= 2828, nxpk= 25, iat= 623, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 0 AMB 25-2:2829 0 AMB 25-1:2829 3.50 (# 2829:25 Double Ambig)
&rst
ixpk= 2829, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.32, r4= 8.07,
igr1= 213, 214, 213, 214, 352, 353, 354,
igr2=1582,1583,1584,1586,1587,1588, 611, 612, 613, 615,
616, 617,
&end
#
# 50 GLY HN 49 GLU HG+ 5.50 (# 2830:25 Unique 4.02, 5.29 A)
&rst
ixpk= 2830, nxpk= 25, iat= 769, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 761, 762,
&end
#
# 47 LEU MDY 50 GLY HA+ 5.50 (# 2831:25 Unique 2.71, 5.28 A)
&rst
ixpk= 2831, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 724, 725, 726, 728, 729, 730,
igr2= 771, 772,
&end
#
# 0 AMB 25-2:2832 38 MET HA 4.50 (# 2832:25 Single Ambig)
&rst
ixpk= 2832, nxpk= 25, iat= -1, 576, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1850,1851,1850,1851,
&end
#
# 0 AMB 25-2:2833 51 GLN HB- 5.50 (# 2833:25 Single Ambig)
&rst
ixpk= 2833, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 788, 789, 742, 750,
igr2= 780, 781,
&end
#
# 74 TRP HE1 74 TRP HA 5.50 (# 2834:25 Unique 4.48, 4.68 A)
&rst
ixpk= 2834, nxpk= 25, iat=1141,1133, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 55 CYS HN 54 GLY HA+ 5.50 (# 2835:25 Unique 2.43, 2.59 A)
&rst
ixpk= 2835, nxpk= 25, iat= 838, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 833, 834,
&end
#
# 0 AMB 25-2:2836 0 AMB 25-1:2836 5.50 (# 2836:25 Double Ambig)
&rst
ixpk= 2836, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=2009,2010,2011,1302,
igr2= 833, 834,1319,1320,
&end
#
# 62 LEU HB- 55 CYS HB+ 5.50 (# 2837:25 Unique 5.55, 6.99 A)
&rst
ixpk= 2837, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 957, 958,
igr2= 842, 843,
&end
#
# 62 LEU HB- 55 CYS HB- 5.50 (# 2838:25 Unique 5.55, 6.99 A)
&rst
ixpk= 2838, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 957, 958,
igr2= 842, 843,
&end
#
# 131 ALA MB 55 CYS HB- 5.50 (# 2839:25 Unique 2.14, 4.49 A)
&rst
ixpk= 2839, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2009,2010,2011,
igr2= 842, 843,
&end
#
# 131 ALA MB 55 CYS HB+ 5.50 (# 2840:25 Unique 2.14, 4.49 A)
&rst
ixpk= 2840, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2009,2010,2011,
igr2= 842, 843,
&end
#
# 127 THR MG2 55 CYS HB+ 5.50 (# 2841:25 Unique 2.19, 3.14 A)
&rst
ixpk= 2841, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1962,1963,1964,
igr2= 842, 843,
&end
#
# 127 THR MG2 55 CYS HB- 5.50 (# 2842:25 Unique 2.19, 3.14 A)
&rst
ixpk= 2842, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1962,1963,1964,
igr2= 842, 843,
&end
#
# 55 CYS HA 55 CYS HB+ 5.50 (# 2843:25 Unique 2.51, 2.82 A)
&rst
ixpk= 2843, nxpk= 25, iat= 840, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 842, 843,
&end
#
# 0 AMB 25-2:2844 56 VAL HB 5.50 (# 2844:25 Single Ambig)
&rst
ixpk= 2844, nxpk= 25, iat= -1, 853, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 658, 242, 279,
&end
#
# 40 VAL HA 56 VAL MGY 5.50 (# 2845:25 Unique 4.32, 6.77 A)
&rst
ixpk= 2845, nxpk= 25, iat= 607, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 65 VAL HN 56 VAL MGX 5.50 (# 2846:25 Unique 4.77, 7.31 A)
&rst
ixpk= 2846, nxpk= 25, iat= 993, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 0 AMB 25-2:2847 56 VAL MGX 5.50 (# 2847:25 Single Ambig)
&rst
ixpk= 2847, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 955, 974,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 65 VAL HB 56 VAL MGX 5.50 (# 2848:25 Unique 3.08, 6.64 A)
&rst
ixpk= 2848, nxpk= 25, iat= 997, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 0 AMB 25-2:2849 56 VAL MGX 5.50 (# 2849:25 Single Ambig)
&rst
ixpk= 2849, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 943, 944, 249, 250,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 62 LEU HA 57 ILE HA 5.50 (# 2850:25 Unique 2.15, 2.27 A)
&rst
ixpk= 2850, nxpk= 25, iat= 955, 867, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 57 ILE HN 57 ILE HB 5.50 (# 2851:25 Unique 2.82, 3.06 A)
&rst
ixpk= 2851, nxpk= 25, iat= 865, 869, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 109 SER HA 63 SER HB- 5.50 (# 2853:25 Unique 2.10, 3.29 A)
&rst
ixpk= 2853, nxpk= 25, iat=1684, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 976, 977,
&end
#
# 0 AMB 25-2:2854 0 AMB 25-1:2854 5.50 (# 2854:25 Double Ambig)
&rst
ixpk= 2854, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.00, r4=12.75,
igr1= 999,1000,1001,1003,1004,1005, 962, 963, 964, 966,
967, 968, 962, 963, 964, 966, 967, 968,
igr2= 976, 977, 976, 977, 976, 977,
&end
#
# 0 AMB 25-2:2855 64 ALA HA 5.50 (# 2855:25 Single Ambig)
&rst
ixpk= 2855, nxpk= 25, iat= -1, 985, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 999,1000,1001,1003,1004,1005,1675,1676,1019,1020,
&end
#
# 108 CYS HN 64 ALA MB 5.50 (# 2856:25 Unique 3.17, 4.36 A)
&rst
ixpk= 2856, nxpk= 25, iat=1671, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 987, 988, 989,
&end
#
# 63 SER HA 64 ALA MB 5.50 (# 2857:25 Unique 4.53, 5.01 A)
&rst
ixpk= 2857, nxpk= 25, iat= 974, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 987, 988, 989,
&end
#
# 108 CYS HA 64 ALA MB 5.50 (# 2858:25 Unique 4.96, 6.38 A)
&rst
ixpk= 2858, nxpk= 25, iat=1673, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 987, 988, 989,
&end
#
# 66 ILE HN 65 VAL MGX 5.50 (# 2859:25 Unique 2.52, 4.54 A)
&rst
ixpk= 2859, nxpk= 25, iat=1009, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 0 AMB 25-2:2860 65 VAL MGX 5.50 (# 2860:25 Single Ambig)
&rst
ixpk= 2860, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 833, 834, 976, 977,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 0 AMB 25-2:2861 65 VAL MGX 5.50 (# 2861:25 Single Ambig)
&rst
ixpk= 2861, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1=1032,1033, 164, 165, 842, 843, 179,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 63 SER HB+ 65 VAL MGY 4.50 (# 2862:25 Unique 2.96, 5.66 A)
&rst
ixpk= 2862, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 976, 977,
igr2= 999,1000,1001,1003,1004,1005,
&end
#
# 0 AMB 25-2:2865 83 ILE MD1 5.50 (# 2865:25 Single Ambig)
&rst
ixpk= 2865, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1502,1263,
igr2=1311,1312,1313,
&end
#
# 0 AMB 25-2:2867 66 ILE MD1 3.50 (# 2867:25 Single Ambig)
&rst
ixpk= 2867, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1333,1334,1335,1337,1338,1339,1650,1651,1652,1654,
1655,1656,
igr2=1022,1023,1024,
&end
#
# 95 THR HN 0 AMB 25-1:2868 5.50 (# 2868:25 Single Ambig)
&rst
ixpk= 2868, nxpk= 25, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1289,1290,1289,1290,
&end
#
# 96 VAL HN 0 AMB 25-1:2869 5.50 (# 2869:25 Single Ambig)
&rst
ixpk= 2869, nxpk= 25, iat=1500, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr2=1289,1290,1289,1290,1198,1199,1198,1199,
&end
#
# 0 AMB 25-2:2870 0 AMB 25-1:2870 5.50 (# 2870:25 Double Ambig)
&rst
ixpk= 2870, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1131,1671,1298,
igr2=1116,1117,1645,1646,
&end
#
# 83 ILE HN 82 LYS HB+ 5.50 (# 2871:25 Unique 2.73, 3.44 A)
&rst
ixpk= 2871, nxpk= 25, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1280,1281,
&end
#
# 83 ILE HN 82 LYS HB- 5.50 (# 2872:25 Unique 2.73, 3.44 A)
&rst
ixpk= 2872, nxpk= 25, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1280,1281,
&end
#
# 79 VAL MGX 79 VAL HA 2.80 (# 2873:25 Unique 2.46, 3.30 A)
&rst
ixpk= 2873, nxpk= 25, iat= -1,1236, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1240,1241,1242,1244,1245,1246,
&end
#
# 96 VAL MGY 79 VAL HA 5.50 (# 2874:25 Unique 2.23, 4.02 A)
&rst
ixpk= 2874, nxpk= 25, iat= -1,1236, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 0 AMB 25-2:2875 0 AMB 25-1:2875 4.50 (# 2875:25 Double Ambig)
&rst
ixpk= 2875, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1523, 348,
igr2=1238, 362, 363,
&end
#
# 104 GLN HE2- 79 VAL MGX 5.50 (# 2876:25 Unique 2.89, 5.54 A)
&rst
ixpk= 2876, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1615,1616,
igr2=1240,1241,1242,1244,1245,1246,
&end
#
# 86 GLN HE2- 91 THR MG2 5.50 (# 2877:25 Unique 3.54, 5.16 A)
&rst
ixpk= 2877, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1355,1356,
igr2=1427,1428,1429,
&end
#
# 90 GLY HA- 91 THR MG2 5.50 (# 2878:25 Unique 6.11, 6.84 A)
&rst
ixpk= 2878, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1416,1417,
igr2=1427,1428,1429,
&end
#
# 84 GLY HA- 0 AMB 25-1:2879 4.50 (# 2879:25 Single Ambig)
&rst
ixpk= 2879, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1319,1320,
igr2=1458,1459,1460,1427,1428,1429,
&end
#
# 92 MET HG+ 91 THR MG2 5.50 (# 2880:25 Unique 5.48, 6.80 A)
&rst
ixpk= 2880, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1442,1443,
igr2=1427,1428,1429,
&end
#
# 81 GLU HN 81 GLU HA 2.80 (# 2881:25 Unique 2.87, 2.90 A)
&rst
ixpk= 2881, nxpk= 25, iat=1261,1263, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:2882 0 AMB 25-1:2882 3.50 (# 2882:25 Double Ambig)
&rst
ixpk= 2882, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1212, 299,
igr2=1268,1269, 306, 307,
&end
#
# 96 VAL HN 81 GLU HB+ 5.50 (# 2883:25 Unique 3.65, 4.67 A)
&rst
ixpk= 2883, nxpk= 25, iat=1500, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1265,1266,
&end
#
# 96 VAL MGY 81 GLU HB+ 3.50 (# 2884:25 Unique 2.73, 5.38 A)
&rst
ixpk= 2884, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1506,1507,1508,1510,1511,1512,
igr2=1265,1266,
&end
#
# 94 PHE HN 84 GLY HA- 5.50 (# 2885:25 Unique 3.58, 4.49 A)
&rst
ixpk= 2885, nxpk= 25, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1319,1320,
&end
#
# 93 THR HA 84 GLY HA- 4.50 (# 2886:25 Unique 2.15, 3.10 A)
&rst
ixpk= 2886, nxpk= 25, iat=1454, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1319,1320,
&end
#
# 0 AMB 25-2:2887 0 AMB 25-1:2887 3.50 (# 2887:25 Double Ambig)
&rst
ixpk= 2887, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1861,2098,2099,
igr2=1863,1864,1383,1384,
&end
#
# 91 THR MG2 86 GLN HB+ 5.50 (# 2888:25 Unique 2.83, 4.85 A)
&rst
ixpk= 2888, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1427,1428,1429,
igr2=1347,1348,
&end
#
# 86 GLN HE2- 86 GLN HG- 5.50 (# 2889:25 Unique 2.24, 3.36 A)
&rst
ixpk= 2889, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1355,1356,
igr2=1350,1351,
&end
#
# 162 ALA MB 162 ALA HA 3.50 (# 2890:25 Unique 2.43, 2.67 A)
&rst
ixpk= 2890, nxpk= 25, iat= -1,2492, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2494,2495,2496,
&end
#
# 92 MET HN 92 MET HG- 5.50 (# 2892:25 Unique 2.55, 3.65 A)
&rst
ixpk= 2892, nxpk= 25, iat=1435, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1442,1443,
&end
#
# 0 AMB 25-2:2893 0 AMB 25-1:2893 2.80 (# 2893:25 Double Ambig)
&rst
ixpk= 2893, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
igr1=1439,1440,1446,1447,1448,
igr2=1442,1443,1442,1443,
&end
#
# 0 AMB 25-2:2894 92 MET HG- 2.80 (# 2894:25 Single Ambig)
&rst
ixpk= 2894, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1=1439,1440,1446,1447,1448,
igr2=1442,1443,
&end
#
# 92 MET HB+ 92 MET HG- 3.50 (# 2895:25 Unique 2.34, 2.75 A)
&rst
ixpk= 2895, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1439,1440,
igr2=1442,1443,
&end
#
# 92 MET HB+ 92 MET HG+ 3.50 (# 2896:25 Unique 2.34, 2.75 A)
&rst
ixpk= 2896, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1439,1440,
igr2=1442,1443,
&end
#
# 85 LEU HN 93 THR HA 5.50 (# 2897:25 Unique 2.59, 3.05 A)
&rst
ixpk= 2897, nxpk= 25, iat=1324,1454, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 94 PHE HN 93 THR HA 5.50 (# 2898:25 Unique 2.09, 2.16 A)
&rst
ixpk= 2898, nxpk= 25, iat=1466,1454, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 93 THR MG2 93 THR HA 4.50 (# 2899:25 Unique 2.31, 2.86 A)
&rst
ixpk= 2899, nxpk= 25, iat= -1,1454, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1458,1459,1460,
&end
#
# 98 GLU HN 97 GLY HA- 3.50 (# 2900:25 Unique 2.31, 2.70 A)
&rst
ixpk= 2900, nxpk= 25, iat=1523, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1518,1519,
&end
#
# 82 LYS HA 95 THR HA 3.50 (# 2902:25 Unique 2.07, 2.17 A)
&rst
ixpk= 2902, nxpk= 25, iat=1278,1488, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 82 LYS HG- 95 THR HA 4.50 (# 2903:25 Unique 2.27, 3.22 A)
&rst
ixpk= 2903, nxpk= 25, iat= -1,1488, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1283,1284,
&end
#
# 81 GLU HN 96 VAL HB 4.50 (# 2904:25 Unique 2.52, 2.73 A)
&rst
ixpk= 2904, nxpk= 25, iat=1261,1504, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2905 96 VAL HB 5.50 (# 2905:25 Single Ambig)
&rst
ixpk= 2905, nxpk= 25, iat= -1,1504, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1488,1643,
&end
#
# 0 AMB 25-2:2906 0 AMB 25-1:2906 4.50 (# 2906:25 Double Ambig)
&rst
ixpk= 2906, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1502,2257,1263,
igr2=1504,2231,2232,
&end
#
# 0 AMB 25-2:2908 96 VAL MGX 3.50 (# 2908:25 Single Ambig)
&rst
ixpk= 2908, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1268,1269,1610,1611,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 97 GLY HA- 96 VAL MGX 5.50 (# 2909:25 Unique 3.80, 6.19 A)
&rst
ixpk= 2909, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1518,1519,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 79 VAL HN 96 VAL MGX 4.50 (# 2910:25 Unique 3.58, 6.09 A)
&rst
ixpk= 2910, nxpk= 25, iat=1234, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 99 LEU HN 98 GLU HB- 4.50 (# 2911:25 Unique 4.17, 4.44 A)
&rst
ixpk= 2911, nxpk= 25, iat=1538, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1527,1528,
&end
#
# 99 LEU MDY 99 LEU HG 3.50 (# 2912:25 Unique 2.41, 2.67 A)
&rst
ixpk= 2912, nxpk= 25, iat= -1,1545, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1547,1548,1549,1551,1552,1553,
&end
#
# 99 LEU MDX 99 LEU HG 3.50 (# 2913:25 Unique 2.41, 2.67 A)
&rst
ixpk= 2913, nxpk= 25, iat= -1,1545, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1547,1548,1549,1551,1552,1553,
&end
#
# 0 AMB 25-2:2914 99 LEU HG 5.50 (# 2914:25 Single Ambig)
&rst
ixpk= 2914, nxpk= 25, iat= -1,1545, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1559, 271,1578,
&end
#
# 102 VAL MGX 99 LEU HG 5.50 (# 2915:25 Unique 2.42, 4.31 A)
&rst
ixpk= 2915, nxpk= 25, iat= -1,1545, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1582,1583,1584,1586,1587,1588,
&end
#
# 99 LEU HA 99 LEU HG 5.50 (# 2916:25 Unique 3.00, 3.18 A)
&rst
ixpk= 2916, nxpk= 25, iat=1540,1545, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 105 TYR HE 99 LEU HG 5.50 (# 2917:25 Unique 4.76, 6.08 A)
&rst
ixpk= 2917, nxpk= 25, iat= -1,1545, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1630,1635,
&end
#
# 0 AMB 25-2:2918 102 VAL HB 3.50 (# 2918:25 Single Ambig)
&rst
ixpk= 2918, nxpk= 25, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1578,1596,1597,
&end
#
# 0 AMB 25-2:2919 0 AMB 25-1:2919 5.50 (# 2919:25 Double Ambig)
&rst
ixpk= 2919, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 109, 117,1615,1616,
igr2=1596,1597,1596,1597,1596,1597,
&end
#
# 59 PRO HG- 59 PRO HA 5.50 (# 2920:25 Unique 2.78, 3.49 A)
&rst
ixpk= 2920, nxpk= 25, iat= -1, 908, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 902, 903,
&end
#
# 0 AMB 25-2:2921 104 GLN HA 5.50 (# 2921:25 Single Ambig)
&rst
ixpk= 2921, nxpk= 25, iat= -1,1605, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1594,1540,
&end
#
# 103 SER HA 104 GLN HG+ 5.50 (# 2922:25 Unique 4.15, 4.91 A)
&rst
ixpk= 2922, nxpk= 25, iat=1594, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1610,1611,
&end
#
# 103 SER HA 104 GLN HG- 5.50 (# 2923:25 Unique 4.15, 4.91 A)
&rst
ixpk= 2923, nxpk= 25, iat=1594, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1610,1611,
&end
#
# 96 VAL MGX 104 GLN HG+ 5.50 (# 2924:25 Unique 2.95, 6.18 A)
&rst
ixpk= 2924, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1506,1507,1508,1510,1511,1512,
igr2=1610,1611,
&end
#
# 105 TYR HA 105 TYR HB+ 5.50 (# 2925:25 Unique 2.29, 2.43 A)
&rst
ixpk= 2925, nxpk= 25, iat=1622, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1624,1625,
&end
#
# 0 AMB 25-2:2926 106 LEU HA 5.50 (# 2926:25 Single Ambig)
&rst
ixpk= 2926, nxpk= 25, iat= -1,1643, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1641,1009,
&end
#
# 0 AMB 25-2:2927 106 LEU HA 4.50 (# 2927:25 Single Ambig)
&rst
ixpk= 2927, nxpk= 25, iat= -1,1643, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1516,1500,
&end
#
# 96 VAL MGY 106 LEU HA 5.50 (# 2928:25 Unique 3.91, 5.15 A)
&rst
ixpk= 2928, nxpk= 25, iat= -1,1643, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 106 LEU HA 106 LEU HG 5.50 (# 2929:25 Unique 2.38, 2.46 A)
&rst
ixpk= 2929, nxpk= 25, iat=1643,1648, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 108 CYS HA 108 CYS HB+ 5.50 (# 2930:25 Unique 2.38, 2.73 A)
&rst
ixpk= 2930, nxpk= 25, iat=1673, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1675,1676,
&end
#
# 108 CYS HA 108 CYS HB- 5.50 (# 2931:25 Unique 2.38, 2.73 A)
&rst
ixpk= 2931, nxpk= 25, iat=1673, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1675,1676,
&end
#
# 108 CYS HN 108 CYS HB+ 5.50 (# 2932:25 Unique 2.74, 3.17 A)
&rst
ixpk= 2932, nxpk= 25, iat=1671, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1675,1676,
&end
#
# 0 AMB 25-2:2934 0 AMB 25-1:2934 5.50 (# 2934:25 Double Ambig)
&rst
ixpk= 2934, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 974, 955,
igr2=1686,1687,1686,1687,
&end
#
# 109 SER HA 0 AMB 25-1:2935 2.80 (# 2935:25 Single Ambig)
&rst
ixpk= 2935, nxpk= 25, iat=1684, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1686,1687,1686,1687,
&end
#
# 0 AMB 25-2:2936 0 AMB 25-1:2936 4.50 (# 2936:25 Double Ambig)
&rst
ixpk= 2936, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 947, 948, 949,1716,1717,
igr2=1686,1687,1686,1687,1686,1687,
&end
#
# 0 AMB 25-2:2937 110 LEU HA 3.50 (# 2937:25 Single Ambig)
&rst
ixpk= 2937, nxpk= 25, iat= -1,1695, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1702,1703,1704,1706,1707,1708,1702,1703,1704,1706,
1707,1708,
&end
#
# 91 THR MG2 86 GLN HA 4.50 (# 2938:25 Unique 2.35, 3.53 A)
&rst
ixpk= 2938, nxpk= 25, iat= -1,1345, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1427,1428,1429,
&end
#
# 0 AMB 25-2:2939 0 AMB 25-1:2939 2.80 (# 2939:25 Double Ambig)
&rst
ixpk= 2939, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1803, 484,
igr2=1805,1806, 486, 487, 486, 487,
&end
#
# 0 AMB 25-2:2940 0 AMB 25-1:2940 5.50 (# 2940:25 Double Ambig)
&rst
ixpk= 2940, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1773,1801,
igr2=1777,1778,1777,1778,
&end
#
# 0 AMB 25-2:2941 0 AMB 25-1:2941 3.50 (# 2941:25 Double Ambig)
&rst
ixpk= 2941, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 406,1773,1801,
igr2= 410, 411,1777,1778,1805,1806,
&end
#
# 118 MET HN 118 MET HB+ 4.50 (# 2942:25 Unique 2.16, 2.77 A)
&rst
ixpk= 2942, nxpk= 25, iat=1812, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1816,1817,
&end
#
# 118 MET HN 118 MET HG- 5.50 (# 2943:25 Unique 2.23, 3.87 A)
&rst
ixpk= 2943, nxpk= 25, iat=1812, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1819,1820,
&end
#
# 0 AMB 25-2:2944 0 AMB 25-1:2944 5.50 (# 2944:25 Double Ambig)
&rst
ixpk= 2944, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1777,1778,1805,1806,
igr2=1819,1820,1819,1820,
&end
#
# 0 AMB 25-2:2945 118 MET HG- 5.50 (# 2945:25 Single Ambig)
&rst
ixpk= 2945, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1777,1778,1805,1806,
igr2=1819,1820,
&end
#
# 119 SER HA 119 SER HB+ 4.50 (# 2946:25 Unique 2.40, 2.57 A)
&rst
ixpk= 2946, nxpk= 25, iat=1831, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1833,1834,
&end
#
# 119 SER HA 119 SER HB- 4.50 (# 2947:25 Unique 2.40, 2.57 A)
&rst
ixpk= 2947, nxpk= 25, iat=1831, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1833,1834,
&end
#
# 119 SER HN 120 ILE HA 5.50 (# 2948:25 Unique 4.66, 5.10 A)
&rst
ixpk= 2948, nxpk= 25, iat=1829,1842, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2949 0 AMB 25-1:2949 5.50 (# 2949:25 Double Ambig)
&rst
ixpk= 2949, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1840,1859,
igr2=1850,1851,1850,1851,
&end
#
# 96 VAL MGX 81 GLU HG- 4.50 (# 2950:25 Unique 2.24, 6.13 A)
&rst
ixpk= 2950, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1506,1507,1508,1510,1511,1512,
igr2=1268,1269,
&end
#
# 122 GLU HA 122 GLU HG+ 3.50 (# 2951:25 Unique 2.41, 3.17 A)
&rst
ixpk= 2951, nxpk= 25, iat=1876, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1881,1882,
&end
#
# 122 GLU HA 122 GLU HG- 3.50 (# 2952:25 Unique 2.41, 3.17 A)
&rst
ixpk= 2952, nxpk= 25, iat=1876, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1881,1882,
&end
#
# 150 ARG HA 0 AMB 25-1:2953 4.50 (# 2953:25 Single Ambig)
&rst
ixpk= 2953, nxpk= 25, iat=2298, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=2303,2304,2303,2304,
&end
#
# 126 LEU HN 126 LEU HA 4.50 (# 2954:25 Unique 2.92, 2.94 A)
&rst
ixpk= 2954, nxpk= 25, iat=1937,1939, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 50 GLY HN 47 LEU MDY 5.50 (# 2955:25 Unique 4.01, 5.75 A)
&rst
ixpk= 2955, nxpk= 25, iat= 769, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 52 TRP HN 47 LEU MDY 5.50 (# 2956:25 Unique 3.09, 5.36 A)
&rst
ixpk= 2956, nxpk= 25, iat= 793, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 724, 725, 726, 728, 729, 730,
&end
#
# 0 AMB 25-2:2957 127 THR HA 5.50 (# 2957:25 Single Ambig)
&rst
ixpk= 2957, nxpk= 25, iat= -1,1958, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 878, 879, 880,1946,1947,1948,1950,1951,1952,1946,
1947,1948,1950,1951,1952,1723,1724,1725,
&end
#
# 0 AMB 25-2:2958 127 THR MG2 3.50 (# 2958:25 Single Ambig)
&rst
ixpk= 2958, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1956,2005,
igr2=1962,1963,1964,
&end
#
# 129 ASP HN 129 ASP HB- 3.50 (# 2959:25 Unique 2.41, 2.55 A)
&rst
ixpk= 2959, nxpk= 25, iat=1982, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1986,1987,
&end
#
# 0 AMB 25-2:2960 0 AMB 25-1:2960 5.50 (# 2960:25 Double Ambig)
&rst
ixpk= 2960, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=13.98, r4=14.73,
igr1=1702,1703,1704,1706,1707,1708,1702,1703,1704,1706,
1707,1708,1723,1724,1725,1946,1947,1948,1950,1951,
1952,1946,1947,1948,1950,1951,1952,
igr2=1998,1999,1998,1999,1998,1999,1998,1999,1998,1999,
&end
#
# 130 CYS HA 130 CYS HB- 5.50 (# 2961:25 Unique 2.35, 2.75 A)
&rst
ixpk= 2961, nxpk= 25, iat=1996, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1998,1999,
&end
#
# 127 THR HA 130 CYS HB- 5.50 (# 2962:25 Unique 2.30, 3.43 A)
&rst
ixpk= 2962, nxpk= 25, iat=1958, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1998,1999,
&end
#
# 131 ALA HN 130 CYS HB+ 5.50 (# 2963:25 Unique 2.53, 3.34 A)
&rst
ixpk= 2963, nxpk= 25, iat=2005, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1998,1999,
&end
#
# 131 ALA HN 130 CYS HB- 5.50 (# 2964:25 Unique 2.53, 3.34 A)
&rst
ixpk= 2964, nxpk= 25, iat=2005, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1998,1999,
&end
#
# 135 LEU HN 135 LEU HA 5.50 (# 2966:25 Unique 2.83, 2.94 A)
&rst
ixpk= 2966, nxpk= 25, iat=2075,2077, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2968 135 LEU HA 5.50 (# 2968:25 Single Ambig)
&rst
ixpk= 2968, nxpk= 25, iat= -1,2077, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1380,1381,1397,1398,
&end
#
# 135 LEU MDY 0 AMB 25-1:2969 5.50 (# 2969:25 Single Ambig)
&rst
ixpk= 2969, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=2084,2085,2086,2088,2089,2090,
igr2=2079,2080,2079,2080,
&end
#
# 136 SER HB- 136 SER HA 4.50 (# 2970:25 Unique 2.34, 2.70 A)
&rst
ixpk= 2970, nxpk= 25, iat= -1,2096, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2098,2099,
&end
#
# 136 SER HN 136 SER HB+ 4.50 (# 2971:25 Unique 2.43, 3.58 A)
&rst
ixpk= 2971, nxpk= 25, iat=2094, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2098,2099,
&end
#
# 0 AMB 25-2:2972 27 SER HB- 3.50 (# 2972:25 Single Ambig)
&rst
ixpk= 2972, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 406, 417,
igr2= 410, 411,
&end
#
# 136 SER HN 136 SER HB- 4.50 (# 2973:25 Unique 2.43, 3.58 A)
&rst
ixpk= 2973, nxpk= 25, iat=2094, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2098,2099,
&end
#
# 118 MET HN 0 AMB 25-1:2974 5.50 (# 2974:25 Single Ambig)
&rst
ixpk= 2974, nxpk= 25, iat=1812, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1805,1806,1777,1778,
&end
#
# 0 AMB 25-2:2976 0 AMB 25-1:2976 2.80 (# 2976:25 Double Ambig)
&rst
ixpk= 2976, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=2109,2110,2109,2110,
igr2=2114,2115,2116,2118,2119,2120,2114,2115,2116,2118,
2119,2120,
&end
#
# 137 LEU HB- 0 AMB 25-1:2977 2.80 (# 2977:25 Single Ambig)
&rst
ixpk= 2977, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=2109,2110,
igr2=2114,2115,2116,2118,2119,2120,2114,2115,2116,2118,
2119,2120,
&end
#
# 0 AMB 25-2:2978 143 ASP HB- 4.50 (# 2978:25 Single Ambig)
&rst
ixpk= 2978, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=2214,2215,2216,2218,2219,2220,2214,2215,2216,2218,
2219,2220,
igr2=2200,2201,
&end
#
# 0 AMB 25-2:2979 144 VAL HA 4.50 (# 2979:25 Single Ambig)
&rst
ixpk= 2979, nxpk= 25, iat= -1,2210, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2228,2229,2228,2229,2189,2190,
&end
#
# 56 VAL MGX 42 VAL HA 5.50 (# 2980:25 Unique 3.42, 5.19 A)
&rst
ixpk= 2980, nxpk= 25, iat= -1, 644, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 855, 856, 857, 859, 860, 861,
&end
#
# 0 AMB 25-2:2981 0 AMB 25-1:2981 2.80 (# 2981:25 Double Ambig)
&rst
ixpk= 2981, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1=2214,2215,2216,2218,2219,2220,2214,2215,2216,2218,
2219,2220, 578, 579,
igr2=2212, 905, 906,
&end
#
# 156 ARG HN 155 GLY HA- 3.50 (# 2982:25 Unique 2.18, 2.72 A)
&rst
ixpk= 2982, nxpk= 25, iat=2395, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2390,2391,
&end
#
# 0 AMB 25-2:2983 152 LEU HA 2.80 (# 2983:25 Single Ambig)
&rst
ixpk= 2983, nxpk= 25, iat= -1,2332, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2349,2330,
&end
#
# 125 ARG HN 0 AMB 25-1:2984 5.50 (# 2984:25 Single Ambig)
&rst
ixpk= 2984, nxpk= 25, iat=1913, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr2=1946,1947,1948,1950,1951,1952,1946,1947,1948,1950,
1951,1952,
&end
#
# 160 GLU HA 160 GLU HB- 3.50 (# 2985:25 Unique 2.36, 2.74 A)
&rst
ixpk= 2985, nxpk= 25, iat=2463, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2465,2466,
&end
#
# 0 AMB 25-2:2986 0 AMB 25-1:2986 2.80 (# 2986:25 Double Ambig)
&rst
ixpk= 2986, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.32, r4= 7.07,
igr1= 316, 360, 96, 97, 96, 97,1058,1064,1065,1064,
1065,
igr2= 362, 363, 362, 363,1099,1100,1099,1100,1099,1100,
1099,1100,
&end
#
# 0 AMB 25-2:2988 0 AMB 25-1:2988 5.50 (# 2988:25 Double Ambig)
&rst
ixpk= 2988, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1= 96, 97, 96, 97,1058,
igr2=1055,1056,1055,1056,1055,1056,
&end
#
# 106 LEU HN 106 LEU HG 5.50 (# 2989:25 Unique 3.40, 4.32 A)
&rst
ixpk= 2989, nxpk= 25, iat=1641,1648, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2990 0 AMB 25-1:2990 5.50 (# 2990:25 Double Ambig)
&rst
ixpk= 2990, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 574,1896,
igr2= 598, 599, 598, 599,
&end
#
# 0 AMB 25-2:2993 0 AMB 25-1:2993 4.50 (# 2993:25 Double Ambig)
&rst
ixpk= 2993, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=2125,2126,2098,2099,
igr2=2131,2132,2131,2132,
&end
#
# 143 ASP HN 142 PRO HB- 5.50 (# 2995:25 Unique 2.73, 4.39 A)
&rst
ixpk= 2995, nxpk= 25, iat=2196, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2189,2190,
&end
#
# 144 VAL HN 145 PRO HD- 5.50 (# 2996:25 Unique 4.43, 4.91 A)
&rst
ixpk= 2996, nxpk= 25, iat=2208, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2225,2226,
&end
#
# 0 AMB 25-2:2997 66 ILE MD1 5.50 (# 2997:25 Single Ambig)
&rst
ixpk= 2997, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1028, 993,
igr2=1022,1023,1024,
&end
#
# 61 MET HN 61 MET HA 5.50 (# 2999:25 Unique 2.87, 2.93 A)
&rst
ixpk= 2999, nxpk= 25, iat= 936, 938, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 LEU HN 61 MET HA 4.50 (# 3000:25 Unique 2.23, 2.36 A)
&rst
ixpk= 3000, nxpk= 25, iat= 953, 938, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 TRP HN 61 MET HA 5.50 (# 3001:25 Unique 4.53, 4.75 A)
&rst
ixpk= 3001, nxpk= 25, iat= 912, 938, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 MET HB+ 61 MET HA 3.50 (# 3002:25 Unique 2.32, 2.44 A)
&rst
ixpk= 3002, nxpk= 25, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 940, 941,
&end
#
# 61 MET HB- 61 MET HA 2.80 (# 3003:25 Unique 2.32, 2.44 A)
&rst
ixpk= 3003, nxpk= 25, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 940, 941,
&end
#
# 57 ILE HG1- 61 MET HA 5.50 (# 3004:25 Unique 4.80, 5.55 A)
&rst
ixpk= 3004, nxpk= 25, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 875, 876,
&end
#
# 61 MET HA 61 MET HG+ 5.50 (# 3006:25 Unique 3.66, 3.85 A)
&rst
ixpk= 3006, nxpk= 25, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 943, 944,
&end
#
# 61 MET HA 61 MET HG- 5.50 (# 3007:25 Unique 3.66, 3.85 A)
&rst
ixpk= 3007, nxpk= 25, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 943, 944,
&end
#
# 81 GLU HN 0 AMB 25-1:3008 5.50 (# 3008:25 Single Ambig)
&rst
ixpk= 3008, nxpk= 25, iat=1261, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1216,1217,1216,1217,
&end
#
# 62 LEU HA 62 LEU HB+ 5.50 (# 3009:25 Unique 2.45, 2.82 A)
&rst
ixpk= 3009, nxpk= 25, iat= 955, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 957, 958,
&end
#
# 63 SER HN 62 LEU HB+ 5.50 (# 3010:25 Unique 4.00, 4.31 A)
&rst
ixpk= 3010, nxpk= 25, iat= 972, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 957, 958,
&end
#
# 112 SER HN 62 LEU HB+ 5.50 (# 3011:25 Unique 4.77, 5.93 A)
&rst
ixpk= 3011, nxpk= 25, iat=1729, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 957, 958,
&end
#
# 0 AMB 25-2:3012 0 AMB 25-1:3012 5.50 (# 3012:25 Double Ambig)
&rst
ixpk= 3012, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1= 960,1697,1698,1697,1698,
igr2= 957, 958, 957, 958, 957, 958,
&end
#
# 0 AMB 25-2:3013 0 AMB 25-1:3013 4.50 (# 3013:25 Double Ambig)
&rst
ixpk= 3013, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
igr2= 957, 958, 957, 958,
&end
#
# 63 SER HN 62 LEU HG 5.50 (# 3014:25 Unique 3.12, 3.77 A)
&rst
ixpk= 3014, nxpk= 25, iat= 972, 960, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:3015 0 AMB 25-1:3015 3.50 (# 3015:25 Double Ambig)
&rst
ixpk= 3015, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 842, 843, 842, 843,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 57 ILE HN 0 AMB 25-1:3016 5.50 (# 3016:25 Single Ambig)
&rst
ixpk= 3016, nxpk= 25, iat= 865, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr2= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 62 LEU HN 62 LEU HB- 5.50 (# 3017:25 Unique 2.61, 2.96 A)
&rst
ixpk= 3017, nxpk= 25, iat= 953, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 957, 958,
&end
#
# 140 THR HB 0 AMB 25-1:3018 3.50 (# 3018:25 Single Ambig)
&rst
ixpk= 3018, nxpk= 25, iat=2158, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr2=2144,2145,2146,2148,2149,2150,2144,2145,2146,2148,
2149,2150,
&end
#
# 138 PRO HA 0 AMB 25-1:3019 4.50 (# 3019:25 Single Ambig)
&rst
ixpk= 3019, nxpk= 25, iat=2134, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr2=2144,2145,2146,2148,2149,2150,2144,2145,2146,2148,
2149,2150,
&end
#
# 139 VAL HB 0 AMB 25-1:3020 2.80 (# 3020:25 Single Ambig)
&rst
ixpk= 3020, nxpk= 25, iat=2142, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr2=2144,2145,2146,2148,2149,2150,2144,2145,2146,2148,
2149,2150,
&end
#
# 0 AMB 25-2:3021 0 AMB 25-1:3021 3.50 (# 3021:25 Double Ambig)
&rst
ixpk= 3021, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1500,1324,1435,
igr2=1650,1651,1652,1654,1655,1656,1333,1334,1335,1337,
1338,1339,
&end
#
# 0 AMB 25-2:3022 21 GLU HB- 4.50 (# 3022:25 Single Ambig)
&rst
ixpk= 3022, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 254, 255, 269, 358,
igr2= 303, 304,
&end
#
# 0 AMB 25-2:3023 0 AMB 25-1:3023 5.50 (# 3023:25 Double Ambig)
&rst
ixpk= 3023, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1403,1408,1355,1356,
igr2=1397,1398,1397,1398,
&end
#
# 89 TYR HD 89 TYR HB+ 5.50 (# 3024:25 Unique 2.30, 3.09 A)
&rst
ixpk= 3024, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1401,1410,
igr2=1397,1398,
&end
#
# 46 THR HA 45 PHE HB+ 5.50 (# 3025:25 Unique 4.15, 5.07 A)
&rst
ixpk= 3025, nxpk= 25, iat= 703, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 685, 686,
&end
#
# 46 THR HA 45 PHE HB- 5.50 (# 3026:25 Unique 4.15, 5.07 A)
&rst
ixpk= 3026, nxpk= 25, iat= 703, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 685, 686,
&end
#
# 46 THR HN 45 PHE HB+ 5.50 (# 3029:25 Unique 1.84, 2.85 A)
&rst
ixpk= 3029, nxpk= 25, iat= 701, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 685, 686,
&end
#
# 46 THR HN 45 PHE HB- 5.50 (# 3030:25 Unique 1.84, 2.85 A)
&rst
ixpk= 3030, nxpk= 25, iat= 701, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 685, 686,
&end
#
# 57 ILE HN 56 VAL HA 3.50 (# 3031:25 Unique 2.18, 2.26 A)
&rst
ixpk= 3031, nxpk= 25, iat= 865, 851, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:3032 105 TYR HA 5.50 (# 3032:25 Single Ambig)
&rst
ixpk= 3032, nxpk= 25, iat= -1,1622, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1648,1645,1646,1013,
&end
#
# 162 ALA HN 161 ASN HA 5.50 (# 3033:25 Unique 2.23, 2.40 A)
&rst
ixpk= 3033, nxpk= 25, iat=2490,2478, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 161 ASN HB+ 161 ASN HA 4.50 (# 3034:25 Unique 2.31, 2.75 A)
&rst
ixpk= 3034, nxpk= 25, iat= -1,2478, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2480,2481,
&end
#
# 134 ILE MD1 133 MET ME 3.50 (# 3035:25 Unique 4.83, 7.07 A)
&rst
ixpk= 3035, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2069,2070,2071,
igr2=2050,2051,2052,
&end
#
# 134 ILE HA 133 MET ME 4.50 (# 3039:25 Unique 4.39, 5.61 A)
&rst
ixpk= 3039, nxpk= 25, iat=2058, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2050,2051,2052,
&end
#
# 58 THR HA 58 THR HB 5.50 (# 3040:25 Unique 2.41, 2.50 A)
&rst
ixpk= 3040, nxpk= 25, iat= 886, 888, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:3041 0 AMB 25-1:3041 2.80 (# 3041:25 Double Ambig)
&rst
ixpk= 3041, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1265,1266, 362, 363,
igr2=1268,1269, 306, 307,
&end
#
# 0 AMB 25-2:3042 5 ILE HB 3.50 (# 3042:25 Single Ambig)
&rst
ixpk= 3042, nxpk= 25, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 4.84, r4= 5.59,
igr1= 78, 79, 80,1052,1053,1052,1053,
&end
#
# 39 PRO HD+ 38 MET HA 3.50 (# 3043:25 Unique 2.07, 2.44 A)
&rst
ixpk= 3043, nxpk= 25, iat= -1, 576, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 592, 593,
&end
#
# 0 AMB 25-2:3044 0 AMB 25-1:3044 5.50 (# 3044:25 Double Ambig)
&rst
ixpk= 3044, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 578, 579,1119,
igr2= 576, 86,
&end
#
# 52 TRP HD1 0 AMB 25-1:3045 5.50 (# 3045:25 Single Ambig)
&rst
ixpk= 3045, nxpk= 25, iat= 801, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1064,1065,1064,1065,
&end
#
# 8 PHE HD 8 PHE HA 4.50 (# 3046:25 Unique 2.54, 3.59 A)
&rst
ixpk= 3046, nxpk= 25, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 109, 117,
&end
#
# 0 AMB 25-2:3047 133 MET HA 3.50 (# 3047:25 Single Ambig)
&rst
ixpk= 3047, nxpk= 25, iat= -1,2041, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2046,2047,2046,2047,
&end
#
# 12 PRO HA 12 PRO HB+ 5.50 (# 3048:25 Unique 2.28, 2.53 A)
&rst
ixpk= 3048, nxpk= 25, iat= 173, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 170, 171,
&end
#
# 12 PRO HA 12 PRO HB- 5.50 (# 3049:25 Unique 2.28, 2.53 A)
&rst
ixpk= 3049, nxpk= 25, iat= 173, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 170, 171,
&end
#
# 14 ALA HN 13 LYS HA 5.50 (# 3050:25 Unique 3.54, 3.59 A)
&rst
ixpk= 3050, nxpk= 25, iat= 199, 179, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:3051 0 AMB 25-1:3051 2.80 (# 3051:25 Double Ambig)
&rst
ixpk= 3051, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 532,2349,
igr2= 515,2351,
&end
#
# 20 PHE HN 19 ALA HA 3.50 (# 3052:25 Unique 3.59, 3.61 A)
&rst
ixpk= 3052, nxpk= 25, iat= 279, 271, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 VAL MGX 96 VAL HA 3.50 (# 3053:25 Unique 2.43, 3.17 A)
&rst
ixpk= 3053, nxpk= 25, iat= -1,1502, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 20 PHE HA 20 PHE HB+ 4.50 (# 3054:25 Unique 2.63, 2.84 A)
&rst
ixpk= 3054, nxpk= 25, iat= 281, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 283, 284,
&end
#
# 23 ILE MD1 23 ILE HB 3.50 (# 3055:25 Unique 2.39, 3.03 A)
&rst
ixpk= 3055, nxpk= 25, iat= -1, 333, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 342, 343, 344,
&end
#
# 58 THR MG2 24 ALA MB 5.50 (# 3056:25 Unique 2.84, 5.59 A)
&rst
ixpk= 3056, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 890, 891, 892,
igr2= 352, 353, 354,
&end
#
# 53 THR HA 66 ILE MD1 5.50 (# 3060:25 Unique 2.30, 4.92 A)
&rst
ixpk= 3060, nxpk= 25, iat= 819, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1022,1023,1024,
&end
#
# 53 THR HB 66 ILE MD1 5.50 (# 3061:25 Unique 3.83, 5.90 A)
&rst
ixpk= 3061, nxpk= 25, iat= 821, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1022,1023,1024,
&end
#
# 0 AMB 25-2:3062 66 ILE MD1 5.50 (# 3062:25 Single Ambig)
&rst
ixpk= 3062, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 738, 739,1470,1471,
igr2=1022,1023,1024,
&end
#
# 73 LEU HB- 0 AMB 25-1:3063 4.50 (# 3063:25 Single Ambig)
&rst
ixpk= 3063, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1116,1117,
igr2= 57, 58, 57, 58,
&end
#
# 51 GLN HB- 51 GLN HA 5.50 (# 3064:25 Unique 2.31, 2.70 A)
&rst
ixpk= 3064, nxpk= 25, iat= -1, 778, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 780, 781,
&end
#
# 51 GLN HE2+ 51 GLN HG- 5.50 (# 3065:25 Unique 2.23, 3.40 A)
&rst
ixpk= 3065, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 788, 789,
igr2= 783, 784,
&end
#
# 51 GLN HN 51 GLN HG- 5.50 (# 3066:25 Unique 2.11, 3.33 A)
&rst
ixpk= 3066, nxpk= 25, iat= 776, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 783, 784,
&end
#
# 66 ILE MG2 51 GLN HG+ 5.50 (# 3067:25 Unique 2.23, 4.54 A)
&rst
ixpk= 3067, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1015,1016,1017,
igr2= 783, 784,
&end
#
# 66 ILE MG2 51 GLN HG- 5.50 (# 3068:25 Unique 2.23, 4.54 A)
&rst
ixpk= 3068, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1015,1016,1017,
igr2= 783, 784,
&end
#
# 52 TRP HN 51 GLN HB+ 5.50 (# 3069:25 Unique 2.83, 3.56 A)
&rst
ixpk= 3069, nxpk= 25, iat= 793, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 780, 781,
&end
#
# 51 GLN HA 51 GLN HB+ 5.50 (# 3070:25 Unique 2.31, 2.70 A)
&rst
ixpk= 3070, nxpk= 25, iat= 778, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 780, 781,
&end
#
# 82 LYS HN 82 LYS HD- 5.50 (# 3071:25 Unique 4.47, 5.09 A)
&rst
ixpk= 3071, nxpk= 25, iat=1276, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1286,1287,
&end
#
# 114 LEU HB+ 114 LEU HA 2.80 (# 3072:25 Unique 2.29, 2.78 A)
&rst
ixpk= 3072, nxpk= 25, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1758,1759,
&end
#
# 45 PHE HA 45 PHE HB- 5.50 (# 3073:25 Unique 2.33, 2.60 A)
&rst
ixpk= 3073, nxpk= 25, iat= 683, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 685, 686,
&end
#
# 134 ILE HN 134 ILE HG1- 5.50 (# 3074:25 Unique 2.22, 2.89 A)
&rst
ixpk= 3074, nxpk= 25, iat=2056, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2066,2067,
&end
#
# 58 THR HN 57 ILE HG1- 5.50 (# 3076:25 Unique 2.08, 2.66 A)
&rst
ixpk= 3076, nxpk= 25, iat= 884, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 875, 876,
&end
#
# 0 AMB 25-2:3077 57 ILE HB 5.50 (# 3077:25 Single Ambig)
&rst
ixpk= 3077, nxpk= 25, iat= -1, 869, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 960, 875, 876,
&end
#
# 66 ILE HN 66 ILE HG1- 5.50 (# 3078:25 Unique 2.59, 3.70 A)
&rst
ixpk= 3078, nxpk= 25, iat=1009, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1019,1020,
&end
#
# 94 PHE HD 94 PHE HB+ 5.50 (# 3079:25 Unique 2.30, 3.10 A)
&rst
ixpk= 3079, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1474,1482,
igr2=1470,1471,
&end
#
# 154 PHE HD 154 PHE HB- 4.50 (# 3080:25 Unique 2.32, 3.09 A)
&rst
ixpk= 3080, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2376,2384,
igr2=2372,2373,
&end
#
# 61 MET HA 112 SER HB+ 5.50 (# 3081:25 Unique 3.33, 4.49 A)
&rst
ixpk= 3081, nxpk= 25, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1733,1734,
&end
#
# 0 AMB 25-2:3082 88 PRO HB- 5.50 (# 3082:25 Single Ambig)
&rst
ixpk= 3082, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1389,2077,
igr2=1386,1387,
&end
#
# 0 AMB 25-2:3083 0 AMB 25-1:3083 2.80 (# 3083:25 Double Ambig)
&rst
ixpk= 3083, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1369,1370,1371,1373,1374,1375,1506,1507,1508,1510,
1511,1512,
igr2=1367,1195,1196,1195,1196,
&end
#
# 66 ILE MD1 87 LEU MDX 3.50 (# 3084:25 Unique 2.40, 5.59 A)
&rst
ixpk= 3084, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1022,1023,1024,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 85 LEU MDY 87 LEU MDX 3.50 (# 3085:25 Unique 2.46, 6.75 A)
&rst
ixpk= 3085, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1333,1334,1335,1337,1338,1339,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 85 LEU MDX 87 LEU MDX 3.50 (# 3086:25 Unique 2.46, 6.75 A)
&rst
ixpk= 3086, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1333,1334,1335,1337,1338,1339,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 0 AMB 25-2:3087 0 AMB 25-1:3087 4.50 (# 3087:25 Double Ambig)
&rst
ixpk= 3087, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1380,1381, 662, 663, 662, 663,
igr2=1369,1370,1371,1373,1374,1375, 184, 185, 184, 185,
&end
#
# 0 AMB 25-2:3088 87 LEU MDY 4.50 (# 3088:25 Single Ambig)
&rst
ixpk= 3088, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1401,1410,1474,1482,
igr2=1369,1370,1371,1373,1374,1375,
&end
#
# 145 PRO HD- 144 VAL MGX 5.50 (# 3089:25 Unique 2.10, 4.60 A)
&rst
ixpk= 3089, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2225,2226,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 143 ASP HB- 144 VAL MGX 5.50 (# 3090:25 Unique 3.01, 6.93 A)
&rst
ixpk= 3090, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2200,2201,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 0 AMB 25-2:3091 0 AMB 25-1:3091 3.50 (# 3091:25 Double Ambig)
&rst
ixpk= 3091, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2421,2397,
igr2=2423,2424,2399,2400,
&end
#
# 0 AMB 25-2:3092 0 AMB 25-1:3092 3.50 (# 3092:25 Double Ambig)
&rst
ixpk= 3092, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2421,2397,
igr2=2423,2424,2399,2400,
&end
#
# 0 AMB 25-2:3093 0 AMB 25-1:3093 3.50 (# 3093:25 Double Ambig)
&rst
ixpk= 3093, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2419,2454,
igr2=2421,2397,
&end
#
# 134 ILE HG1+ 134 ILE HB 4.50 (# 3094:25 Unique 2.28, 2.75 A)
&rst
ixpk= 3094, nxpk= 25, iat= -1,2060, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2066,2067,
&end
#
# 5 ILE HN 4 GLU HB+ 4.50 (# 3095:25 Unique 2.14, 3.14 A)
&rst
ixpk= 3095, nxpk= 25, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 54, 55,
&end
#
# 0 AMB 25-2:3096 0 AMB 25-1:3096 3.50 (# 3096:25 Double Ambig)
&rst
ixpk= 3096, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=2128,2129,2128,2129, 249, 250, 595, 596,
igr2=2134, 607,
&end
#
# 62 LEU HN 61 MET HB+ 5.50 (# 3097:25 Unique 2.26, 3.18 A)
&rst
ixpk= 3097, nxpk= 25, iat= 953, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 940, 941,
&end
#
# 62 LEU HN 61 MET HB- 5.50 (# 3098:25 Unique 2.26, 3.18 A)
&rst
ixpk= 3098, nxpk= 25, iat= 953, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 940, 941,
&end
#
# 61 MET HA 61 MET HB- 5.50 (# 3099:25 Unique 2.32, 2.44 A)
&rst
ixpk= 3099, nxpk= 25, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 940, 941,
&end
#
# 61 MET HN 61 MET ME 4.50 (# 3100:25 Unique 3.41, 5.00 A)
&rst
ixpk= 3100, nxpk= 25, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 947, 948, 949,
&end
#
# 0 AMB 25-2:3101 36 PRO HB- 3.50 (# 3101:25 Single Ambig)
&rst
ixpk= 3101, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 902, 903, 550, 551,
igr2= 556, 557,
&end
#
# 36 PRO HD+ 36 PRO HB+ 5.50 (# 3102:25 Unique 2.72, 3.66 A)
&rst
ixpk= 3102, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 550, 551,
igr2= 556, 557,
&end
#
# 36 PRO HB+ 36 PRO HD- 5.50 (# 3103:25 Unique 2.72, 3.66 A)
&rst
ixpk= 3103, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 556, 557,
igr2= 550, 551,
&end
#
# 20 PHE HD 56 VAL MGX 4.50 (# 3104:25 Unique 2.48, 5.53 A)
&rst
ixpk= 3104, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 287, 295,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 0 AMB 25-2:3109 62 LEU HA 3.50 (# 3109:25 Single Ambig)
&rst
ixpk= 3109, nxpk= 25, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 960, 875, 876,
&end
#
# 0 AMB 25-2:3110 0 AMB 25-1:3110 4.50 (# 3110:25 Double Ambig)
&rst
ixpk= 3110, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2225,2226,2183,2184,2183,2184,
igr2=2234,2192,
&end
#
# 82 LYS HA 82 LYS HD+ 4.50 (# 3111:25 Unique 2.34, 4.38 A)
&rst
ixpk= 3111, nxpk= 25, iat=1278, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1286,1287,
&end
#
# 15 GLN HG+ 15 GLN HA 2.80 (# 3112:25 Unique 2.35, 2.76 A)
&rst
ixpk= 3112, nxpk= 25, iat= -1, 211, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 216, 217,
&end
#
# 59 PRO HD+ 58 THR HA 4.50 (# 3113:25 Unique 2.19, 2.84 A)
&rst
ixpk= 3113, nxpk= 25, iat= -1, 886, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 899, 900,
&end
#
# 139 VAL HN 138 PRO HA 2.80 (# 3114:25 Unique 2.19, 2.32 A)
&rst
ixpk= 3114, nxpk= 25, iat=2138,2134, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:3115 0 AMB 25-1:3115 4.50 (# 3115:25 Double Ambig)
&rst
ixpk= 3115, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=2272, 769,
igr2=2267,2268, 771, 772,
&end
#
# 0 AMB 25-2:3116 0 AMB 25-1:3116 4.50 (# 3116:25 Double Ambig)
&rst
ixpk= 3116, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1234,1276,
igr2=1219,1220,1283,1284,
&end
#
# 0 AMB 25-2:3117 0 AMB 25-1:3117 4.50 (# 3117:25 Double Ambig)
&rst
ixpk= 3117, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.00, r4= 9.75,
igr1=1225,1226,1225,1226,1289,1290,1289,1290,
igr2=1219,1220,1219,1220,1283,1284,1283,1284,
&end
#
# 0 AMB 25-2:3119 0 AMB 25-1:3119 3.50 (# 3119:25 Double Ambig)
&rst
ixpk= 3119, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 578, 579, 71, 72, 73,
igr2= 576, 86,
&end
#
# 0 AMB 25-2:3121 38 MET HA 3.50 (# 3121:25 Single Ambig)
&rst
ixpk= 3121, nxpk= 25, iat= -1, 576, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1846,1847,1848, 585, 586, 587,
&end
#
# 11 SER HA 11 SER HB+ 5.50 (# 3122:25 Unique 2.26, 2.66 A)
&rst
ixpk= 3122, nxpk= 25, iat= 154, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 156, 157,
&end
#
# 11 SER HN 11 SER HB- 5.50 (# 3123:25 Unique 2.51, 3.11 A)
&rst
ixpk= 3123, nxpk= 25, iat= 152, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 156, 157,
&end
#
# 0 AMB 25-2:3125 51 GLN HB- 5.50 (# 3125:25 Single Ambig)
&rst
ixpk= 3125, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 788, 789,1107,1108,
igr2= 780, 781,
&end
#
# 140 THR MG2 140 THR HB 2.80 (# 3126:25 Unique 2.42, 2.67 A)
&rst
ixpk= 3126, nxpk= 25, iat= -1,2158, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2160,2161,2162,
&end
#
# 59 PRO HD+ 59 PRO HG+ 5.50 (# 3127:25 Unique 2.32, 2.61 A)
&rst
ixpk= 3127, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 899, 900,
igr2= 902, 903,
&end
#
# 59 PRO HD+ 59 PRO HG- 5.50 (# 3128:25 Unique 2.32, 2.61 A)
&rst
ixpk= 3128, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 899, 900,
igr2= 902, 903,
&end
#
# 59 PRO HB+ 59 PRO HG+ 5.50 (# 3129:25 Unique 2.37, 2.63 A)
&rst
ixpk= 3129, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 905, 906,
igr2= 902, 903,
&end
#
# 59 PRO HB+ 59 PRO HG- 5.50 (# 3130:25 Unique 2.37, 2.63 A)
&rst
ixpk= 3130, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 905, 906,
igr2= 902, 903,
&end
#
# 59 PRO HB- 59 PRO HG- 5.50 (# 3131:25 Unique 2.37, 2.63 A)
&rst
ixpk= 3131, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 905, 906,
igr2= 902, 903,
&end
#
# 59 PRO HB- 59 PRO HG+ 5.50 (# 3132:25 Unique 2.37, 2.63 A)
&rst
ixpk= 3132, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 905, 906,
igr2= 902, 903,
&end
#
# 0 AMB 25-2:3133 59 PRO HA 5.50 (# 3133:25 Single Ambig)
&rst
ixpk= 3133, nxpk= 25, iat= -1, 908, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 899, 900, 916, 917,
&end
#
# 59 PRO HG- 59 PRO HD+ 5.50 (# 3134:25 Unique 2.32, 2.61 A)
&rst
ixpk= 3134, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 902, 903,
igr2= 899, 900,
&end
#
# 59 PRO HG+ 59 PRO HD- 5.50 (# 3135:25 Unique 2.32, 2.61 A)
&rst
ixpk= 3135, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 902, 903,
igr2= 899, 900,
&end
#
# 59 PRO HG- 59 PRO HB+ 5.50 (# 3136:25 Unique 2.37, 2.63 A)
&rst
ixpk= 3136, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 902, 903,
igr2= 905, 906,
&end
#
# 133 MET HN 132 ARG HB- 5.50 (# 3137:25 Unique 1.99, 3.96 A)
&rst
ixpk= 3137, nxpk= 25, iat=2039, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2019,2020,
&end
#
# 111 MET HB+ 111 MET HA 2.80 (# 3139:25 Unique 2.27, 2.66 A)
&rst
ixpk= 3139, nxpk= 25, iat= -1,1714, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1716,1717,
&end
#
# 111 MET HA 111 MET HG- 4.50 (# 3140:25 Unique 2.42, 3.26 A)
&rst
ixpk= 3140, nxpk= 25, iat=1714, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1719,1720,
&end
#
# 133 MET HN 0 AMB 25-1:3142 5.50 (# 3142:25 Single Ambig)
&rst
ixpk= 3142, nxpk= 25, iat=2039, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=2046,2047,2046,2047,
&end
#
# 0 AMB 25-2:3145 134 ILE MD1 2.80 (# 3145:25 Single Ambig)
&rst
ixpk= 3145, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=2060,1364,1365,1446,1447,1448,
igr2=2069,2070,2071,
&end
#
# 134 ILE HA 134 ILE MD1 5.50 (# 3146:25 Unique 4.65, 5.09 A)
&rst
ixpk= 3146, nxpk= 25, iat=2058, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2069,2070,2071,
&end
#
# 102 VAL HN 102 VAL HB 3.50 (# 3147:25 Unique 2.23, 2.73 A)
&rst
ixpk= 3147, nxpk= 25, iat=1576,1580, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 PRO HG- 12 PRO HA 5.50 (# 3149:25 Unique 2.87, 3.95 A)
&rst
ixpk= 3149, nxpk= 25, iat= -1, 173, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 167, 168,
&end
#
# 0 AMB 25-2:3150 12 PRO HD- 5.50 (# 3150:25 Single Ambig)
&rst
ixpk= 3150, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1624,1625,1580,
igr2= 164, 165,
&end
#
# 12 PRO HG- 12 PRO HD+ 5.50 (# 3151:25 Unique 2.30, 2.60 A)
&rst
ixpk= 3151, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 167, 168,
igr2= 164, 165,
&end
#
# 102 VAL MGY 12 PRO HD- 5.50 (# 3152:25 Unique 3.78, 7.05 A)
&rst
ixpk= 3152, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1582,1583,1584,1586,1587,1588,
igr2= 164, 165,
&end
#
# 102 VAL MGX 12 PRO HD- 5.50 (# 3154:25 Unique 3.78, 7.05 A)
&rst
ixpk= 3154, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1582,1583,1584,1586,1587,1588,
igr2= 164, 165,
&end
#
# 133 MET HA 133 MET HB- 4.50 (# 3155:25 Unique 2.35, 2.69 A)
&rst
ixpk= 3155, nxpk= 25, iat=2041, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2043,2044,
&end
#
# 76 LEU HN 75 PRO HB+ 4.50 (# 3156:25 Unique 2.84, 3.41 A)
&rst
ixpk= 3156, nxpk= 25, iat=1169, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1162,1163,
&end
#
# 0 AMB 25-2:3157 0 AMB 25-1:3157 5.50 (# 3157:25 Double Ambig)
&rst
ixpk= 3157, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1190,1165,
igr2=1173,1174,1173,1174,
&end
#
# 104 GLN HE2- 76 LEU HG 5.50 (# 3159:25 Unique 2.44, 4.27 A)
&rst
ixpk= 3159, nxpk= 25, iat= -1,1176, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1615,1616,
&end
#
# 144 VAL HN 144 VAL MGY 4.50 (# 3160:25 Unique 1.93, 3.64 A)
&rst
ixpk= 3160, nxpk= 25, iat=2208, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=2214,2215,2216,2218,2219,2220,
&end
#
# 0 AMB 25-2:3161 0 AMB 25-1:3161 2.80 (# 3161:25 Double Ambig)
&rst
ixpk= 3161, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1=1923,1924,1923,1924,1923,1924,2306,2307,2306,2307,
2306,2307,
igr2=1917,1918,1917,1918,1917,1918,2300,2301,2300,2301,
2300,2301,
&end
#
# 0 AMB 25-2:3162 0 AMB 25-1:3162 2.80 (# 3162:25 Double Ambig)
&rst
ixpk= 3162, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 382, 434,
igr2= 389, 390, 389, 390, 365, 366,
&end
#
# 8 PHE HA 9 GLN HG- 5.50 (# 3163:25 Unique 3.74, 5.07 A)
&rst
ixpk= 3163, nxpk= 25, iat= 103, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 128, 129,
&end
#
# 71 ASP HB- 71 ASP HA 3.50 (# 3164:25 Unique 2.41, 2.74 A)
&rst
ixpk= 3164, nxpk= 25, iat= -1,1085, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1087,1088,
&end
#
# 71 ASP HB+ 71 ASP HA 3.50 (# 3165:25 Unique 2.41, 2.74 A)
&rst
ixpk= 3165, nxpk= 25, iat= -1,1085, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1087,1088,
&end
#
# 70 PRO HB- 70 PRO HA 2.80 (# 3166:25 Unique 2.25, 2.58 A)
&rst
ixpk= 3166, nxpk= 25, iat= -1,1079, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1076,1077,
&end
#
# 36 PRO HB- 36 PRO HD+ 4.50 (# 3167:25 Unique 2.72, 3.66 A)
&rst
ixpk= 3167, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 556, 557,
igr2= 550, 551,
&end
#
# 36 PRO HB+ 36 PRO HD+ 5.50 (# 3169:25 Unique 2.72, 3.66 A)
&rst
ixpk= 3169, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 556, 557,
igr2= 550, 551,
&end
#
# 0 AMB 25-2:3170 68 PRO HA 3.50 (# 3170:25 Single Ambig)
&rst
ixpk= 3170, nxpk= 25, iat= -1,1058, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1055,1056,1055,1056,
&end
#
# 8 PHE HD 8 PHE HB+ 4.50 (# 3172:25 Unique 2.33, 3.08 A)
&rst
ixpk= 3172, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 109, 117,
igr2= 105, 106,
&end
#
# 0 AMB 25-2:3174 115 SER HA 3.50 (# 3174:25 Single Ambig)
&rst
ixpk= 3174, nxpk= 25, iat= -1,1775, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1773,1801,
&end
#
# 0 AMB 25-2:3175 0 AMB 25-1:3175 2.80 (# 3175:25 Double Ambig)
&rst
ixpk= 3175, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1=2399,2400,1216,1217,1216,1217, 428, 429, 430,
igr2=2397,1214, 419,
&end
#
# 0 AMB 25-2:3176 0 AMB 25-1:3176 2.80 (# 3176:25 Double Ambig)
&rst
ixpk= 3176, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=2423,2424,2399,2400, 365, 366,
igr2=2421,2397, 419,
&end
#
# 120 ILE O 124 GLN HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat=1857,1896, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,
rk2=40, rk3=40, ir6=1, ialtd=1,
&end
#
# 120 ILE O 124 GLN N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat=1857,1895, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 121 GLU O 125 ARG HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat=1872,1913, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 121 GLU O 125 ARG N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat=1872,1912, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 124 GLN O 128 ASP HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat=1911,1970, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 124 GLN O 128 ASP N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat=1911,1969, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 125 ARG O 129 ASP HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat=1935,1982, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 125 ARG O 129 ASP N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat=1935,1981, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 126 LEU O 130 CYS HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat=1954,1994, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 126 LEU O 130 CYS N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat=1954,1993, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 127 THR O 131 ALA HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat=1968,2005, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 127 THR O 131 ALA N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat=1968,2004, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 128 ASP O 132 ARG HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat=1980,2015, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 128 ASP O 132 ARG N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat=1980,2014, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 129 ASP O 133 MET HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat=1992,2039, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 129 ASP O 133 MET N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat=1992,2038, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 12 PRO O 16 VAL HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat= 175, 226, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 12 PRO O 16 VAL N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat= 175, 225, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 14 ALA O 18 ALA HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat= 207, 259, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 14 ALA O 18 ALA N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat= 207, 258, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 15 GLN O 19 ALA HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat= 224, 269, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 15 GLN O 19 ALA N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat= 224, 268, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 16 VAL O 20 PHE HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat= 240, 279, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 16 VAL O 20 PHE N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat= 240, 278, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 18 ALA O 22 GLU HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat= 267, 314, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 18 ALA O 22 GLU N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat= 267, 313, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 20 PHE O 24 ALA HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat= 297, 348, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 20 PHE O 24 ALA N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat= 297, 347, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 22 GLU O 26 ARG HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat= 327, 382, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 22 GLU O 26 ARG N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat= 327, 381, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 57 ILE O 41 TYR HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat= 882, 621, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 57 ILE O 41 TYR N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat= 882, 620, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 41 TYR O 57 ILE HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat= 640, 865, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 41 TYR O 57 ILE N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat= 640, 864, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 55 CYS O 43 SER HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat= 847, 658, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 55 CYS O 43 SER N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat= 847, 657, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 43 SER O 55 CYS HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat= 667, 838, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 43 SER O 55 CYS N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat= 667, 837, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 53 THR O 45 PHE HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat= 829, 681, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 53 THR O 45 PHE N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat= 829, 680, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 45 PHE O 53 THR HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat= 699, 817, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 45 PHE O 53 THR N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat= 699, 816, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 67 PHE O 52 TRP HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat=1046, 793, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 67 PHE O 52 TRP N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat=1046, 792, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 52 TRP O 67 PHE HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat= 815,1028, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 52 TRP O 67 PHE N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat= 815,1027, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 65 VAL O 54 GLY HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat=1007, 831, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 65 VAL O 54 GLY N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat=1007, 830, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 54 GLY O 65 VAL HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat= 836, 993, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 54 GLY O 65 VAL N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat= 836, 992, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 63 SER O 56 VAL HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat= 981, 849, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 63 SER O 56 VAL N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat= 981, 848, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 56 VAL O 63 SER HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat= 863, 972, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 56 VAL O 63 SER N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat= 863, 971, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 108 CYS O 64 ALA HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat=1680, 983, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 108 CYS O 64 ALA N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat=1680, 982, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 64 ALA O 108 CYS HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat= 991,1671, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 64 ALA O 108 CYS N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat= 991,1670, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 94 PHE O 83 ILE HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat=1484,1298, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 94 PHE O 83 ILE N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat=1484,1297, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 83 ILE O 94 PHE HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat=1315,1466, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 83 ILE O 94 PHE N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat=1315,1465, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 107 SER O 95 THR HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat=1669,1486, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 107 SER O 95 THR N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat=1669,1485, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 95 THR O 107 SER HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat=1498,1660, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 95 THR O 107 SER N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat=1498,1659, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 105 TYR O 97 GLY HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat=1639,1516, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 105 TYR O 97 GLY N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat=1639,1515, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 97 GLY O 105 TYR HN 1.80 2.30
&rst
ixpk= 0, nxpk= 0, iat=1521,1620, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 97 GLY O 105 TYR N 2.50 3.30
&rst
ixpk= 0, nxpk= 0, iat=1521,1619, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 61 MET HG+ 60 TRP HE1 5.50 (# 0:15 Unique 3.72, 5.03 A)
&rst
ixpk= 0, nxpk= 15, iat= -1, 922, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1= 943, 944,
&end
#
# 60 TRP HZ2 60 TRP HE1 3.50 (# 1:15 Unique 2.85, 2.87 A)
&rst
ixpk= 1, nxpk= 15, iat= 925, 922, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 TRP HD1 60 TRP HE1 2.80 (# 2:15 Unique 2.52, 2.55 A)
&rst
ixpk= 2, nxpk= 15, iat= 920, 922, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 61 MET ME 60 TRP HE1 4.50 (# 3:15 Unique 2.43, 4.63 A)
&rst
ixpk= 3, nxpk= 15, iat= -1, 922, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 947, 948, 949,
&end
#
# 0 AMB 15-2:5 52 TRP HE1 5.50 (# 5:15 Single Ambig)
&rst
ixpk= 5, nxpk= 15, iat= -1, 803, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 154,1102,1103,1099,1100,1099,1100,
&end
#
# 8 PHE HB+ 52 TRP HE1 4.50 (# 6:15 Unique 3.36, 5.53 A)
&rst
ixpk= 6, nxpk= 15, iat= -1, 803, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 105, 106,
&end
#
# 52 TRP HZ2 52 TRP HE1 4.50 (# 7:15 Unique 2.88, 2.93 A)
&rst
ixpk= 7, nxpk= 15, iat= 806, 803, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 8 PHE HA 52 TRP HE1 5.50 (# 8:15 Unique 4.77, 5.97 A)
&rst
ixpk= 8, nxpk= 15, iat= 103, 803, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 TRP HD1 52 TRP HE1 3.50 (# 9:15 Unique 2.51, 2.54 A)
&rst
ixpk= 9, nxpk= 15, iat= 801, 803, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:10 52 TRP HE1 4.50 (# 10:15 Single Ambig)
&rst
ixpk= 10, nxpk= 15, iat= -1, 803, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1064,1065,1064,1065,
&end
#
# 8 PHE HN 52 TRP HE1 5.50 (# 11:15 Unique 3.26, 5.07 A)
&rst
ixpk= 11, nxpk= 15, iat= 101, 803, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 8 PHE HB- 52 TRP HE1 4.50 (# 12:15 Unique 3.36, 5.53 A)
&rst
ixpk= 12, nxpk= 15, iat= -1, 803, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 105, 106,
&end
#
# 0 AMB 15-2:13 52 TRP HE1 5.50 (# 13:15 Single Ambig)
&rst
ixpk= 13, nxpk= 15, iat= -1, 803, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1070,1071,1070,1071,
&end
#
# 10 THR HA 52 TRP HE1 5.50 (# 14:15 Unique 2.56, 3.10 A)
&rst
ixpk= 14, nxpk= 15, iat= 140, 803, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 LEU MDY 52 TRP HE1 5.50 (# 15:15 Unique 3.33, 5.41 A)
&rst
ixpk= 15, nxpk= 15, iat= -1, 803, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 724, 725, 726, 728, 729, 730,
&end
#
# 38 MET HN 37 SER HN 3.50 (# 17:15 Unique 2.29, 2.76 A)
&rst
ixpk= 17, nxpk= 15, iat= 574, 563, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 37 SER HA 37 SER HN 2.80 (# 18:15 Unique 2.24, 2.85 A)
&rst
ixpk= 18, nxpk= 15, iat= 565, 563, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 37 SER HB+ 37 SER HN 5.50 (# 19:15 Unique 2.50, 3.22 A)
&rst
ixpk= 19, nxpk= 15, iat= -1, 563, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 567, 568,
&end
#
# 0 AMB 15-2:20 37 SER HN 5.50 (# 20:15 Single Ambig)
&rst
ixpk= 20, nxpk= 15, iat= -1, 563, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 553, 554, 553, 554,
&end
#
# 36 PRO HA 37 SER HN 5.50 (# 21:15 Unique 2.20, 2.54 A)
&rst
ixpk= 21, nxpk= 15, iat= 559, 563, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:23 74 TRP HE1 5.50 (# 23:15 Single Ambig)
&rst
ixpk= 23, nxpk= 15, iat= -1,1141, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1=1052,1053,1052,1053,1015,1016,1017,
&end
#
# 68 PRO HA 74 TRP HE1 4.50 (# 24:15 Unique 2.49, 3.88 A)
&rst
ixpk= 24, nxpk= 15, iat=1058,1141, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 TRP HA 74 TRP HE1 5.50 (# 25:15 Unique 4.48, 4.68 A)
&rst
ixpk= 25, nxpk= 15, iat=1133,1141, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:26 74 TRP HE1 4.50 (# 26:15 Single Ambig)
&rst
ixpk= 26, nxpk= 15, iat= -1,1141, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1099,1100,1099,1100, 780, 781,
&end
#
# 51 GLN HE2- 74 TRP HE1 5.50 (# 27:15 Unique 2.95, 5.11 A)
&rst
ixpk= 27, nxpk= 15, iat= -1,1141, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 788, 789,
&end
#
# 0 AMB 15-2:28 74 TRP HE1 4.50 (# 28:15 Single Ambig)
&rst
ixpk= 28, nxpk= 15, iat= -1,1141, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1107,1108, 788, 789,
&end
#
# 74 TRP HD1 74 TRP HE1 2.80 (# 29:15 Unique 2.53, 2.55 A)
&rst
ixpk= 29, nxpk= 15, iat=1139,1141, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:31 74 TRP HE1 5.50 (# 31:15 Single Ambig)
&rst
ixpk= 31, nxpk= 15, iat= -1,1141, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 783, 784, 780, 781,
&end
#
# 108 CYS HA 95 THR HN 5.50 (# 32:15 Unique 3.19, 3.49 A)
&rst
ixpk= 32, nxpk= 15, iat=1673,1486, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:33 74 TRP HE1 5.50 (# 33:15 Single Ambig)
&rst
ixpk= 33, nxpk= 15, iat= -1,1141, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1055,1056,1055,1056,
&end
#
# 0 AMB 15-2:34 95 THR HN 3.50 (# 34:15 Single Ambig)
&rst
ixpk= 34, nxpk= 15, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1675,1676,1492,1493,1494,
&end
#
# 94 PHE HB+ 95 THR HN 4.50 (# 35:15 Unique 2.86, 3.74 A)
&rst
ixpk= 35, nxpk= 15, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1470,1471,
&end
#
# 107 SER HN 95 THR HN 3.50 (# 36:15 Unique 2.85, 3.14 A)
&rst
ixpk= 36, nxpk= 15, iat=1660,1486, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:37 95 THR HN 2.80 (# 37:15 Single Ambig)
&rst
ixpk= 37, nxpk= 15, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1490,1664,1665,
&end
#
# 0 AMB 15-2:38 95 THR HN 4.50 (# 38:15 Single Ambig)
&rst
ixpk= 38, nxpk= 15, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1488,1643,
&end
#
# 94 PHE HD 95 THR HN 4.50 (# 39:15 Unique 3.83, 4.97 A)
&rst
ixpk= 39, nxpk= 15, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1474,1482,
&end
#
# 94 PHE HB- 95 THR HN 4.50 (# 40:15 Unique 2.86, 3.74 A)
&rst
ixpk= 40, nxpk= 15, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1470,1471,
&end
#
# 0 AMB 15-2:41 94 PHE HN 5.50 (# 41:15 Single Ambig)
&rst
ixpk= 41, nxpk= 15, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1333,1334,1335,1337,1338,1339,1650,1651,1652,1654,
1655,1656,
&end
#
# 0 AMB 15-2:42 94 PHE HN 5.50 (# 42:15 Single Ambig)
&rst
ixpk= 42, nxpk= 15, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1452,1317,
&end
#
# 0 AMB 15-2:43 94 PHE HN 5.50 (# 43:15 Single Ambig)
&rst
ixpk= 43, nxpk= 15, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1331,1283,1284,
&end
#
# 94 PHE HB+ 94 PHE HN 4.50 (# 44:15 Unique 2.31, 3.01 A)
&rst
ixpk= 44, nxpk= 15, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1470,1471,
&end
#
# 93 THR HB 94 PHE HN 5.50 (# 45:15 Unique 3.07, 3.43 A)
&rst
ixpk= 45, nxpk= 15, iat=1456,1466, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 84 GLY HA- 94 PHE HN 5.50 (# 46:15 Unique 3.58, 4.49 A)
&rst
ixpk= 46, nxpk= 15, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1319,1320,
&end
#
# 85 LEU HN 94 PHE HN 5.50 (# 47:15 Unique 3.14, 3.86 A)
&rst
ixpk= 47, nxpk= 15, iat=1324,1466, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 93 THR MG2 94 PHE HN 3.50 (# 49:15 Unique 3.48, 4.42 A)
&rst
ixpk= 49, nxpk= 15, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1458,1459,1460,
&end
#
# 0 AMB 15-2:50 94 PHE HN 2.80 (# 50:15 Single Ambig)
&rst
ixpk= 50, nxpk= 15, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1454,1468,
&end
#
# 95 THR HN 94 PHE HN 5.50 (# 51:15 Unique 4.32, 4.43 A)
&rst
ixpk= 51, nxpk= 15, iat=1486,1466, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 94 PHE HD 94 PHE HN 3.50 (# 52:15 Unique 2.57, 4.16 A)
&rst
ixpk= 52, nxpk= 15, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1474,1482,
&end
#
# 94 PHE HB- 94 PHE HN 5.50 (# 53:15 Unique 2.31, 3.01 A)
&rst
ixpk= 53, nxpk= 15, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1470,1471,
&end
#
# 83 ILE HN 94 PHE HN 4.50 (# 54:15 Unique 2.73, 2.90 A)
&rst
ixpk= 54, nxpk= 15, iat=1298,1466, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 THR MG2 46 THR HN 4.50 (# 55:15 Unique 2.53, 3.84 A)
&rst
ixpk= 55, nxpk= 15, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 707, 708, 709,
&end
#
# 45 PHE HB- 46 THR HN 4.50 (# 56:15 Unique 1.84, 2.85 A)
&rst
ixpk= 56, nxpk= 15, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 685, 686,
&end
#
# 46 THR HB 46 THR HN 4.50 (# 57:15 Unique 2.00, 2.40 A)
&rst
ixpk= 57, nxpk= 15, iat= 705, 701, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 45 PHE HB+ 46 THR HN 5.50 (# 58:15 Unique 1.84, 2.85 A)
&rst
ixpk= 58, nxpk= 15, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 685, 686,
&end
#
# 45 PHE HA 46 THR HN 2.80 (# 59:15 Unique 2.05, 2.35 A)
&rst
ixpk= 59, nxpk= 15, iat= 683, 701, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 56 VAL MGX 63 SER HN 5.50 (# 62:15 Unique 2.77, 4.64 A)
&rst
ixpk= 62, nxpk= 15, iat= -1, 972, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 855, 856, 857, 859, 860, 861,
&end
#
# 0 AMB 15-2:63 63 SER HN 5.50 (# 63:15 Single Ambig)
&rst
ixpk= 63, nxpk= 15, iat= -1, 972, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 957, 958, 987, 988, 989,
&end
#
# 0 AMB 15-2:64 63 SER HN 5.50 (# 64:15 Single Ambig)
&rst
ixpk= 64, nxpk= 15, iat= -1, 972, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 960,1697,1698,1697,1698,
&end
#
# 0 AMB 15-2:65 63 SER HN 5.50 (# 65:15 Single Ambig)
&rst
ixpk= 65, nxpk= 15, iat= -1, 972, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 947, 948, 949, 957, 958,
&end
#
# 57 ILE HA 63 SER HN 4.50 (# 66:15 Unique 3.43, 3.56 A)
&rst
ixpk= 66, nxpk= 15, iat= 867, 972, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 63 SER HB- 63 SER HN 4.50 (# 67:15 Unique 2.52, 3.28 A)
&rst
ixpk= 67, nxpk= 15, iat= -1, 972, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 976, 977,
&end
#
# 0 AMB 15-2:68 63 SER HN 4.50 (# 68:15 Single Ambig)
&rst
ixpk= 68, nxpk= 15, iat= -1, 972, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 849, 983,
&end
#
# 0 AMB 15-2:69 63 SER HN 3.50 (# 69:15 Single Ambig)
&rst
ixpk= 69, nxpk= 15, iat= -1, 972, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 0 AMB 15-2:70 63 SER HN 2.80 (# 70:15 Single Ambig)
&rst
ixpk= 70, nxpk= 15, iat= -1, 972, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 955, 974,
&end
#
# 63 SER HB+ 63 SER HN 4.50 (# 71:15 Unique 2.52, 3.28 A)
&rst
ixpk= 71, nxpk= 15, iat= -1, 972, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 976, 977,
&end
#
# 53 THR HA 67 PHE HN 5.50 (# 72:15 Unique 3.46, 3.93 A)
&rst
ixpk= 72, nxpk= 15, iat= 819,1028, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 TRP HB+ 67 PHE HN 4.50 (# 74:15 Unique 2.77, 3.94 A)
&rst
ixpk= 74, nxpk= 15, iat= -1,1028, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 797, 798,
&end
#
# 67 PHE HB+ 67 PHE HN 4.50 (# 75:15 Unique 2.62, 3.12 A)
&rst
ixpk= 75, nxpk= 15, iat= -1,1028, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1032,1033,
&end
#
# 54 GLY HN 65 VAL HN 5.50 (# 76:15 Unique 2.68, 2.93 A)
&rst
ixpk= 76, nxpk= 15, iat= 831, 993, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:77 65 VAL HN 5.50 (# 77:15 Single Ambig)
&rst
ixpk= 77, nxpk= 15, iat= -1, 993, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 983, 849,
&end
#
# 66 ILE HA 67 PHE HN 2.80 (# 78:15 Unique 2.21, 2.26 A)
&rst
ixpk= 78, nxpk= 15, iat=1011,1028, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:79 67 PHE HN 5.50 (# 79:15 Single Ambig)
&rst
ixpk= 79, nxpk= 15, iat= -1,1028, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1022,1023,1024,1650,1651,1652,1654,1655,1656,
&end
#
# 0 AMB 15-2:80 67 PHE HN 3.50 (# 80:15 Single Ambig)
&rst
ixpk= 80, nxpk= 15, iat= -1,1028, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1015,1016,1017,1019,1020,
&end
#
# 0 AMB 15-2:81 65 VAL HN 3.50 (# 81:15 Single Ambig)
&rst
ixpk= 81, nxpk= 15, iat= -1, 993, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 987, 988, 989, 823, 824, 825,
&end
#
# 55 CYS HA 65 VAL HN 3.50 (# 82:15 Unique 2.82, 2.96 A)
&rst
ixpk= 82, nxpk= 15, iat= 840, 993, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 64 ALA HA 65 VAL HN 2.80 (# 83:15 Unique 2.28, 2.32 A)
&rst
ixpk= 83, nxpk= 15, iat= 985, 993, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:84 110 LEU HN 5.50 (# 84:15 Single Ambig)
&rst
ixpk= 84, nxpk= 15, iat= -1,1693, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1702,1703,1704,1706,1707,1708,1702,1703,1704,1706,
1707,1708,
&end
#
# 65 VAL MGX 65 VAL HN 2.80 (# 85:15 Unique 2.49, 3.76 A)
&rst
ixpk= 85, nxpk= 15, iat= -1, 993, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 999,1000,1001,1003,1004,1005,
&end
#
# 67 PHE HB- 67 PHE HN 4.50 (# 86:15 Unique 2.62, 3.12 A)
&rst
ixpk= 86, nxpk= 15, iat= -1,1028, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1032,1033,
&end
#
# 65 VAL HA 65 VAL HN 5.50 (# 87:15 Unique 2.93, 2.95 A)
&rst
ixpk= 87, nxpk= 15, iat= 995, 993, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 VAL MGY 65 VAL HN 4.50 (# 88:15 Unique 2.49, 3.76 A)
&rst
ixpk= 88, nxpk= 15, iat= -1, 993, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 999,1000,1001,1003,1004,1005,
&end
#
# 62 LEU HB+ 110 LEU HN 4.50 (# 89:15 Unique 3.84, 4.87 A)
&rst
ixpk= 89, nxpk= 15, iat= -1,1693, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 957, 958,
&end
#
# 0 AMB 15-2:90 110 LEU HN 4.50 (# 90:15 Single Ambig)
&rst
ixpk= 90, nxpk= 15, iat= -1,1693, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1697,1698,1697,1698,
&end
#
# 110 LEU HG 110 LEU HN 5.50 (# 91:15 Unique 2.62, 3.88 A)
&rst
ixpk= 91, nxpk= 15, iat=1700,1693, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 MET HN 110 LEU HN 4.50 (# 92:15 Unique 2.01, 2.27 A)
&rst
ixpk= 92, nxpk= 15, iat=1712,1693, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 63 SER HA 110 LEU HN 4.50 (# 93:15 Unique 2.04, 2.38 A)
&rst
ixpk= 93, nxpk= 15, iat= 974,1693, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:95 110 LEU HN 2.80 (# 95:15 Single Ambig)
&rst
ixpk= 95, nxpk= 15, iat= -1,1693, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1684,1695,
&end
#
# 134 ILE MD1 65 VAL HN 5.50 (# 96:15 Unique 3.98, 5.68 A)
&rst
ixpk= 96, nxpk= 15, iat= -1, 993, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2069,2070,2071,
&end
#
# 0 AMB 15-2:97 110 LEU HN 5.50 (# 97:15 Single Ambig)
&rst
ixpk= 97, nxpk= 15, iat= -1,1693, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 983,1682,
&end
#
# 0 AMB 15-2:98 110 LEU HN 4.50 (# 98:15 Single Ambig)
&rst
ixpk= 98, nxpk= 15, iat= -1,1693, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1686,1687,1686,1687, 976, 977,
&end
#
# 0 AMB 15-2:99 83 ILE HN 4.50 (# 99:15 Single Ambig)
&rst
ixpk= 99, nxpk= 15, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1506,1507,1508,1510,1511,1512,1304,1305,1306,
&end
#
# 0 AMB 15-2:100 83 ILE HN 5.50 (# 100:15 Single Ambig)
&rst
ixpk= 100, nxpk= 15, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1317,1452,
&end
#
# 82 LYS HN 83 ILE HN 5.50 (# 101:15 Unique 4.44, 4.48 A)
&rst
ixpk= 101, nxpk= 15, iat=1276,1298, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:102 83 ILE HN 2.80 (# 102:15 Single Ambig)
&rst
ixpk= 102, nxpk= 15, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1280,1281,1283,1284,1328,1329,
&end
#
# 95 THR HA 83 ILE HN 3.50 (# 103:15 Unique 3.48, 3.53 A)
&rst
ixpk= 103, nxpk= 15, iat=1488,1298, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 82 LYS HA 83 ILE HN 2.80 (# 104:15 Unique 2.13, 2.16 A)
&rst
ixpk= 104, nxpk= 15, iat=1278,1298, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 94 PHE HB+ 83 ILE HN 5.50 (# 105:15 Unique 3.80, 4.38 A)
&rst
ixpk= 105, nxpk= 15, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1470,1471,
&end
#
# 94 PHE HN 83 ILE HN 4.50 (# 106:15 Unique 2.73, 2.90 A)
&rst
ixpk= 106, nxpk= 15, iat=1466,1298, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:107 83 ILE HN 5.50 (# 107:15 Single Ambig)
&rst
ixpk= 107, nxpk= 15, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1311,1312,1313,1650,1651,1652,1654,1655,1656,
&end
#
# 93 THR MG2 83 ILE HN 3.50 (# 108:15 Unique 3.32, 4.64 A)
&rst
ixpk= 108, nxpk= 15, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1458,1459,1460,
&end
#
# 0 AMB 15-2:109 83 ILE HN 3.50 (# 109:15 Single Ambig)
&rst
ixpk= 109, nxpk= 15, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1302,1286,1287,
&end
#
# 82 LYS HB+ 83 ILE HN 4.50 (# 110:15 Unique 2.73, 3.44 A)
&rst
ixpk= 110, nxpk= 15, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1280,1281,
&end
#
# 0 AMB 15-2:111 83 ILE HN 4.50 (# 111:15 Single Ambig)
&rst
ixpk= 111, nxpk= 15, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1300,1319,1320,
&end
#
# 0 AMB 15-2:112 83 ILE HN 5.50 (# 112:15 Single Ambig)
&rst
ixpk= 112, nxpk= 15, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1454,1468,
&end
#
# 0 AMB 15-2:113 83 ILE HN 5.50 (# 113:15 Single Ambig)
&rst
ixpk= 113, nxpk= 15, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1500,1324,
&end
#
# 94 PHE HE 108 CYS HN 5.50 (# 114:15 Unique 3.17, 5.05 A)
&rst
ixpk= 114, nxpk= 15, iat= -1,1671, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1476,1480,
&end
#
# 107 SER HB- 108 CYS HN 4.50 (# 115:15 Unique 2.58, 3.42 A)
&rst
ixpk= 115, nxpk= 15, iat= -1,1671, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1664,1665,
&end
#
# 108 CYS HA 108 CYS HN 5.50 (# 116:15 Unique 2.90, 2.96 A)
&rst
ixpk= 116, nxpk= 15, iat=1673,1671, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 108 CYS HB+ 108 CYS HN 4.50 (# 117:15 Unique 2.74, 3.17 A)
&rst
ixpk= 117, nxpk= 15, iat= -1,1671, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1675,1676,
&end
#
# 107 SER HA 108 CYS HN 2.80 (# 118:15 Unique 2.26, 2.31 A)
&rst
ixpk= 118, nxpk= 15, iat=1662,1671, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:119 108 CYS HN 4.50 (# 119:15 Single Ambig)
&rst
ixpk= 119, nxpk= 15, iat= -1,1671, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1675,1676, 999,1000,1001,1003,1004,1005,
&end
#
# 107 SER HN 108 CYS HN 5.50 (# 120:15 Unique 4.40, 4.45 A)
&rst
ixpk= 120, nxpk= 15, iat=1660,1671, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:121 108 CYS HN 4.50 (# 121:15 Single Ambig)
&rst
ixpk= 121, nxpk= 15, iat= -1,1671, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 987, 988, 989,1700,
&end
#
# 94 PHE HD 108 CYS HN 4.50 (# 122:15 Unique 3.24, 5.02 A)
&rst
ixpk= 122, nxpk= 15, iat= -1,1671, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1474,1482,
&end
#
# 0 AMB 15-2:123 108 CYS HN 4.50 (# 123:15 Single Ambig)
&rst
ixpk= 123, nxpk= 15, iat= -1,1671, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 983,1682,
&end
#
# 0 AMB 15-2:124 74 TRP HN 5.50 (# 124:15 Single Ambig)
&rst
ixpk= 124, nxpk= 15, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1119, 75, 76,
&end
#
# 73 LEU HB+ 74 TRP HN 5.50 (# 125:15 Unique 3.85, 4.29 A)
&rst
ixpk= 125, nxpk= 15, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1116,1117,
&end
#
# 74 TRP HB- 74 TRP HN 3.50 (# 126:15 Unique 2.13, 2.79 A)
&rst
ixpk= 126, nxpk= 15, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1135,1136,
&end
#
# 0 AMB 15-2:127 74 TRP HN 3.50 (# 127:15 Single Ambig)
&rst
ixpk= 127, nxpk= 15, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1121,1122,1123,1125,1126,1127,1121,1122,1123,1125,
1126,1127,
&end
#
# 73 LEU HB- 74 TRP HN 4.50 (# 128:15 Unique 3.85, 4.29 A)
&rst
ixpk= 128, nxpk= 15, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1116,1117,
&end
#
# 74 TRP HB+ 74 TRP HN 4.50 (# 129:15 Unique 2.13, 2.79 A)
&rst
ixpk= 129, nxpk= 15, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1135,1136,
&end
#
# 73 LEU HA 74 TRP HN 2.80 (# 130:15 Unique 2.14, 2.20 A)
&rst
ixpk= 130, nxpk= 15, iat=1114,1131, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 5 ILE HN 74 TRP HN 3.50 (# 131:15 Unique 2.83, 3.22 A)
&rst
ixpk= 131, nxpk= 15, iat= 65,1131, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:132 74 TRP HN 3.50 (# 132:15 Single Ambig)
&rst
ixpk= 132, nxpk= 15, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 69, 54, 55,
&end
#
# 74 TRP HA 74 TRP HN 4.50 (# 133:15 Unique 2.88, 2.93 A)
&rst
ixpk= 133, nxpk= 15, iat=1133,1131, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 TRP HD1 74 TRP HN 5.50 (# 134:15 Unique 2.75, 3.59 A)
&rst
ixpk= 134, nxpk= 15, iat=1139,1131, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 LEU MDX 48 PHE HN 5.50 (# 135:15 Unique 3.26, 5.69 A)
&rst
ixpk= 135, nxpk= 15, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 724, 725, 726, 728, 729, 730,
&end
#
# 0 AMB 15-2:136 48 PHE HN 4.50 (# 136:15 Single Ambig)
&rst
ixpk= 136, nxpk= 15, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 823, 824, 825, 761, 762, 758, 759,
&end
#
# 47 LEU HB- 48 PHE HN 4.50 (# 137:15 Unique 3.26, 4.14 A)
&rst
ixpk= 137, nxpk= 15, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 719, 720,
&end
#
# 48 PHE HB- 48 PHE HN 4.50 (# 138:15 Unique 2.02, 3.00 A)
&rst
ixpk= 138, nxpk= 15, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 738, 739,
&end
#
# 53 THR HN 48 PHE HN 5.50 (# 139:15 Unique 3.75, 4.52 A)
&rst
ixpk= 139, nxpk= 15, iat= 817, 734, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 GLY HA+ 48 PHE HN 5.50 (# 140:15 Unique 4.56, 5.73 A)
&rst
ixpk= 140, nxpk= 15, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 771, 772,
&end
#
# 48 PHE HB+ 48 PHE HN 4.50 (# 141:15 Unique 2.02, 3.00 A)
&rst
ixpk= 141, nxpk= 15, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 738, 739,
&end
#
# 51 GLN HN 48 PHE HN 5.50 (# 142:15 Unique 2.45, 3.17 A)
&rst
ixpk= 142, nxpk= 15, iat= 776, 734, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:143 48 PHE HN 2.80 (# 143:15 Single Ambig)
&rst
ixpk= 143, nxpk= 15, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 717, 736,
&end
#
# 48 PHE HD 48 PHE HN 4.50 (# 144:15 Unique 1.97, 4.15 A)
&rst
ixpk= 144, nxpk= 15, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 742, 750,
&end
#
# 56 VAL MGX 57 ILE HN 4.50 (# 145:15 Unique 2.35, 4.04 A)
&rst
ixpk= 145, nxpk= 15, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 855, 856, 857, 859, 860, 861,
&end
#
# 56 VAL HB 57 ILE HN 5.50 (# 146:15 Unique 3.95, 4.02 A)
&rst
ixpk= 146, nxpk= 15, iat= 853, 865, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 TYR HD 57 ILE HN 5.50 (# 147:15 Unique 4.21, 5.73 A)
&rst
ixpk= 147, nxpk= 15, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 629, 638,
&end
#
# 56 VAL MGY 57 ILE HN 3.50 (# 148:15 Unique 2.35, 4.04 A)
&rst
ixpk= 148, nxpk= 15, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 855, 856, 857, 859, 860, 861,
&end
#
# 0 AMB 15-2:149 57 ILE HN 2.80 (# 149:15 Single Ambig)
&rst
ixpk= 149, nxpk= 15, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 871, 872, 873, 648, 649, 650, 652, 653, 654, 962,
963, 964, 966, 967, 968,
&end
#
# 56 VAL HA 57 ILE HN 2.80 (# 150:15 Unique 2.18, 2.26 A)
&rst
ixpk= 150, nxpk= 15, iat= 851, 865, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:151 57 ILE HN 5.50 (# 151:15 Single Ambig)
&rst
ixpk= 151, nxpk= 15, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 869, 609,
&end
#
# 0 AMB 15-2:152 57 ILE HN 4.50 (# 152:15 Single Ambig)
&rst
ixpk= 152, nxpk= 15, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 644, 886,
&end
#
# 0 AMB 15-2:153 57 ILE HN 3.50 (# 153:15 Single Ambig)
&rst
ixpk= 153, nxpk= 15, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1962,1963,1964, 875, 876,
&end
#
# 40 VAL HA 57 ILE HN 5.50 (# 154:15 Unique 4.20, 4.45 A)
&rst
ixpk= 154, nxpk= 15, iat= 607, 865, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 TYR HN 57 ILE HN 5.50 (# 155:15 Unique 2.69, 2.77 A)
&rst
ixpk= 155, nxpk= 15, iat= 621, 865, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:156 57 ILE HN 5.50 (# 156:15 Single Ambig)
&rst
ixpk= 156, nxpk= 15, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 658, 953, 242,
&end
#
# 57 ILE HA 57 ILE HN 5.50 (# 157:15 Unique 2.93, 2.96 A)
&rst
ixpk= 157, nxpk= 15, iat= 867, 865, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 LEU MDY 47 LEU HN 5.50 (# 158:15 Unique 3.94, 4.87 A)
&rst
ixpk= 158, nxpk= 15, iat= -1, 715, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 724, 725, 726, 728, 729, 730,
&end
#
# 46 THR HA 47 LEU HN 2.80 (# 159:15 Unique 2.14, 2.36 A)
&rst
ixpk= 159, nxpk= 15, iat= 703, 715, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 47 LEU MDX 47 LEU HN 4.50 (# 160:15 Unique 3.94, 4.87 A)
&rst
ixpk= 160, nxpk= 15, iat= -1, 715, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 724, 725, 726, 728, 729, 730,
&end
#
# 47 LEU HB- 47 LEU HN 3.50 (# 162:15 Unique 2.29, 3.00 A)
&rst
ixpk= 162, nxpk= 15, iat= -1, 715, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 719, 720,
&end
#
# 0 AMB 15-2:163 47 LEU HN 2.80 (# 163:15 Single Ambig)
&rst
ixpk= 163, nxpk= 15, iat= -1, 715, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 719, 720, 707, 708, 709,
&end
#
# 0 AMB 15-2:164 47 LEU HN 4.50 (# 164:15 Single Ambig)
&rst
ixpk= 164, nxpk= 15, iat= -1, 715, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 717, 736,
&end
#
# 48 PHE HD 47 LEU HN 5.50 (# 165:15 Unique 4.93, 6.76 A)
&rst
ixpk= 165, nxpk= 15, iat= -1, 715, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 742, 750,
&end
#
# 135 LEU MDX 47 LEU HN 5.50 (# 166:15 Unique 6.25, 7.96 A)
&rst
ixpk= 166, nxpk= 15, iat= -1, 715, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2084,2085,2086,2088,2089,2090,
&end
#
# 46 THR HB 47 LEU HN 5.50 (# 167:15 Unique 3.59, 3.88 A)
&rst
ixpk= 167, nxpk= 15, iat= 705, 715, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 9 GLN HG- 9 GLN HN 4.50 (# 169:15 Unique 2.31, 3.31 A)
&rst
ixpk= 169, nxpk= 15, iat= -1, 121, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 128, 129,
&end
#
# 9 GLN HB- 9 GLN HN 3.50 (# 171:15 Unique 2.21, 3.00 A)
&rst
ixpk= 171, nxpk= 15, iat= -1, 121, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 125, 126,
&end
#
# 9 GLN HB+ 9 GLN HN 3.50 (# 172:15 Unique 2.21, 3.00 A)
&rst
ixpk= 172, nxpk= 15, iat= -1, 121, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 125, 126,
&end
#
# 8 PHE HB+ 9 GLN HN 5.50 (# 173:15 Unique 2.15, 3.07 A)
&rst
ixpk= 173, nxpk= 15, iat= -1, 121, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 105, 106,
&end
#
# 10 THR HN 9 GLN HN 3.50 (# 174:15 Unique 2.33, 2.60 A)
&rst
ixpk= 174, nxpk= 15, iat= 138, 121, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 9 GLN HG+ 9 GLN HN 4.50 (# 175:15 Unique 2.31, 3.31 A)
&rst
ixpk= 175, nxpk= 15, iat= -1, 121, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 128, 129,
&end
#
# 9 GLN HA 9 GLN HN 4.50 (# 176:15 Unique 2.86, 2.90 A)
&rst
ixpk= 176, nxpk= 15, iat= 123, 121, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 8 PHE HD 9 GLN HN 5.50 (# 177:15 Unique 3.74, 4.93 A)
&rst
ixpk= 177, nxpk= 15, iat= -1, 121, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 109, 117,
&end
#
# 0 AMB 15-2:178 5 ILE HN 4.50 (# 178:15 Single Ambig)
&rst
ixpk= 178, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 50, 84,
&end
#
# 0 AMB 15-2:179 130 CYS HN 5.50 (# 179:15 Single Ambig)
&rst
ixpk= 179, nxpk= 15, iat= -1,1994, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1984,1960,
&end
#
# 0 AMB 15-2:180 130 CYS HN 5.50 (# 180:15 Single Ambig)
&rst
ixpk= 180, nxpk= 15, iat= -1,1994, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 130 CYS HB- 130 CYS HN 3.50 (# 181:15 Unique 2.36, 2.85 A)
&rst
ixpk= 181, nxpk= 15, iat= -1,1994, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1998,1999,
&end
#
# 130 CYS HB+ 130 CYS HN 4.50 (# 182:15 Unique 2.36, 2.85 A)
&rst
ixpk= 182, nxpk= 15, iat= -1,1994, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1998,1999,
&end
#
# 131 ALA HN 130 CYS HN 4.50 (# 183:15 Unique 2.58, 2.66 A)
&rst
ixpk= 183, nxpk= 15, iat=2005,1994, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 129 ASP HN 130 CYS HN 5.50 (# 184:15 Unique 2.64, 2.74 A)
&rst
ixpk= 184, nxpk= 15, iat=1982,1994, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 130 CYS HA 130 CYS HN 4.50 (# 185:15 Unique 2.78, 2.83 A)
&rst
ixpk= 185, nxpk= 15, iat=1996,1994, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 TRP HN 5 ILE HN 4.50 (# 186:15 Unique 2.83, 3.22 A)
&rst
ixpk= 186, nxpk= 15, iat=1131, 65, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 128 ASP HB+ 130 CYS HN 4.50 (# 187:15 Unique 4.80, 5.32 A)
&rst
ixpk= 187, nxpk= 15, iat= -1,1994, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1974,1975,
&end
#
# 0 AMB 15-2:188 130 CYS HN 5.50 (# 188:15 Single Ambig)
&rst
ixpk= 188, nxpk= 15, iat= -1,1994, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=2009,2010,2011,2022,2023,1920,1921,1920,1921,
&end
#
# 5 ILE MG2 5 ILE HN 4.50 (# 189:15 Unique 4.24, 4.66 A)
&rst
ixpk= 189, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 71, 72, 73,
&end
#
# 5 ILE HG1- 5 ILE HN 4.50 (# 190:15 Unique 2.25, 3.44 A)
&rst
ixpk= 190, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 75, 76,
&end
#
# 5 ILE HA 5 ILE HN 4.50 (# 192:15 Unique 2.91, 2.97 A)
&rst
ixpk= 192, nxpk= 15, iat= 67, 65, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 73 LEU HA 5 ILE HN 5.50 (# 193:15 Unique 3.54, 3.86 A)
&rst
ixpk= 193, nxpk= 15, iat=1114, 65, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 5 ILE HG1+ 5 ILE HN 4.50 (# 194:15 Unique 2.25, 3.44 A)
&rst
ixpk= 194, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 75, 76,
&end
#
# 0 AMB 15-2:195 5 ILE HN 4.50 (# 195:15 Single Ambig)
&rst
ixpk= 195, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 57, 58, 57, 58,
&end
#
# 94 PHE HB- 107 SER HN 5.50 (# 196:15 Unique 2.89, 3.94 A)
&rst
ixpk= 196, nxpk= 15, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1470,1471,
&end
#
# 0 AMB 15-2:197 107 SER HN 5.50 (# 197:15 Single Ambig)
&rst
ixpk= 197, nxpk= 15, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 8.20, r4= 8.95,
igr1= 999,1000,1001,1003,1004,1005,1675,1676,1492,1493,
1494,
&end
#
# 106 LEU MDY 107 SER HN 4.50 (# 198:15 Unique 3.28, 5.59 A)
&rst
ixpk= 198, nxpk= 15, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1650,1651,1652,1654,1655,1656,
&end
#
# 107 SER HA 107 SER HN 4.50 (# 199:15 Unique 2.91, 2.97 A)
&rst
ixpk= 199, nxpk= 15, iat=1662,1660, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 106 LEU HB- 107 SER HN 5.50 (# 200:15 Unique 3.11, 3.87 A)
&rst
ixpk= 200, nxpk= 15, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1645,1646,
&end
#
# 0 AMB 15-2:201 107 SER HN 3.50 (# 201:15 Single Ambig)
&rst
ixpk= 201, nxpk= 15, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1664,1665,1490,
&end
#
# 95 THR HN 107 SER HN 4.50 (# 202:15 Unique 2.85, 3.14 A)
&rst
ixpk= 202, nxpk= 15, iat=1486,1660, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 99 LEU HN 100 ASP HN 5.50 (# 203:15 Unique 4.32, 4.48 A)
&rst
ixpk= 203, nxpk= 15, iat=1538,1557, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 106 LEU HA 107 SER HN 2.80 (# 204:15 Unique 2.16, 2.22 A)
&rst
ixpk= 204, nxpk= 15, iat=1643,1660, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 94 PHE HD 107 SER HN 4.50 (# 205:15 Unique 3.19, 5.05 A)
&rst
ixpk= 205, nxpk= 15, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1474,1482,
&end
#
# 99 LEU HB+ 100 ASP HN 5.50 (# 206:15 Unique 4.07, 4.28 A)
&rst
ixpk= 206, nxpk= 15, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1542,1543,
&end
#
# 99 LEU MDY 100 ASP HN 4.50 (# 207:15 Unique 2.03, 4.50 A)
&rst
ixpk= 207, nxpk= 15, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1547,1548,1549,1551,1552,1553,
&end
#
# 100 ASP HA 100 ASP HN 3.50 (# 208:15 Unique 2.77, 2.80 A)
&rst
ixpk= 208, nxpk= 15, iat=1559,1557, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:209 100 ASP HN 5.50 (# 209:15 Single Ambig)
&rst
ixpk= 209, nxpk= 15, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 273, 274, 275,1542,1543,
&end
#
# 0 AMB 15-2:210 100 ASP HN 2.80 (# 210:15 Single Ambig)
&rst
ixpk= 210, nxpk= 15, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1561,1562,1561,1562,
&end
#
# 0 AMB 15-2:211 107 SER HN 4.50 (# 211:15 Single Ambig)
&rst
ixpk= 211, nxpk= 15, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1645,1646,1648,
&end
#
# 101 GLY HN 100 ASP HN 5.50 (# 212:15 Unique 4.55, 4.63 A)
&rst
ixpk= 212, nxpk= 15, iat=1569,1557, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 LEU MDX 100 ASP HN 5.50 (# 214:15 Unique 2.03, 4.50 A)
&rst
ixpk= 214, nxpk= 15, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1547,1548,1549,1551,1552,1553,
&end
#
# 71 ASP HA 71 ASP HN 3.50 (# 215:15 Unique 2.19, 2.30 A)
&rst
ixpk= 215, nxpk= 15, iat=1085,1083, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 70 PRO HA 71 ASP HN 3.50 (# 216:15 Unique 2.09, 2.31 A)
&rst
ixpk= 216, nxpk= 15, iat=1079,1083, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 94 PHE HN 85 LEU HN 5.50 (# 217:15 Unique 3.14, 3.86 A)
&rst
ixpk= 217, nxpk= 15, iat=1466,1324, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:218 71 ASP HN 4.50 (# 218:15 Single Ambig)
&rst
ixpk= 218, nxpk= 15, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1095, 101,
&end
#
# 85 LEU MDX 85 LEU HN 5.50 (# 219:15 Unique 3.91, 4.97 A)
&rst
ixpk= 219, nxpk= 15, iat= -1,1324, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1333,1334,1335,1337,1338,1339,
&end
#
# 0 AMB 15-2:220 85 LEU HN 2.80 (# 220:15 Single Ambig)
&rst
ixpk= 220, nxpk= 15, iat= -1,1324, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1454,1326,
&end
#
# 0 AMB 15-2:221 85 LEU HN 2.80 (# 221:15 Single Ambig)
&rst
ixpk= 221, nxpk= 15, iat= -1,1324, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1328,1329,1328,1329,
&end
#
# 84 GLY HA- 85 LEU HN 2.80 (# 222:15 Unique 2.16, 2.75 A)
&rst
ixpk= 222, nxpk= 15, iat= -1,1324, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1319,1320,
&end
#
# 85 LEU MDY 85 LEU HN 5.50 (# 224:15 Unique 3.91, 4.97 A)
&rst
ixpk= 224, nxpk= 15, iat= -1,1324, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1333,1334,1335,1337,1338,1339,
&end
#
# 0 AMB 15-2:225 85 LEU HN 4.50 (# 225:15 Single Ambig)
&rst
ixpk= 225, nxpk= 15, iat= -1,1324, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1427,1428,1429,1458,1459,1460,
&end
#
# 94 PHE HD 85 LEU HN 5.50 (# 226:15 Unique 3.25, 5.75 A)
&rst
ixpk= 226, nxpk= 15, iat= -1,1324, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1474,1482,
&end
#
# 0 AMB 15-2:227 85 LEU HN 4.50 (# 227:15 Single Ambig)
&rst
ixpk= 227, nxpk= 15, iat= -1,1324, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1317,1452,
&end
#
# 91 THR MG2 92 MET HN 3.50 (# 228:15 Unique 2.75, 3.69 A)
&rst
ixpk= 228, nxpk= 15, iat= -1,1435, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1427,1428,1429,
&end
#
# 86 GLN HA 92 MET HN 4.50 (# 229:15 Unique 3.65, 3.83 A)
&rst
ixpk= 229, nxpk= 15, iat=1345,1435, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 92 MET HB+ 92 MET HN 5.50 (# 230:15 Unique 2.68, 3.46 A)
&rst
ixpk= 230, nxpk= 15, iat= -1,1435, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1439,1440,
&end
#
# 0 AMB 15-2:231 0 AMB 15-1:231 5.50 (# 231:15 Double Ambig)
&rst
ixpk= 231, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1252,1425,1664,1665,
igr2=1500,1435,
&end
#
# 0 AMB 15-2:232 92 MET HN 4.50 (# 232:15 Single Ambig)
&rst
ixpk= 232, nxpk= 15, iat= -1,1435, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1452,1317,
&end
#
# 51 GLN HG- 49 GLU HN 5.50 (# 233:15 Unique 3.22, 5.99 A)
&rst
ixpk= 233, nxpk= 15, iat= -1, 754, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 783, 784,
&end
#
# 0 AMB 15-2:234 0 AMB 15-1:234 4.50 (# 234:15 Double Ambig)
&rst
ixpk= 234, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 758, 759,1439,1440,
igr2= 754,1435,
&end
#
# 0 AMB 15-2:235 129 ASP HN 5.50 (# 235:15 Single Ambig)
&rst
ixpk= 235, nxpk= 15, iat= -1,1982, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 0 AMB 15-2:236 0 AMB 15-1:236 3.50 (# 236:15 Double Ambig)
&rst
ixpk= 236, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1437,1454,1326, 795,
igr2=1435, 754,
&end
#
# 129 ASP HB- 129 ASP HN 3.50 (# 237:15 Unique 2.41, 2.55 A)
&rst
ixpk= 237, nxpk= 15, iat= -1,1982, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1986,1987,
&end
#
# 0 AMB 15-2:238 129 ASP HN 2.80 (# 238:15 Single Ambig)
&rst
ixpk= 238, nxpk= 15, iat= -1,1982, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1974,1975,1986,1987,
&end
#
# 129 ASP HA 129 ASP HN 3.50 (# 239:15 Unique 2.78, 2.82 A)
&rst
ixpk= 239, nxpk= 15, iat=1984,1982, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 128 ASP HN 129 ASP HN 4.50 (# 240:15 Unique 2.69, 2.82 A)
&rst
ixpk= 240, nxpk= 15, iat=1970,1982, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 126 LEU HA 129 ASP HN 4.50 (# 241:15 Unique 2.83, 3.02 A)
&rst
ixpk= 241, nxpk= 15, iat=1939,1982, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:242 129 ASP HN 5.50 (# 242:15 Single Ambig)
&rst
ixpk= 242, nxpk= 15, iat= -1,1982, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1956,2005,
&end
#
# 130 CYS HN 129 ASP HN 3.50 (# 243:15 Unique 2.64, 2.74 A)
&rst
ixpk= 243, nxpk= 15, iat=1994,1982, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:244 0 AMB 15-1:244 4.50 (# 244:15 Double Ambig)
&rst
ixpk= 244, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1261,1360,
igr2=1500,1435,
&end
#
# 0 AMB 15-2:245 0 AMB 15-1:245 3.50 (# 245:15 Double Ambig)
&rst
ixpk= 245, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1=1427,1428,1429, 719, 720,
igr2=1435, 754,
&end
#
# 96 VAL MGY 96 VAL HN 2.80 (# 247:15 Unique 2.20, 3.86 A)
&rst
ixpk= 247, nxpk= 15, iat= -1,1500, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 0 AMB 15-2:248 96 VAL HN 3.50 (# 248:15 Single Ambig)
&rst
ixpk= 248, nxpk= 15, iat= -1,1500, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1504,1265,1266,
&end
#
# 95 THR HA 96 VAL HN 2.80 (# 249:15 Unique 2.24, 2.27 A)
&rst
ixpk= 249, nxpk= 15, iat=1488,1500, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:250 96 VAL HN 4.50 (# 250:15 Single Ambig)
&rst
ixpk= 250, nxpk= 15, iat= -1,1500, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1502,1263,
&end
#
# 96 VAL MGX 96 VAL HN 4.50 (# 251:15 Unique 2.20, 3.86 A)
&rst
ixpk= 251, nxpk= 15, iat= -1,1500, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 0 AMB 15-2:252 0 AMB 15-1:252 5.50 (# 252:15 Double Ambig)
&rst
ixpk= 252, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1650,1651,1652,1654,1655,1656,1333,1334,1335,1337,
1338,1339,
igr2=1500,1435,
&end
#
# 0 AMB 15-2:253 0 AMB 15-1:253 4.50 (# 253:15 Double Ambig)
&rst
ixpk= 253, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1252,1490, 771, 772,
igr2=1500, 754,
&end
#
# 0 AMB 15-2:254 114 LEU HN 4.50 (# 254:15 Single Ambig)
&rst
ixpk= 254, nxpk= 15, iat= -1,1754, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1756,1731,
&end
#
# 82 LYS HA 96 VAL HN 5.50 (# 255:15 Unique 2.81, 3.22 A)
&rst
ixpk= 255, nxpk= 15, iat=1278,1500, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 106 LEU MDY 97 GLY HN 4.50 (# 256:15 Unique 3.57, 6.17 A)
&rst
ixpk= 256, nxpk= 15, iat= -1,1516, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1650,1651,1652,1654,1655,1656,
&end
#
# 0 AMB 15-2:257 49 GLU HN 3.50 (# 257:15 Single Ambig)
&rst
ixpk= 257, nxpk= 15, iat= -1, 754, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 761, 762, 758, 759,
&end
#
# 50 GLY HN 49 GLU HN 4.50 (# 258:15 Unique 2.07, 2.80 A)
&rst
ixpk= 258, nxpk= 15, iat= 769, 754, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 79 VAL MGX 97 GLY HN 5.50 (# 259:15 Unique 3.96, 5.96 A)
&rst
ixpk= 259, nxpk= 15, iat= -1,1516, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1240,1241,1242,1244,1245,1246,
&end
#
# 105 TYR HN 97 GLY HN 4.50 (# 260:15 Unique 2.84, 2.90 A)
&rst
ixpk= 260, nxpk= 15, iat=1620,1516, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 GLU HA 49 GLU HN 2.80 (# 261:15 Unique 2.24, 2.53 A)
&rst
ixpk= 261, nxpk= 15, iat= 756, 754, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 48 PHE HB- 49 GLU HN 5.50 (# 263:15 Unique 1.73, 4.03 A)
&rst
ixpk= 263, nxpk= 15, iat= -1, 754, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 738, 739,
&end
#
# 0 AMB 15-2:264 0 AMB 15-1:264 4.50 (# 264:15 Double Ambig)
&rst
ixpk= 264, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 758, 759,1439,1440,
igr2= 754,1435,
&end
#
# 48 PHE HB+ 49 GLU HN 5.50 (# 265:15 Unique 1.73, 4.03 A)
&rst
ixpk= 265, nxpk= 15, iat= -1, 754, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 738, 739,
&end
#
# 96 VAL MGX 97 GLY HN 3.50 (# 266:15 Unique 2.94, 4.46 A)
&rst
ixpk= 266, nxpk= 15, iat= -1,1516, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 0 AMB 15-2:267 97 GLY HN 4.50 (# 267:15 Single Ambig)
&rst
ixpk= 267, nxpk= 15, iat= -1,1516, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1504,1607,1608,1607,1608,
&end
#
# 96 VAL HA 97 GLY HN 2.80 (# 268:15 Unique 2.19, 2.22 A)
&rst
ixpk= 268, nxpk= 15, iat=1502,1516, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 97 GLY HA- 97 GLY HN 3.50 (# 269:15 Unique 2.42, 2.74 A)
&rst
ixpk= 269, nxpk= 15, iat= -1,1516, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1518,1519,
&end
#
# 0 AMB 15-2:270 49 GLU HN 4.50 (# 270:15 Single Ambig)
&rst
ixpk= 270, nxpk= 15, iat= -1, 754, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 742, 750, 788, 789,
&end
#
# 106 LEU HA 97 GLY HN 4.50 (# 271:15 Unique 3.00, 3.20 A)
&rst
ixpk= 271, nxpk= 15, iat=1643,1516, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 114 LEU HB+ 114 LEU HN 3.50 (# 273:15 Unique 2.14, 3.08 A)
&rst
ixpk= 273, nxpk= 15, iat= -1,1754, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1758,1759,
&end
#
# 113 PRO HB- 114 LEU HN 4.50 (# 274:15 Unique 2.52, 3.71 A)
&rst
ixpk= 274, nxpk= 15, iat= -1,1754, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1747,1748,
&end
#
# 113 PRO HB+ 114 LEU HN 4.50 (# 275:15 Unique 2.52, 3.71 A)
&rst
ixpk= 275, nxpk= 15, iat= -1,1754, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1747,1748,
&end
#
# 114 LEU HB- 114 LEU HN 4.50 (# 276:15 Unique 2.14, 3.08 A)
&rst
ixpk= 276, nxpk= 15, iat= -1,1754, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1758,1759,
&end
#
# 0 AMB 15-2:277 114 LEU HN 4.50 (# 277:15 Single Ambig)
&rst
ixpk= 277, nxpk= 15, iat= -1,1754, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1756,1731,
&end
#
# 49 GLU HG- 49 GLU HN 4.50 (# 278:15 Unique 2.04, 3.72 A)
&rst
ixpk= 278, nxpk= 15, iat= -1, 754, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 761, 762,
&end
#
# 56 VAL MGX 56 VAL HN 3.50 (# 279:15 Unique 2.16, 3.88 A)
&rst
ixpk= 279, nxpk= 15, iat= -1, 849, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 855, 856, 857, 859, 860, 861,
&end
#
# 56 VAL HB 56 VAL HN 4.50 (# 280:15 Unique 3.14, 3.29 A)
&rst
ixpk= 280, nxpk= 15, iat= 853, 849, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 55 CYS HB+ 56 VAL HN 3.50 (# 281:15 Unique 2.67, 3.51 A)
&rst
ixpk= 281, nxpk= 15, iat= -1, 849, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 842, 843,
&end
#
# 63 SER HN 56 VAL HN 4.50 (# 282:15 Unique 2.75, 2.87 A)
&rst
ixpk= 282, nxpk= 15, iat= 972, 849, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:283 56 VAL HN 5.50 (# 283:15 Single Ambig)
&rst
ixpk= 283, nxpk= 15, iat= -1, 849, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 993,1693,
&end
#
# 0 AMB 15-2:284 56 VAL HN 3.50 (# 284:15 Single Ambig)
&rst
ixpk= 284, nxpk= 15, iat= -1, 849, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 999,1000,1001,1003,1004,1005, 962, 963, 964, 966,
967, 968, 962, 963, 964, 966, 967, 968,
&end
#
# 57 ILE HN 56 VAL HN 5.50 (# 285:15 Unique 4.28, 4.38 A)
&rst
ixpk= 285, nxpk= 15, iat= 865, 849, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 55 CYS HB- 56 VAL HN 4.50 (# 287:15 Unique 2.67, 3.51 A)
&rst
ixpk= 287, nxpk= 15, iat= -1, 849, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 842, 843,
&end
#
# 55 CYS HA 56 VAL HN 2.80 (# 288:15 Unique 2.25, 2.31 A)
&rst
ixpk= 288, nxpk= 15, iat= 840, 849, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 56 VAL MGY 56 VAL HN 4.50 (# 289:15 Unique 2.16, 3.88 A)
&rst
ixpk= 289, nxpk= 15, iat= -1, 849, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 855, 856, 857, 859, 860, 861,
&end
#
# 127 THR MG2 56 VAL HN 4.50 (# 290:15 Unique 3.37, 4.24 A)
&rst
ixpk= 290, nxpk= 15, iat= -1, 849, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1962,1963,1964,
&end
#
# 56 VAL HA 56 VAL HN 4.50 (# 291:15 Unique 2.94, 2.96 A)
&rst
ixpk= 291, nxpk= 15, iat= 851, 849, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 64 ALA HA 56 VAL HN 4.50 (# 293:15 Unique 3.58, 3.76 A)
&rst
ixpk= 293, nxpk= 15, iat= 985, 849, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:295 56 VAL HN 5.50 (# 295:15 Single Ambig)
&rst
ixpk= 295, nxpk= 15, iat= -1, 849, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 955, 974,
&end
#
# 0 AMB 15-2:297 64 ALA HN 5.50 (# 297:15 Single Ambig)
&rst
ixpk= 297, nxpk= 15, iat= -1, 983, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968, 999,1000,1001,1003,1004,1005,
&end
#
# 64 ALA HA 64 ALA HN 5.50 (# 298:15 Unique 2.92, 2.95 A)
&rst
ixpk= 298, nxpk= 15, iat= 985, 983, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:299 64 ALA HN 4.50 (# 299:15 Single Ambig)
&rst
ixpk= 299, nxpk= 15, iat= -1, 983, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1693, 993,
&end
#
# 62 LEU HB+ 64 ALA HN 5.50 (# 300:15 Unique 5.93, 6.81 A)
&rst
ixpk= 300, nxpk= 15, iat= -1, 983, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 957, 958,
&end
#
# 63 SER HA 64 ALA HN 2.80 (# 301:15 Unique 2.08, 2.16 A)
&rst
ixpk= 301, nxpk= 15, iat= 974, 983, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:302 64 ALA HN 4.50 (# 302:15 Single Ambig)
&rst
ixpk= 302, nxpk= 15, iat= -1, 983, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1702,1703,1704,1706,1707,1708,1702,1703,1704,1706,
1707,1708,
&end
#
# 63 SER HB- 64 ALA HN 5.50 (# 303:15 Unique 2.68, 3.56 A)
&rst
ixpk= 303, nxpk= 15, iat= -1, 983, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 976, 977,
&end
#
# 63 SER HB+ 64 ALA HN 4.50 (# 304:15 Unique 2.68, 3.56 A)
&rst
ixpk= 304, nxpk= 15, iat= -1, 983, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 976, 977,
&end
#
# 108 CYS HN 64 ALA HN 4.50 (# 305:15 Unique 2.95, 3.17 A)
&rst
ixpk= 305, nxpk= 15, iat=1671, 983, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 108 CYS HA 109 SER HN 3.50 (# 306:15 Unique 2.20, 2.25 A)
&rst
ixpk= 306, nxpk= 15, iat=1673,1682, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:307 64 ALA HN 4.50 (# 307:15 Single Ambig)
&rst
ixpk= 307, nxpk= 15, iat= -1, 983, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1684,1695,
&end
#
# 0 AMB 15-2:308 109 SER HN 4.50 (# 308:15 Single Ambig)
&rst
ixpk= 308, nxpk= 15, iat= -1,1682, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1686,1687,1686,1687,
&end
#
# 0 AMB 15-2:309 64 ALA HN 3.50 (# 309:15 Single Ambig)
&rst
ixpk= 309, nxpk= 15, iat= -1, 983, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1700, 987, 988, 989,
&end
#
# 122 GLU HB+ 119 SER HN 3.50 (# 310:15 Unique 1.85, 3.04 A)
&rst
ixpk= 310, nxpk= 15, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1878,1879,
&end
#
# 122 GLU HN 119 SER HN 5.50 (# 311:15 Unique 2.87, 3.46 A)
&rst
ixpk= 311, nxpk= 15, iat=1874,1829, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 118 MET HG- 119 SER HN 4.50 (# 312:15 Unique 2.70, 3.85 A)
&rst
ixpk= 312, nxpk= 15, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1819,1820,
&end
#
# 119 SER HB- 119 SER HN 4.50 (# 313:15 Unique 2.45, 3.37 A)
&rst
ixpk= 313, nxpk= 15, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1833,1834,
&end
#
# 118 MET HA 119 SER HN 2.80 (# 314:15 Unique 2.18, 2.29 A)
&rst
ixpk= 314, nxpk= 15, iat=1814,1829, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:315 119 SER HN 3.50 (# 315:15 Single Ambig)
&rst
ixpk= 315, nxpk= 15, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1831, 576,
&end
#
# 0 AMB 15-2:316 119 SER HN 5.50 (# 316:15 Single Ambig)
&rst
ixpk= 316, nxpk= 15, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1859,1840,
&end
#
# 118 MET HG+ 119 SER HN 5.50 (# 317:15 Unique 2.70, 3.85 A)
&rst
ixpk= 317, nxpk= 15, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1819,1820,
&end
#
# 122 GLU HB- 119 SER HN 3.50 (# 318:15 Unique 1.85, 3.04 A)
&rst
ixpk= 318, nxpk= 15, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1878,1879,
&end
#
# 118 MET HN 119 SER HN 5.50 (# 319:15 Unique 4.40, 4.61 A)
&rst
ixpk= 319, nxpk= 15, iat=1812,1829, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 119 SER HB+ 119 SER HN 4.50 (# 320:15 Unique 2.45, 3.37 A)
&rst
ixpk= 320, nxpk= 15, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1833,1834,
&end
#
# 46 THR HN 53 THR HN 4.50 (# 321:15 Unique 4.37, 4.60 A)
&rst
ixpk= 321, nxpk= 15, iat= 701, 817, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:322 53 THR HN 4.50 (# 322:15 Single Ambig)
&rst
ixpk= 322, nxpk= 15, iat= -1, 817, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 797, 798, 685, 686,
&end
#
# 53 THR HB 53 THR HN 5.50 (# 323:15 Unique 3.04, 3.52 A)
&rst
ixpk= 323, nxpk= 15, iat= 821, 817, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 53 THR HA 53 THR HN 4.50 (# 324:15 Unique 2.97, 2.98 A)
&rst
ixpk= 324, nxpk= 15, iat= 819, 817, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 THR MG2 53 THR HN 4.50 (# 325:15 Unique 3.15, 4.21 A)
&rst
ixpk= 325, nxpk= 15, iat= -1, 817, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 823, 824, 825,
&end
#
# 52 TRP HA 53 THR HN 2.80 (# 326:15 Unique 2.24, 2.34 A)
&rst
ixpk= 326, nxpk= 15, iat= 795, 817, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 79 VAL HA 80 SER HN 2.80 (# 327:15 Unique 2.16, 2.30 A)
&rst
ixpk= 327, nxpk= 15, iat=1236,1250, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:329 53 THR HN 5.50 (# 329:15 Single Ambig)
&rst
ixpk= 329, nxpk= 15, iat= -1, 817, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1036,1044, 742, 750,
&end
#
# 96 VAL MGX 80 SER HN 4.50 (# 330:15 Unique 3.72, 5.11 A)
&rst
ixpk= 330, nxpk= 15, iat= -1,1250, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 79 VAL MGX 80 SER HN 2.80 (# 331:15 Unique 2.22, 3.94 A)
&rst
ixpk= 331, nxpk= 15, iat= -1,1250, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1240,1241,1242,1244,1245,1246,
&end
#
# 0 AMB 15-2:332 80 SER HN 4.50 (# 332:15 Single Ambig)
&rst
ixpk= 332, nxpk= 15, iat= -1,1250, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1238,1265,1266,1527,1528,
&end
#
# 0 AMB 15-2:333 80 SER HN 3.50 (# 333:15 Single Ambig)
&rst
ixpk= 333, nxpk= 15, iat= -1,1250, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1504,1265,1266,
&end
#
# 80 SER HA 80 SER HN 2.80 (# 334:15 Unique 2.10, 2.17 A)
&rst
ixpk= 334, nxpk= 15, iat=1252,1250, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 80 SER HB+ 80 SER HN 4.50 (# 335:15 Unique 3.56, 3.84 A)
&rst
ixpk= 335, nxpk= 15, iat= -1,1250, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1254,1255,
&end
#
# 81 GLU HN 80 SER HN 3.50 (# 336:15 Unique 2.63, 2.77 A)
&rst
ixpk= 336, nxpk= 15, iat=1261,1250, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:337 80 SER HN 5.50 (# 337:15 Single Ambig)
&rst
ixpk= 337, nxpk= 15, iat= -1,1250, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1234,1276,
&end
#
# 55 CYS HA 55 CYS HN 4.50 (# 338:15 Unique 2.90, 2.93 A)
&rst
ixpk= 338, nxpk= 15, iat= 840, 838, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 54 GLY HA+ 55 CYS HN 3.50 (# 339:15 Unique 2.43, 2.59 A)
&rst
ixpk= 339, nxpk= 15, iat= -1, 838, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 833, 834,
&end
#
# 55 CYS HB- 55 CYS HN 5.50 (# 340:15 Unique 2.74, 3.34 A)
&rst
ixpk= 340, nxpk= 15, iat= -1, 838, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 842, 843,
&end
#
# 0 AMB 15-2:341 55 CYS HN 4.50 (# 341:15 Single Ambig)
&rst
ixpk= 341, nxpk= 15, iat= -1, 838, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 671,1960,
&end
#
# 43 SER HN 55 CYS HN 5.50 (# 342:15 Unique 2.66, 3.00 A)
&rst
ixpk= 342, nxpk= 15, iat= 658, 838, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:343 55 CYS HN 5.50 (# 343:15 Single Ambig)
&rst
ixpk= 343, nxpk= 15, iat= -1, 838, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 662, 663, 662, 663,
&end
#
# 131 ALA MB 55 CYS HN 4.50 (# 344:15 Unique 3.41, 4.97 A)
&rst
ixpk= 344, nxpk= 15, iat= -1, 838, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=2009,2010,2011,
&end
#
# 54 GLY HA- 55 CYS HN 3.50 (# 345:15 Unique 2.43, 2.59 A)
&rst
ixpk= 345, nxpk= 15, iat= -1, 838, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 833, 834,
&end
#
# 0 AMB 15-2:346 55 CYS HN 5.50 (# 346:15 Single Ambig)
&rst
ixpk= 346, nxpk= 15, iat= -1, 838, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 831, 681,
&end
#
# 55 CYS HB+ 55 CYS HN 5.50 (# 347:15 Unique 2.74, 3.34 A)
&rst
ixpk= 347, nxpk= 15, iat= -1, 838, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 842, 843,
&end
#
# 0 AMB 15-2:348 55 CYS HN 5.50 (# 348:15 Single Ambig)
&rst
ixpk= 348, nxpk= 15, iat= -1, 838, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 999,1000,1001,1003,1004,1005, 648, 649, 650, 652,
653, 654,
&end
#
# 104 GLN HG+ 105 TYR HN 5.50 (# 349:15 Unique 3.72, 4.56 A)
&rst
ixpk= 349, nxpk= 15, iat= -1,1620, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1610,1611,
&end
#
# 96 VAL HA 105 TYR HN 5.50 (# 350:15 Unique 4.04, 4.23 A)
&rst
ixpk= 350, nxpk= 15, iat=1502,1620, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 105 TYR HE 105 TYR HN 5.50 (# 351:15 Unique 4.22, 5.51 A)
&rst
ixpk= 351, nxpk= 15, iat= -1,1620, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1630,1635,
&end
#
# 96 VAL MGX 105 TYR HN 5.50 (# 352:15 Unique 3.37, 5.38 A)
&rst
ixpk= 352, nxpk= 15, iat= -1,1620, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 105 TYR HD 105 TYR HN 3.50 (# 353:15 Unique 2.01, 3.79 A)
&rst
ixpk= 353, nxpk= 15, iat= -1,1620, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1628,1637,
&end
#
# 99 LEU HN 105 TYR HN 5.50 (# 354:15 Unique 4.04, 4.44 A)
&rst
ixpk= 354, nxpk= 15, iat=1538,1620, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:355 105 TYR HN 5.50 (# 355:15 Single Ambig)
&rst
ixpk= 355, nxpk= 15, iat= -1,1620, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1624,1625,1527,1528,
&end
#
# 0 AMB 15-2:356 105 TYR HN 2.80 (# 356:15 Single Ambig)
&rst
ixpk= 356, nxpk= 15, iat= -1,1620, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1607,1608,1607,1608,
&end
#
# 0 AMB 15-2:357 105 TYR HN 4.50 (# 357:15 Single Ambig)
&rst
ixpk= 357, nxpk= 15, iat= -1,1620, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1624,1625,1610,1611,
&end
#
# 105 TYR HA 105 TYR HN 4.50 (# 358:15 Unique 2.89, 2.91 A)
&rst
ixpk= 358, nxpk= 15, iat=1622,1620, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 104 GLN HA 105 TYR HN 2.80 (# 359:15 Unique 2.16, 2.22 A)
&rst
ixpk= 359, nxpk= 15, iat=1605,1620, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 98 GLU HA 105 TYR HN 4.50 (# 360:15 Unique 3.44, 3.58 A)
&rst
ixpk= 360, nxpk= 15, iat=1525,1620, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:361 105 TYR HN 5.50 (# 361:15 Single Ambig)
&rst
ixpk= 361, nxpk= 15, iat= -1,1620, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1603,1615,1616,
&end
#
# 101 GLY HA+ 101 GLY HN 2.80 (# 362:15 Unique 2.28, 2.59 A)
&rst
ixpk= 362, nxpk= 15, iat= -1,1569, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1571,1572,
&end
#
# 102 VAL HN 101 GLY HN 3.50 (# 363:15 Unique 2.70, 2.77 A)
&rst
ixpk= 363, nxpk= 15, iat=1576,1569, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 100 ASP HA 101 GLY HN 2.80 (# 364:15 Unique 2.16, 2.20 A)
&rst
ixpk= 364, nxpk= 15, iat=1559,1569, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:365 101 GLY HN 3.50 (# 365:15 Single Ambig)
&rst
ixpk= 365, nxpk= 15, iat= -1,1569, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1561,1562,1561,1562,
&end
#
# 101 GLY HA- 101 GLY HN 2.80 (# 366:15 Unique 2.28, 2.59 A)
&rst
ixpk= 366, nxpk= 15, iat= -1,1569, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1571,1572,
&end
#
# 102 VAL MGX 101 GLY HN 5.50 (# 367:15 Unique 4.63, 6.60 A)
&rst
ixpk= 367, nxpk= 15, iat= -1,1569, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1582,1583,1584,1586,1587,1588,
&end
#
# 83 ILE HB 84 GLY HN 4.50 (# 370:15 Unique 4.15, 4.27 A)
&rst
ixpk= 370, nxpk= 15, iat=1302,1317, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 83 ILE HN 84 GLY HN 5.50 (# 371:15 Unique 4.17, 4.32 A)
&rst
ixpk= 371, nxpk= 15, iat=1298,1317, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:372 84 GLY HN 5.50 (# 372:15 Single Ambig)
&rst
ixpk= 372, nxpk= 15, iat= -1,1317, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1454,1326,
&end
#
# 84 GLY HA- 84 GLY HN 2.80 (# 373:15 Unique 2.31, 2.63 A)
&rst
ixpk= 373, nxpk= 15, iat= -1,1317, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1319,1320,
&end
#
# 83 ILE MG2 84 GLY HN 3.50 (# 374:15 Unique 3.03, 3.74 A)
&rst
ixpk= 374, nxpk= 15, iat= -1,1317, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1304,1305,1306,
&end
#
# 0 AMB 15-2:375 84 GLY HN 2.80 (# 375:15 Single Ambig)
&rst
ixpk= 375, nxpk= 15, iat= -1,1317, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1300,1319,1320,
&end
#
# 85 LEU HN 84 GLY HN 4.50 (# 377:15 Unique 4.26, 4.49 A)
&rst
ixpk= 377, nxpk= 15, iat=1324,1317, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 TYR HB+ 41 TYR HN 5.50 (# 378:15 Unique 2.64, 3.08 A)
&rst
ixpk= 378, nxpk= 15, iat= -1, 621, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 625, 626,
&end
#
# 105 TYR HD 98 GLU HN 5.50 (# 379:15 Unique 4.26, 6.64 A)
&rst
ixpk= 379, nxpk= 15, iat= -1,1523, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1628,1637,
&end
#
# 97 GLY HN 98 GLU HN 4.50 (# 380:15 Unique 4.42, 4.46 A)
&rst
ixpk= 380, nxpk= 15, iat=1516,1523, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 ILE HN 41 TYR HN 5.50 (# 381:15 Unique 2.69, 2.77 A)
&rst
ixpk= 381, nxpk= 15, iat= 865, 621, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 97 GLY HA- 98 GLU HN 2.80 (# 382:15 Unique 2.31, 2.70 A)
&rst
ixpk= 382, nxpk= 15, iat= -1,1523, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1518,1519,
&end
#
# 0 AMB 15-2:383 98 GLU HN 2.80 (# 383:15 Single Ambig)
&rst
ixpk= 383, nxpk= 15, iat= -1,1523, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1527,1528,1238,
&end
#
# 98 GLU HA 98 GLU HN 3.50 (# 384:15 Unique 2.94, 2.98 A)
&rst
ixpk= 384, nxpk= 15, iat=1525,1523, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 MET HB+ 93 THR HN 4.50 (# 385:15 Unique 2.52, 3.50 A)
&rst
ixpk= 385, nxpk= 15, iat= -1,1452, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1439,1440,
&end
#
# 57 ILE MG2 41 TYR HN 3.50 (# 386:15 Unique 2.05, 3.19 A)
&rst
ixpk= 386, nxpk= 15, iat= -1, 621, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 871, 872, 873,
&end
#
# 41 TYR HB- 41 TYR HN 5.50 (# 387:15 Unique 2.64, 3.08 A)
&rst
ixpk= 387, nxpk= 15, iat= -1, 621, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 625, 626,
&end
#
# 41 TYR HA 41 TYR HN 4.50 (# 388:15 Unique 2.94, 2.96 A)
&rst
ixpk= 388, nxpk= 15, iat= 623, 621, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 TYR HD 41 TYR HN 5.50 (# 389:15 Unique 4.36, 4.93 A)
&rst
ixpk= 389, nxpk= 15, iat= -1, 621, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 629, 638,
&end
#
# 79 VAL MGX 98 GLU HN 3.50 (# 390:15 Unique 2.25, 3.85 A)
&rst
ixpk= 390, nxpk= 15, iat= -1,1523, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1240,1241,1242,1244,1245,1246,
&end
#
# 97 GLY HA+ 98 GLU HN 2.80 (# 391:15 Unique 2.31, 2.70 A)
&rst
ixpk= 391, nxpk= 15, iat= -1,1523, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1518,1519,
&end
#
# 0 AMB 15-2:392 0 AMB 15-1:392 4.50 (# 392:15 Double Ambig)
&rst
ixpk= 392, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1439,1440,1624,1625,
igr2=1452,1009,
&end
#
# 0 AMB 15-2:393 41 TYR HN 5.50 (# 393:15 Single Ambig)
&rst
ixpk= 393, nxpk= 15, iat= -1, 621, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 595, 596, 595, 596, 246, 247, 246, 247,1903,1904,
&end
#
# 0 AMB 15-2:394 98 GLU HN 4.50 (# 394:15 Single Ambig)
&rst
ixpk= 394, nxpk= 15, iat= -1,1523, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1530,1531,1530,1531,
&end
#
# 105 TYR HE 98 GLU HN 4.50 (# 395:15 Unique 3.20, 6.26 A)
&rst
ixpk= 395, nxpk= 15, iat= -1,1523, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1630,1635,
&end
#
# 0 AMB 15-2:396 0 AMB 15-1:396 3.50 (# 396:15 Double Ambig)
&rst
ixpk= 396, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1456,1664,1665,
igr2=1452,1009,
&end
#
# 0 AMB 15-2:397 93 THR HN 2.80 (# 397:15 Single Ambig)
&rst
ixpk= 397, nxpk= 15, iat= -1,1452, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1437,1454,
&end
#
# 99 LEU HN 98 GLU HN 5.50 (# 398:15 Unique 3.97, 4.20 A)
&rst
ixpk= 398, nxpk= 15, iat=1538,1523, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 94 PHE HE 0 AMB 15-1:399 5.50 (# 399:15 Single Ambig)
&rst
ixpk= 399, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1476,1480,
igr2=1009,1452,
&end
#
# 40 VAL HA 41 TYR HN 2.80 (# 400:15 Unique 2.17, 2.27 A)
&rst
ixpk= 400, nxpk= 15, iat= 607, 621, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:401 0 AMB 15-1:401 2.80 (# 401:15 Double Ambig)
&rst
ixpk= 401, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 999,1000,1001,1003,1004,1005,1458,1459,1460,
igr2=1009,1452,
&end
#
# 0 AMB 15-2:402 0 AMB 15-1:402 3.50 (# 402:15 Double Ambig)
&rst
ixpk= 402, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 997,1442,1443,
igr2=1009,1452,
&end
#
# 105 TYR HD 66 ILE HN 4.50 (# 403:15 Unique 3.17, 5.50 A)
&rst
ixpk= 403, nxpk= 15, iat= -1,1009, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1628,1637,
&end
#
# 94 PHE HD 0 AMB 15-1:404 5.50 (# 404:15 Single Ambig)
&rst
ixpk= 404, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1474,1482,
igr2=1009,1452,
&end
#
# 0 AMB 15-2:405 66 ILE HN 4.50 (# 405:15 Single Ambig)
&rst
ixpk= 405, nxpk= 15, iat= -1,1009, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1013,1645,1646,
&end
#
# 65 VAL HA 66 ILE HN 2.80 (# 406:15 Unique 2.23, 2.28 A)
&rst
ixpk= 406, nxpk= 15, iat= 995,1009, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:407 66 ILE HN 5.50 (# 407:15 Single Ambig)
&rst
ixpk= 407, nxpk= 15, iat= -1,1009, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1028, 993,
&end
#
# 0 AMB 15-2:408 66 ILE HN 5.50 (# 408:15 Single Ambig)
&rst
ixpk= 408, nxpk= 15, iat= -1,1009, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1022,1023,1024,1650,1651,1652,1654,1655,1656,
&end
#
# 66 ILE HA 66 ILE HN 5.50 (# 409:15 Unique 2.93, 2.95 A)
&rst
ixpk= 409, nxpk= 15, iat=1011,1009, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:411 0 AMB 15-1:411 4.50 (# 411:15 Double Ambig)
&rst
ixpk= 411, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1456,1664,1665,
igr2=1452,1009,
&end
#
# 106 LEU HB- 0 AMB 15-1:412 5.50 (# 412:15 Single Ambig)
&rst
ixpk= 412, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1645,1646,
igr2=1641,1009,
&end
#
# 0 AMB 15-2:413 24 ALA HN 4.50 (# 413:15 Single Ambig)
&rst
ixpk= 413, nxpk= 15, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 611, 612, 613, 615, 616, 617, 342, 343, 344,
&end
#
# 0 AMB 15-2:414 0 AMB 15-1:414 3.50 (# 414:15 Double Ambig)
&rst
ixpk= 414, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
igr1= 333,1866,1867, 318, 319, 318, 319,
igr2= 348,1840,
&end
#
# 0 AMB 15-2:415 0 AMB 15-1:415 5.50 (# 415:15 Double Ambig)
&rst
ixpk= 415, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 331,1891,1892,
igr2= 348,1840,
&end
#
# 24 ALA MB 24 ALA HN 2.80 (# 416:15 Unique 2.43, 2.87 A)
&rst
ixpk= 416, nxpk= 15, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 352, 353, 354,
&end
#
# 20 PHE HD 24 ALA HN 4.50 (# 417:15 Unique 3.65, 5.53 A)
&rst
ixpk= 417, nxpk= 15, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 287, 295,
&end
#
# 0 AMB 15-2:418 0 AMB 15-1:418 2.80 (# 418:15 Double Ambig)
&rst
ixpk= 418, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 329, 382,1874,
igr2= 348,1840,
&end
#
# 0 AMB 15-2:419 24 ALA HN 5.50 (# 419:15 Single Ambig)
&rst
ixpk= 419, nxpk= 15, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 316, 360, 271,
&end
#
# 0 AMB 15-2:420 0 AMB 15-1:420 4.50 (# 420:15 Double Ambig)
&rst
ixpk= 420, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1345, 281,
igr2=1343, 348,
&end
#
# 0 AMB 15-2:421 0 AMB 15-1:421 2.80 (# 421:15 Double Ambig)
&rst
ixpk= 421, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1833,1834, 350,
igr2=1840, 348,
&end
#
# 0 AMB 15-2:422 120 ILE HN 3.50 (# 422:15 Single Ambig)
&rst
ixpk= 422, nxpk= 15, iat= -1,1840, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1850,1851,1850,1851,
&end
#
# 0 AMB 15-2:423 0 AMB 15-1:423 2.80 (# 423:15 Double Ambig)
&rst
ixpk= 423, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1192,1193,1347,1348,1265,1266,
igr2=1212,1343,
&end
#
# 106 LEU MDX 106 LEU HN 4.50 (# 424:15 Unique 3.18, 4.69 A)
&rst
ixpk= 424, nxpk= 15, iat= -1,1641, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1650,1651,1652,1654,1655,1656,
&end
#
# 105 TYR HB+ 106 LEU HN 3.50 (# 425:15 Unique 2.25, 3.17 A)
&rst
ixpk= 425, nxpk= 15, iat= -1,1641, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1624,1625,
&end
#
# 105 TYR HA 106 LEU HN 3.50 (# 426:15 Unique 2.40, 2.59 A)
&rst
ixpk= 426, nxpk= 15, iat=1622,1641, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:427 106 LEU HN 3.50 (# 427:15 Single Ambig)
&rst
ixpk= 427, nxpk= 15, iat= -1,1641, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1645,1646,1013,1648,
&end
#
# 0 AMB 15-2:428 0 AMB 15-1:428 3.50 (# 428:15 Double Ambig)
&rst
ixpk= 428, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1628,1637,1908,1909,
igr2=1641,1859,
&end
#
# 106 LEU HB- 106 LEU HN 5.50 (# 429:15 Unique 2.32, 2.98 A)
&rst
ixpk= 429, nxpk= 15, iat= -1,1641, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1645,1646,
&end
#
# 0 AMB 15-2:430 0 AMB 15-1:430 3.50 (# 430:15 Double Ambig)
&rst
ixpk= 430, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1833,1834, 301,
igr2=1840, 348,
&end
#
# 120 ILE HA 120 ILE HN 4.50 (# 431:15 Unique 2.69, 2.83 A)
&rst
ixpk= 431, nxpk= 15, iat=1842,1840, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 120 ILE MD1 120 ILE HN 4.50 (# 432:15 Unique 1.63, 3.10 A)
&rst
ixpk= 432, nxpk= 15, iat= -1,1840, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1853,1854,1855,
&end
#
# 0 AMB 15-2:433 120 ILE HN 3.50 (# 433:15 Single Ambig)
&rst
ixpk= 433, nxpk= 15, iat= -1,1840, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1850,1851,1850,1851,
&end
#
# 0 AMB 15-2:434 0 AMB 15-1:434 3.50 (# 434:15 Double Ambig)
&rst
ixpk= 434, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1846,1847,1848,1506,1507,1508,1510,1511,1512,
igr2=1840,1212,
&end
#
# 0 AMB 15-2:435 0 AMB 15-1:435 2.80 (# 435:15 Double Ambig)
&rst
ixpk= 435, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1833,1834,1214,
igr2=1840,1212,
&end
#
# 0 AMB 15-2:436 0 AMB 15-1:436 3.50 (# 436:15 Double Ambig)
&rst
ixpk= 436, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.27, r4= 7.02,
igr1=1265,1266,1866,1867,1350,1351,1504,1878,1879,1881,
1882,
igr2=1212,1840,1343,
&end
#
# 86 GLN HA 86 GLN HN 3.50 (# 437:15 Unique 2.92, 2.97 A)
&rst
ixpk= 437, nxpk= 15, iat=1345,1343, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:438 0 AMB 15-1:438 4.50 (# 438:15 Double Ambig)
&rst
ixpk= 438, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1324,1435,1500,
igr2=1343,1212,
&end
#
# 0 AMB 15-2:439 0 AMB 15-1:439 4.50 (# 439:15 Double Ambig)
&rst
ixpk= 439, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1360,1874,
igr2=1343,1840,
&end
#
# 0 AMB 15-2:440 0 AMB 15-1:440 2.80 (# 440:15 Double Ambig)
&rst
ixpk= 440, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1328,1329,1328,1329,1219,1220,1219,1220,
igr2=1343,1212,
&end
#
# 0 AMB 15-2:441 78 LYS HN 2.80 (# 441:15 Single Ambig)
&rst
ixpk= 441, nxpk= 15, iat= -1,1212, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1216,1217,1216,1217,
&end
#
# 0 AMB 15-2:442 0 AMB 15-1:442 2.80 (# 442:15 Double Ambig)
&rst
ixpk= 442, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1192,1193,1347,1348,
igr2=1212,1343,
&end
#
# 85 LEU MDX 86 GLN HN 4.50 (# 443:15 Unique 2.09, 5.08 A)
&rst
ixpk= 443, nxpk= 15, iat= -1,1343, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1333,1334,1335,1337,1338,1339,
&end
#
# 0 AMB 15-2:444 0 AMB 15-1:444 5.50 (# 444:15 Double Ambig)
&rst
ixpk= 444, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1615,1616,1414,
igr2=1212,1343,
&end
#
# 0 AMB 15-2:445 0 AMB 15-1:445 5.50 (# 445:15 Double Ambig)
&rst
ixpk= 445, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1=1850,1851,1850,1851,1015,1016,1017,
igr2=1859,1641,
&end
#
# 0 AMB 15-2:446 0 AMB 15-1:446 2.80 (# 446:15 Double Ambig)
&rst
ixpk= 446, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1645,1646,1844,
igr2=1641,1859,
&end
#
# 0 AMB 15-2:447 0 AMB 15-1:447 3.50 (# 447:15 Double Ambig)
&rst
ixpk= 447, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1863,1864,1624,1625,
igr2=1859,1641,
&end
#
# 0 AMB 15-2:448 121 GLU HN 4.50 (# 448:15 Single Ambig)
&rst
ixpk= 448, nxpk= 15, iat= -1,1859, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1831, 576,
&end
#
# 0 AMB 15-2:449 0 AMB 15-1:449 4.50 (# 449:15 Double Ambig)
&rst
ixpk= 449, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1846,1847,1848,1506,1507,1508,1510,1511,1512,
igr2=1859,1641,
&end
#
# 121 GLU HB- 121 GLU HN 3.50 (# 450:15 Unique 2.12, 2.98 A)
&rst
ixpk= 450, nxpk= 15, iat= -1,1859, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1863,1864,
&end
#
# 121 GLU HG- 121 GLU HN 4.50 (# 451:15 Unique 2.04, 2.89 A)
&rst
ixpk= 451, nxpk= 15, iat= -1,1859, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1866,1867,
&end
#
# 0 AMB 15-2:452 121 GLU HN 3.50 (# 452:15 Single Ambig)
&rst
ixpk= 452, nxpk= 15, iat= -1,1859, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1861,1891,1892,
&end
#
# 0 AMB 15-2:453 0 AMB 15-1:453 5.50 (# 453:15 Double Ambig)
&rst
ixpk= 453, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1842,1049,1050,
igr2=1859,1641,
&end
#
# 122 GLU HN 121 GLU HN 4.50 (# 454:15 Unique 2.48, 2.61 A)
&rst
ixpk= 454, nxpk= 15, iat=1874,1859, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 120 ILE MD1 121 GLU HN 5.50 (# 455:15 Unique 2.59, 4.52 A)
&rst
ixpk= 455, nxpk= 15, iat= -1,1859, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1853,1854,1855,
&end
#
# 119 SER HB- 121 GLU HN 5.50 (# 456:15 Unique 2.45, 3.39 A)
&rst
ixpk= 456, nxpk= 15, iat= -1,1859, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1833,1834,
&end
#
# 119 SER HB+ 121 GLU HN 5.50 (# 457:15 Unique 2.45, 3.39 A)
&rst
ixpk= 457, nxpk= 15, iat= -1,1859, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1833,1834,
&end
#
# 76 LEU HN 77 ARG HN 5.50 (# 458:15 Unique 2.78, 4.47 A)
&rst
ixpk= 458, nxpk= 15, iat=1169,1188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:459 77 ARG HN 3.50 (# 459:15 Single Ambig)
&rst
ixpk= 459, nxpk= 15, iat= -1,1188, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
&end
#
# 0 AMB 15-2:460 77 ARG HN 3.50 (# 460:15 Single Ambig)
&rst
ixpk= 460, nxpk= 15, iat= -1,1188, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1176,1192,1193,
&end
#
# 76 LEU HA 77 ARG HN 3.50 (# 461:15 Unique 2.16, 2.34 A)
&rst
ixpk= 461, nxpk= 15, iat=1171,1188, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 76 LEU HB- 77 ARG HN 5.50 (# 462:15 Unique 2.27, 4.19 A)
&rst
ixpk= 462, nxpk= 15, iat= -1,1188, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1173,1174,
&end
#
# 0 AMB 15-2:463 77 ARG HN 5.50 (# 463:15 Single Ambig)
&rst
ixpk= 463, nxpk= 15, iat= -1,1188, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1192,1193, 69,
&end
#
# 77 ARG HA 77 ARG HN 4.50 (# 464:15 Unique 2.22, 2.95 A)
&rst
ixpk= 464, nxpk= 15, iat=1190,1188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:465 77 ARG HN 3.50 (# 465:15 Single Ambig)
&rst
ixpk= 465, nxpk= 15, iat= -1,1188, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1173,1174,1195,1196,1195,1196,
&end
#
# 0 AMB 15-2:466 21 GLU HN 5.50 (# 466:15 Single Ambig)
&rst
ixpk= 466, nxpk= 15, iat= -1, 299, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 273, 274, 275, 263, 264, 265,
&end
#
# 104 GLN HE2- 77 ARG HN 4.50 (# 467:15 Unique 2.91, 3.87 A)
&rst
ixpk= 467, nxpk= 15, iat= -1,1188, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1615,1616,
&end
#
# 21 GLU HB- 21 GLU HN 3.50 (# 468:15 Unique 2.12, 2.47 A)
&rst
ixpk= 468, nxpk= 15, iat= -1, 299, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 303, 304,
&end
#
# 21 GLU HG+ 21 GLU HN 4.50 (# 469:15 Unique 4.06, 4.36 A)
&rst
ixpk= 469, nxpk= 15, iat= -1, 299, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 306, 307,
&end
#
# 20 PHE HB- 21 GLU HN 4.50 (# 470:15 Unique 3.17, 3.46 A)
&rst
ixpk= 470, nxpk= 15, iat= -1, 299, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 283, 284,
&end
#
# 18 ALA HA 21 GLU HN 4.50 (# 471:15 Unique 3.22, 3.33 A)
&rst
ixpk= 471, nxpk= 15, iat= 261, 299, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:472 21 GLU HN 3.50 (# 472:15 Single Ambig)
&rst
ixpk= 472, nxpk= 15, iat= -1, 299, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 306, 307, 249, 250,
&end
#
# 21 GLU HB+ 21 GLU HN 3.50 (# 473:15 Unique 2.12, 2.47 A)
&rst
ixpk= 473, nxpk= 15, iat= -1, 299, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 303, 304,
&end
#
# 21 GLU HA 21 GLU HN 3.50 (# 474:15 Unique 2.80, 2.82 A)
&rst
ixpk= 474, nxpk= 15, iat= 301, 299, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 20 PHE HD 21 GLU HN 5.50 (# 475:15 Unique 5.29, 5.45 A)
&rst
ixpk= 475, nxpk= 15, iat= -1, 299, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 287, 295,
&end
#
# 22 GLU HN 21 GLU HN 3.50 (# 476:15 Unique 2.72, 2.78 A)
&rst
ixpk= 476, nxpk= 15, iat= 314, 299, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 40 VAL MGY 21 GLU HN 4.50 (# 477:15 Unique 2.58, 4.39 A)
&rst
ixpk= 477, nxpk= 15, iat= -1, 299, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 40 VAL MGX 21 GLU HN 5.50 (# 478:15 Unique 2.58, 4.39 A)
&rst
ixpk= 478, nxpk= 15, iat= -1, 299, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 20 PHE HN 21 GLU HN 3.50 (# 479:15 Unique 2.68, 2.74 A)
&rst
ixpk= 479, nxpk= 15, iat= 279, 299, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 20 PHE HA 21 GLU HN 5.50 (# 480:15 Unique 3.55, 3.58 A)
&rst
ixpk= 480, nxpk= 15, iat= 281, 299, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:481 0 AMB 15-1:481 4.50 (# 481:15 Double Ambig)
&rst
ixpk= 481, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1173,1174, 823, 824, 825,
igr2= 35, 681,
&end
#
# 0 AMB 15-2:482 0 AMB 15-1:482 2.80 (# 482:15 Double Ambig)
&rst
ixpk= 482, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 37, 671,
igr2= 35, 681,
&end
#
# 44 ASP HB- 45 PHE HN 4.50 (# 483:15 Unique 2.84, 3.93 A)
&rst
ixpk= 483, nxpk= 15, iat= -1, 681, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 673, 674,
&end
#
# 0 AMB 15-2:484 45 PHE HN 3.50 (# 484:15 Single Ambig)
&rst
ixpk= 484, nxpk= 15, iat= -1, 681, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 685, 686, 797, 798,
&end
#
# 44 ASP HB+ 45 PHE HN 3.50 (# 485:15 Unique 2.84, 3.93 A)
&rst
ixpk= 485, nxpk= 15, iat= -1, 681, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 673, 674,
&end
#
# 45 PHE HB+ 45 PHE HN 4.50 (# 486:15 Unique 2.70, 3.56 A)
&rst
ixpk= 486, nxpk= 15, iat= -1, 681, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 685, 686,
&end
#
# 45 PHE HA 45 PHE HN 4.50 (# 487:15 Unique 2.86, 2.91 A)
&rst
ixpk= 487, nxpk= 15, iat= 683, 681, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 THR HN 45 PHE HN 5.50 (# 488:15 Unique 4.02, 4.29 A)
&rst
ixpk= 488, nxpk= 15, iat= 701, 681, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 PHE HD 45 PHE HN 5.50 (# 489:15 Unique 2.67, 4.10 A)
&rst
ixpk= 489, nxpk= 15, iat= -1, 681, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 689, 697,
&end
#
# 134 ILE HN 133 MET HN 4.50 (# 490:15 Unique 2.87, 3.04 A)
&rst
ixpk= 490, nxpk= 15, iat=2056,2039, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 132 ARG HB+ 133 MET HN 3.50 (# 491:15 Unique 1.99, 3.96 A)
&rst
ixpk= 491, nxpk= 15, iat= -1,2039, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2019,2020,
&end
#
# 0 AMB 15-2:492 0 AMB 15-1:492 5.50 (# 492:15 Double Ambig)
&rst
ixpk= 492, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1833,1834, 173,
igr2=1859, 199,
&end
#
# 133 MET HB+ 133 MET HN 3.50 (# 493:15 Unique 2.25, 2.55 A)
&rst
ixpk= 493, nxpk= 15, iat= -1,2039, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2043,2044,
&end
#
# 0 AMB 15-2:494 133 MET HN 3.50 (# 494:15 Single Ambig)
&rst
ixpk= 494, nxpk= 15, iat= -1,2039, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1996,2017,
&end
#
# 132 ARG HN 133 MET HN 4.50 (# 495:15 Unique 2.58, 2.79 A)
&rst
ixpk= 495, nxpk= 15, iat=2015,2039, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 132 ARG HG+ 133 MET HN 2.80 (# 496:15 Unique 2.50, 3.38 A)
&rst
ixpk= 496, nxpk= 15, iat= -1,2039, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2022,2023,
&end
#
# 133 MET HA 133 MET HN 4.50 (# 497:15 Unique 2.68, 2.78 A)
&rst
ixpk= 497, nxpk= 15, iat=2041,2039, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 65 VAL MGX 54 GLY HN 3.50 (# 498:15 Unique 3.01, 5.19 A)
&rst
ixpk= 498, nxpk= 15, iat= -1, 831, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 999,1000,1001,1003,1004,1005,
&end
#
# 53 THR MG2 54 GLY HN 4.50 (# 499:15 Unique 2.47, 4.11 A)
&rst
ixpk= 499, nxpk= 15, iat= -1, 831, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 823, 824, 825,
&end
#
# 53 THR HB 54 GLY HN 3.50 (# 500:15 Unique 2.51, 2.82 A)
&rst
ixpk= 500, nxpk= 15, iat= 821, 831, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 54 GLY HA+ 54 GLY HN 4.50 (# 501:15 Unique 2.66, 2.81 A)
&rst
ixpk= 501, nxpk= 15, iat= -1, 831, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 833, 834,
&end
#
# 53 THR HA 54 GLY HN 2.80 (# 502:15 Unique 2.26, 2.36 A)
&rst
ixpk= 502, nxpk= 15, iat= 819, 831, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 65 VAL HN 54 GLY HN 4.50 (# 503:15 Unique 2.68, 2.93 A)
&rst
ixpk= 503, nxpk= 15, iat= 993, 831, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 54 GLY HA- 54 GLY HN 4.50 (# 504:15 Unique 2.66, 2.81 A)
&rst
ixpk= 504, nxpk= 15, iat= -1, 831, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 833, 834,
&end
#
# 0 AMB 15-2:505 54 GLY HN 4.50 (# 505:15 Single Ambig)
&rst
ixpk= 505, nxpk= 15, iat= -1, 831, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1011, 985,
&end
#
# 66 ILE HG1- 54 GLY HN 5.50 (# 506:15 Unique 3.53, 4.41 A)
&rst
ixpk= 506, nxpk= 15, iat= -1, 831, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1019,1020,
&end
#
# 134 ILE MD1 54 GLY HN 5.50 (# 507:15 Unique 3.29, 5.43 A)
&rst
ixpk= 507, nxpk= 15, iat= -1, 831, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2069,2070,2071,
&end
#
# 0 AMB 15-2:508 54 GLY HN 5.50 (# 508:15 Single Ambig)
&rst
ixpk= 508, nxpk= 15, iat= -1, 831, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 838, 817,
&end
#
# 13 LYS HG- 14 ALA HN 5.50 (# 509:15 Unique 2.47, 3.74 A)
&rst
ixpk= 509, nxpk= 15, iat= -1, 199, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 184, 185,
&end
#
# 13 LYS HG+ 14 ALA HN 4.50 (# 510:15 Unique 2.47, 3.74 A)
&rst
ixpk= 510, nxpk= 15, iat= -1, 199, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 184, 185,
&end
#
# 14 ALA HA 14 ALA HN 3.50 (# 511:15 Unique 2.83, 2.85 A)
&rst
ixpk= 511, nxpk= 15, iat= 201, 199, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:512 14 ALA HN 3.50 (# 512:15 Single Ambig)
&rst
ixpk= 512, nxpk= 15, iat= -1, 199, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 209, 226,
&end
#
# 13 LYS HA 14 ALA HN 5.50 (# 513:15 Unique 3.54, 3.59 A)
&rst
ixpk= 513, nxpk= 15, iat= 179, 199, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 ALA MB 14 ALA HN 2.80 (# 514:15 Unique 2.46, 2.87 A)
&rst
ixpk= 514, nxpk= 15, iat= -1, 199, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 203, 204, 205,
&end
#
# 13 LYS HN 14 ALA HN 4.50 (# 515:15 Unique 2.77, 2.99 A)
&rst
ixpk= 515, nxpk= 15, iat= 177, 199, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 12 PRO HA 14 ALA HN 5.50 (# 516:15 Unique 3.74, 4.08 A)
&rst
ixpk= 516, nxpk= 15, iat= 173, 199, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:518 32 SER HN 5.50 (# 518:15 Single Ambig)
&rst
ixpk= 518, nxpk= 15, iat= -1, 482, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 486, 487, 486, 487,
&end
#
# 32 SER HA 32 SER HN 4.50 (# 519:15 Unique 2.20, 2.75 A)
&rst
ixpk= 519, nxpk= 15, iat= 484, 482, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 31 LEU HB- 31 LEU HN 4.50 (# 520:15 Unique 2.25, 3.07 A)
&rst
ixpk= 520, nxpk= 15, iat= -1, 463, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 467, 468,
&end
#
# 0 AMB 15-2:521 31 LEU HN 3.50 (# 521:15 Single Ambig)
&rst
ixpk= 521, nxpk= 15, iat= -1, 463, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 455, 456, 455, 456,
&end
#
# 0 AMB 15-2:522 31 LEU HN 3.50 (# 522:15 Single Ambig)
&rst
ixpk= 522, nxpk= 15, iat= -1, 463, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 453, 465,
&end
#
# 31 LEU MDX 31 LEU HN 4.50 (# 523:15 Unique 2.04, 4.15 A)
&rst
ixpk= 523, nxpk= 15, iat= -1, 463, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 472, 473, 474, 476, 477, 478,
&end
#
# 0 AMB 15-2:524 0 AMB 15-1:524 5.50 (# 524:15 Double Ambig)
&rst
ixpk= 524, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1139, 936,
igr2=1112, 953,
&end
#
# 72 GLN HA 73 LEU HN 2.80 (# 525:15 Unique 2.14, 2.22 A)
&rst
ixpk= 525, nxpk= 15, iat=1097,1112, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:526 73 LEU HN 2.80 (# 526:15 Single Ambig)
&rst
ixpk= 526, nxpk= 15, iat= -1,1112, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1099,1100,1099,1100,1102,1103,
&end
#
# 0 AMB 15-2:527 73 LEU HN 4.50 (# 527:15 Single Ambig)
&rst
ixpk= 527, nxpk= 15, iat= -1,1112, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1121,1122,1123,1125,1126,1127,1121,1122,1123,1125,
1126,1127,
&end
#
# 73 LEU HG 73 LEU HN 4.50 (# 528:15 Unique 4.13, 4.38 A)
&rst
ixpk= 528, nxpk= 15, iat=1119,1112, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 73 LEU HB+ 73 LEU HN 3.50 (# 529:15 Unique 2.30, 3.07 A)
&rst
ixpk= 529, nxpk= 15, iat= -1,1112, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1116,1117,
&end
#
# 73 LEU HA 73 LEU HN 4.50 (# 530:15 Unique 2.94, 2.98 A)
&rst
ixpk= 530, nxpk= 15, iat=1114,1112, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 73 LEU HB- 73 LEU HN 4.50 (# 531:15 Unique 2.30, 3.07 A)
&rst
ixpk= 531, nxpk= 15, iat= -1,1112, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1116,1117,
&end
#
# 0 AMB 15-2:532 20 PHE HN 5.50 (# 532:15 Single Ambig)
&rst
ixpk= 532, nxpk= 15, iat= -1, 279, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 333, 609, 318, 319, 318, 319, 249, 250,
&end
#
# 0 AMB 15-2:533 31 LEU HN 5.50 (# 533:15 Single Ambig)
&rst
ixpk= 533, nxpk= 15, iat= -1, 463, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 467, 468, 517, 518, 517, 518,
&end
#
# 17 GLN HA 20 PHE HN 5.50 (# 534:15 Unique 3.60, 3.78 A)
&rst
ixpk= 534, nxpk= 15, iat= 244, 279, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 TRP HD1 52 TRP HN 4.50 (# 535:15 Unique 2.67, 3.01 A)
&rst
ixpk= 535, nxpk= 15, iat= 801, 793, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:536 52 TRP HN 4.50 (# 536:15 Single Ambig)
&rst
ixpk= 536, nxpk= 15, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 797, 798, 780, 781,
&end
#
# 0 AMB 15-2:537 157 ARG HN 5.50 (# 537:15 Single Ambig)
&rst
ixpk= 537, nxpk= 15, iat= -1,2419, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2421,2397,
&end
#
# 20 PHE HA 20 PHE HN 4.50 (# 538:15 Unique 2.86, 2.88 A)
&rst
ixpk= 538, nxpk= 15, iat= 281, 279, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 51 GLN HB+ 52 TRP HN 4.50 (# 539:15 Unique 2.83, 3.56 A)
&rst
ixpk= 539, nxpk= 15, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 780, 781,
&end
#
# 19 ALA MB 20 PHE HN 3.50 (# 540:15 Unique 2.41, 3.35 A)
&rst
ixpk= 540, nxpk= 15, iat= -1, 279, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 273, 274, 275,
&end
#
# 20 PHE HB- 20 PHE HN 2.80 (# 541:15 Unique 2.22, 2.91 A)
&rst
ixpk= 541, nxpk= 15, iat= -1, 279, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 283, 284,
&end
#
# 66 ILE MG2 52 TRP HN 5.50 (# 542:15 Unique 3.95, 5.07 A)
&rst
ixpk= 542, nxpk= 15, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1015,1016,1017,
&end
#
# 0 AMB 15-2:543 52 TRP HN 2.80 (# 543:15 Single Ambig)
&rst
ixpk= 543, nxpk= 15, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 778, 795,
&end
#
# 20 PHE HD 20 PHE HN 4.50 (# 544:15 Unique 3.04, 4.11 A)
&rst
ixpk= 544, nxpk= 15, iat= -1, 279, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 287, 295,
&end
#
# 19 ALA HN 20 PHE HN 3.50 (# 545:15 Unique 2.69, 2.79 A)
&rst
ixpk= 545, nxpk= 15, iat= 269, 279, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 GLU HN 20 PHE HN 3.50 (# 546:15 Unique 2.68, 2.74 A)
&rst
ixpk= 546, nxpk= 15, iat= 299, 279, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:547 20 PHE HN 4.50 (# 547:15 Single Ambig)
&rst
ixpk= 547, nxpk= 15, iat= -1, 279, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 611, 612, 613, 615, 616, 617, 342, 343, 344,1582,
1583,1584,1586,1587,1588,
&end
#
# 52 TRP HB+ 52 TRP HN 3.50 (# 549:15 Unique 2.35, 3.05 A)
&rst
ixpk= 549, nxpk= 15, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 797, 798,
&end
#
# 0 AMB 15-2:550 20 PHE HN 4.50 (# 550:15 Single Ambig)
&rst
ixpk= 550, nxpk= 15, iat= -1, 279, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 271, 261,
&end
#
# 0 AMB 15-2:551 52 TRP HN 5.50 (# 551:15 Single Ambig)
&rst
ixpk= 551, nxpk= 15, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1064,1065,1064,1065,1058,
&end
#
# 67 PHE HN 52 TRP HN 5.50 (# 552:15 Unique 2.91, 3.20 A)
&rst
ixpk= 552, nxpk= 15, iat=1028, 793, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:553 52 TRP HN 5.50 (# 553:15 Single Ambig)
&rst
ixpk= 553, nxpk= 15, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 776, 101,
&end
#
# 0 AMB 15-2:554 123 GLY HN 5.50 (# 554:15 Single Ambig)
&rst
ixpk= 554, nxpk= 15, iat= -1,1889, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1= 878, 879, 880,1946,1947,1948,1950,1951,1952,1946,
1947,1948,1950,1951,1952,
&end
#
# 125 ARG HA 126 LEU HN 5.50 (# 555:15 Unique 3.49, 3.57 A)
&rst
ixpk= 555, nxpk= 15, iat=1915,1937, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:556 62 LEU HN 5.50 (# 556:15 Single Ambig)
&rst
ixpk= 556, nxpk= 15, iat= -1, 953, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 955, 974,
&end
#
# 61 MET HB- 62 LEU HN 3.50 (# 557:15 Unique 2.26, 3.18 A)
&rst
ixpk= 557, nxpk= 15, iat= -1, 953, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 940, 941,
&end
#
# 61 MET HA 62 LEU HN 3.50 (# 558:15 Unique 2.23, 2.36 A)
&rst
ixpk= 558, nxpk= 15, iat= 938, 953, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 111 MET HN 62 LEU HN 4.50 (# 559:15 Unique 2.67, 3.02 A)
&rst
ixpk= 559, nxpk= 15, iat=1712, 953, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:560 0 AMB 15-1:560 4.50 (# 560:15 Double Ambig)
&rst
ixpk= 560, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2445,1960,
igr2=2476,1937,
&end
#
# 0 AMB 15-2:561 0 AMB 15-1:561 3.50 (# 561:15 Double Ambig)
&rst
ixpk= 561, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1099,1100,1099,1100, 943, 944,
igr2=1112, 953,
&end
#
# 0 AMB 15-2:562 123 GLY HN 3.50 (# 562:15 Single Ambig)
&rst
ixpk= 562, nxpk= 15, iat= -1,1889, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1874,1913,
&end
#
# 0 AMB 15-2:563 126 LEU HN 2.80 (# 563:15 Single Ambig)
&rst
ixpk= 563, nxpk= 15, iat= -1,1937, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1917,1918,1917,1918,
&end
#
# 126 LEU HB- 126 LEU HN 2.80 (# 564:15 Unique 2.26, 2.63 A)
&rst
ixpk= 564, nxpk= 15, iat= -1,1937, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1941,1942,
&end
#
# 127 THR HN 126 LEU HN 3.50 (# 565:15 Unique 2.26, 2.33 A)
&rst
ixpk= 565, nxpk= 15, iat=1956,1937, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:566 62 LEU HN 4.50 (# 566:15 Single Ambig)
&rst
ixpk= 566, nxpk= 15, iat= -1, 953, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 940, 941,1719,1720,
&end
#
# 123 GLY HA+ 123 GLY HN 3.50 (# 567:15 Unique 2.28, 2.57 A)
&rst
ixpk= 567, nxpk= 15, iat= -1,1889, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1891,1892,
&end
#
# 124 GLN HN 123 GLY HN 4.50 (# 568:15 Unique 2.33, 2.86 A)
&rst
ixpk= 568, nxpk= 15, iat=1896,1889, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:569 123 GLY HN 3.50 (# 569:15 Single Ambig)
&rst
ixpk= 569, nxpk= 15, iat= -1,1889, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1891,1892,1842,
&end
#
# 0 AMB 15-2:570 126 LEU HN 4.50 (# 570:15 Single Ambig)
&rst
ixpk= 570, nxpk= 15, iat= -1,1937, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 122 GLU HB- 123 GLY HN 3.50 (# 571:15 Unique 2.52, 3.33 A)
&rst
ixpk= 571, nxpk= 15, iat= -1,1889, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1878,1879,
&end
#
# 0 AMB 15-2:572 62 LEU HN 5.50 (# 572:15 Single Ambig)
&rst
ixpk= 572, nxpk= 15, iat= -1, 953, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 0 AMB 15-2:573 123 GLY HN 5.50 (# 573:15 Single Ambig)
&rst
ixpk= 573, nxpk= 15, iat= -1,1889, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1823,1824,1825, 581, 582,
&end
#
# 0 AMB 15-2:574 123 GLY HN 4.50 (# 574:15 Single Ambig)
&rst
ixpk= 574, nxpk= 15, iat= -1,1889, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1878,1879,1881,1882,
&end
#
# 126 LEU HA 126 LEU HN 4.50 (# 575:15 Unique 2.92, 2.94 A)
&rst
ixpk= 575, nxpk= 15, iat=1939,1937, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:576 0 AMB 15-1:576 4.50 (# 576:15 Double Ambig)
&rst
ixpk= 576, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2267,2268,1876,
igr2=2265,1889,
&end
#
# 122 GLU HA 126 LEU HN 5.50 (# 577:15 Unique 2.90, 3.56 A)
&rst
ixpk= 577, nxpk= 15, iat=1876,1937, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:578 0 AMB 15-1:578 2.80 (# 578:15 Double Ambig)
&rst
ixpk= 578, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1= 662, 663, 662, 663, 244,
igr2= 658, 242,
&end
#
# 43 SER HA 43 SER HN 4.50 (# 579:15 Unique 2.91, 2.95 A)
&rst
ixpk= 579, nxpk= 15, iat= 660, 658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:580 0 AMB 15-1:580 5.50 (# 580:15 Double Ambig)
&rst
ixpk= 580, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 629, 638,2485,2486, 689, 697,
igr2= 658,2476,
&end
#
# 0 AMB 15-2:582 0 AMB 15-1:582 2.80 (# 582:15 Double Ambig)
&rst
ixpk= 582, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 644,2463,
igr2= 658,2476,
&end
#
# 61 MET HA 62 LEU HN 3.50 (# 583:15 Unique 2.23, 2.36 A)
&rst
ixpk= 583, nxpk= 15, iat= 938, 953, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 55 CYS HN 43 SER HN 5.50 (# 584:15 Unique 2.66, 3.00 A)
&rst
ixpk= 584, nxpk= 15, iat= 838, 658, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 42 VAL HB 43 SER HN 4.50 (# 585:15 Unique 3.82, 4.32 A)
&rst
ixpk= 585, nxpk= 15, iat= 646, 658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:586 0 AMB 15-1:586 2.80 (# 586:15 Double Ambig)
&rst
ixpk= 586, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 648, 649, 650, 652, 653, 654, 232, 233, 234, 236,
237, 238,
igr2= 658, 242,
&end
#
# 0 AMB 15-2:588 43 SER HN 3.50 (# 588:15 Single Ambig)
&rst
ixpk= 588, nxpk= 15, iat= -1, 658, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1960, 671,
&end
#
# 42 VAL MGX 0 AMB 15-1:589 4.50 (# 589:15 Single Ambig)
&rst
ixpk= 589, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 648, 649, 650, 652, 653, 654,
igr2= 658, 242,
&end
#
# 16 VAL MGX 17 GLN HN 5.50 (# 590:15 Unique 3.53, 4.64 A)
&rst
ixpk= 590, nxpk= 15, iat= -1, 242, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 232, 233, 234, 236, 237, 238,
&end
#
# 18 ALA HN 17 GLN HN 4.50 (# 591:15 Unique 2.90, 2.94 A)
&rst
ixpk= 591, nxpk= 15, iat= 259, 242, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:592 0 AMB 15-1:592 3.50 (# 592:15 Double Ambig)
&rst
ixpk= 592, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
igr1= 230,1744,1745, 957, 958, 213, 214,
igr2= 242,1729,
&end
#
# 0 AMB 15-2:593 0 AMB 15-1:593 5.50 (# 593:15 Double Ambig)
&rst
ixpk= 593, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1= 249, 250,1747,1748, 216, 217, 609,
igr2= 242,1729,
&end
#
# 16 VAL HA 17 GLN HN 5.50 (# 594:15 Unique 3.61, 3.63 A)
&rst
ixpk= 594, nxpk= 15, iat= 228, 242, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:595 17 GLN HN 2.80 (# 595:15 Single Ambig)
&rst
ixpk= 595, nxpk= 15, iat= -1, 242, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 246, 247, 246, 247,
&end
#
# 0 AMB 15-2:596 17 GLN HN 3.50 (# 596:15 Single Ambig)
&rst
ixpk= 596, nxpk= 15, iat= -1, 242, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 226, 209,
&end
#
# 0 AMB 15-2:597 0 AMB 15-1:597 5.50 (# 597:15 Double Ambig)
&rst
ixpk= 597, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 187, 188, 187, 188, 263, 264, 265, 187, 188,
igr2= 658, 242,
&end
#
# 0 AMB 15-2:598 17 GLN HN 4.50 (# 598:15 Single Ambig)
&rst
ixpk= 598, nxpk= 15, iat= -1, 242, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 201, 211,
&end
#
# 0 AMB 15-2:599 158 SER HN 5.50 (# 599:15 Single Ambig)
&rst
ixpk= 599, nxpk= 15, iat= -1,2443, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2421,2445,
&end
#
# 0 AMB 15-2:600 79 VAL HN 4.50 (# 600:15 Single Ambig)
&rst
ixpk= 600, nxpk= 15, iat= -1,1234, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1212,1188,
&end
#
# 79 VAL MGX 79 VAL HN 3.50 (# 601:15 Unique 1.62, 3.69 A)
&rst
ixpk= 601, nxpk= 15, iat= -1,1234, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1240,1241,1242,1244,1245,1246,
&end
#
# 79 VAL MGY 79 VAL HN 2.80 (# 602:15 Unique 1.62, 3.69 A)
&rst
ixpk= 602, nxpk= 15, iat= -1,1234, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1240,1241,1242,1244,1245,1246,
&end
#
# 0 AMB 15-2:603 79 VAL HN 3.50 (# 603:15 Single Ambig)
&rst
ixpk= 603, nxpk= 15, iat= -1,1234, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1216,1217,1216,1217,
&end
#
# 80 SER HN 79 VAL HN 5.50 (# 604:15 Unique 4.47, 4.57 A)
&rst
ixpk= 604, nxpk= 15, iat=1250,1234, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 VAL HA 79 VAL HN 3.50 (# 605:15 Unique 2.73, 2.90 A)
&rst
ixpk= 605, nxpk= 15, iat=1236,1234, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 VAL MGX 79 VAL HN 5.50 (# 606:15 Unique 3.58, 6.09 A)
&rst
ixpk= 606, nxpk= 15, iat= -1,1234, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 79 VAL HB 79 VAL HN 2.80 (# 607:15 Unique 2.16, 2.59 A)
&rst
ixpk= 607, nxpk= 15, iat=1238,1234, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 78 LYS HA 79 VAL HN 2.80 (# 608:15 Unique 1.98, 2.24 A)
&rst
ixpk= 608, nxpk= 15, iat=1214,1234, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 78 LYS HG- 79 VAL HN 4.50 (# 609:15 Unique 2.04, 3.20 A)
&rst
ixpk= 609, nxpk= 15, iat= -1,1234, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1219,1220,
&end
#
# 112 SER HA 112 SER HN 3.50 (# 610:15 Unique 2.25, 2.94 A)
&rst
ixpk= 610, nxpk= 15, iat=1731,1729, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 111 MET HA 112 SER HN 4.50 (# 611:15 Unique 2.22, 2.41 A)
&rst
ixpk= 611, nxpk= 15, iat=1714,1729, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:612 112 SER HN 4.50 (# 612:15 Single Ambig)
&rst
ixpk= 612, nxpk= 15, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1719,1720,1719,1720,
&end
#
# 0 AMB 15-2:613 0 AMB 15-1:613 3.50 (# 613:15 Double Ambig)
&rst
ixpk= 613, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1733,1734, 244,
igr2=1729, 242,
&end
#
# 140 THR HA 141 ASN HN 4.50 (# 614:15 Unique 2.18, 2.26 A)
&rst
ixpk= 614, nxpk= 15, iat=2156,2168, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 92 MET HN 91 THR HN 5.50 (# 615:15 Unique 4.26, 4.52 A)
&rst
ixpk= 615, nxpk= 15, iat=1435,1421, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 91 THR HB 91 THR HN 2.80 (# 616:15 Unique 2.49, 2.61 A)
&rst
ixpk= 616, nxpk= 15, iat=1425,1421, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 90 GLY HA- 91 THR HN 2.80 (# 617:15 Unique 2.26, 2.65 A)
&rst
ixpk= 617, nxpk= 15, iat= -1,1421, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1416,1417,
&end
#
# 90 GLY HA+ 91 THR HN 2.80 (# 618:15 Unique 2.26, 2.65 A)
&rst
ixpk= 618, nxpk= 15, iat= -1,1421, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1416,1417,
&end
#
# 90 GLY HN 91 THR HN 5.50 (# 619:15 Unique 3.99, 4.20 A)
&rst
ixpk= 619, nxpk= 15, iat=1414,1421, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 91 THR HA 91 THR HN 2.80 (# 620:15 Unique 2.77, 2.88 A)
&rst
ixpk= 620, nxpk= 15, iat=1423,1421, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 91 THR MG2 91 THR HN 4.50 (# 622:15 Unique 4.22, 4.55 A)
&rst
ixpk= 622, nxpk= 15, iat= -1,1421, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1427,1428,1429,
&end
#
# 81 GLU HB- 82 LYS HN 3.50 (# 624:15 Unique 2.56, 3.23 A)
&rst
ixpk= 624, nxpk= 15, iat= -1,1276, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1265,1266,
&end
#
# 0 AMB 15-2:625 82 LYS HN 2.80 (# 625:15 Single Ambig)
&rst
ixpk= 625, nxpk= 15, iat= -1,1276, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1283,1284,1280,1281,
&end
#
# 82 LYS HB+ 82 LYS HN 3.50 (# 626:15 Unique 2.49, 3.19 A)
&rst
ixpk= 626, nxpk= 15, iat= -1,1276, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1280,1281,
&end
#
# 82 LYS HA 82 LYS HN 3.50 (# 627:15 Unique 2.96, 2.99 A)
&rst
ixpk= 627, nxpk= 15, iat=1278,1276, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 ILE HN 82 LYS HN 5.50 (# 628:15 Unique 4.44, 4.48 A)
&rst
ixpk= 628, nxpk= 15, iat=1298,1276, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 93 THR MG2 82 LYS HN 5.50 (# 629:15 Unique 5.17, 6.22 A)
&rst
ixpk= 629, nxpk= 15, iat= -1,1276, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1458,1459,1460,
&end
#
# 81 GLU HB+ 82 LYS HN 3.50 (# 630:15 Unique 2.56, 3.23 A)
&rst
ixpk= 630, nxpk= 15, iat= -1,1276, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1265,1266,
&end
#
# 81 GLU HA 82 LYS HN 2.80 (# 631:15 Unique 2.33, 2.46 A)
&rst
ixpk= 631, nxpk= 15, iat=1263,1276, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 81 GLU HG+ 82 LYS HN 4.50 (# 632:15 Unique 3.66, 4.96 A)
&rst
ixpk= 632, nxpk= 15, iat= -1,1276, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1268,1269,
&end
#
# 81 GLU HN 82 LYS HN 5.50 (# 633:15 Unique 4.37, 4.55 A)
&rst
ixpk= 633, nxpk= 15, iat=1261,1276, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
&rst
ixpk= 635, nxpk= 15, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 943, 944,
&end
#
# 61 MET HN 58 THR HN 5.50 (# 636:15 Unique 2.79, 2.90 A)
&rst
ixpk= 636, nxpk= 15, iat= 936, 884, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 PHE HN 44 ASP HN 4.50 (# 637:15 Unique 4.23, 4.42 A)
&rst
ixpk= 637, nxpk= 15, iat= 681, 669, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 131 ALA MB 44 ASP HN 5.50 (# 638:15 Unique 5.25, 6.18 A)
&rst
ixpk= 638, nxpk= 15, iat= -1, 669, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2009,2010,2011,
&end
#
# 0 AMB 15-2:639 44 ASP HN 5.50 (# 639:15 Single Ambig)
&rst
ixpk= 639, nxpk= 15, iat= -1, 669, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 184, 185,1962,1963,1964,
&end
#
# 140 THR HB 140 THR HN 2.80 (# 640:15 Unique 2.36, 2.57 A)
&rst
ixpk= 640, nxpk= 15, iat=2158,2154, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:641 140 THR HN 4.50 (# 641:15 Single Ambig)
&rst
ixpk= 641, nxpk= 15, iat= -1,2154, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2144,2145,2146,2148,2149,2150,2144,2145,2146,2148,
2149,2150,
&end
#
# 145 PRO HA 146 HIS HN 5.50 (# 642:15 Unique 2.22, 2.85 A)
&rst
ixpk= 642, nxpk= 15, iat=2234,2238, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:643 44 ASP HN 2.80 (# 643:15 Single Ambig)
&rst
ixpk= 643, nxpk= 15, iat= -1, 669, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 673, 674, 190, 191, 190, 191,
&end
#
# 44 ASP HA 44 ASP HN 2.80 (# 644:15 Unique 2.90, 2.94 A)
&rst
ixpk= 644, nxpk= 15, iat= 671, 669, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 44 ASP HB- 44 ASP HN 2.80 (# 645:15 Unique 2.47, 3.04 A)
&rst
ixpk= 645, nxpk= 15, iat= -1, 669, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 673, 674,
&end
#
# 0 AMB 15-2:646 44 ASP HN 3.50 (# 646:15 Single Ambig)
&rst
ixpk= 646, nxpk= 15, iat= -1, 669, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 662, 663, 662, 663,
&end
#
# 43 SER HA 44 ASP HN 2.80 (# 647:15 Unique 2.29, 2.37 A)
&rst
ixpk= 647, nxpk= 15, iat= 660, 669, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 140 THR MG2 140 THR HN 5.50 (# 648:15 Unique 4.27, 4.49 A)
&rst
ixpk= 648, nxpk= 15, iat= -1,2154, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2160,2161,2162,
&end
#
# 57 ILE MD1 58 THR HN 4.50 (# 649:15 Unique 2.61, 4.76 A)
&rst
ixpk= 649, nxpk= 15, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 878, 879, 880,
&end
#
# 139 VAL HB 140 THR HN 4.50 (# 650:15 Unique 2.43, 3.99 A)
&rst
ixpk= 650, nxpk= 15, iat=2142,2154, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:651 146 HIS HN 5.50 (# 651:15 Single Ambig)
&rst
ixpk= 651, nxpk= 15, iat= -1,2238, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2242,2243,2242,2243,
&end
#
# 57 ILE HG1+ 58 THR HN 4.50 (# 652:15 Unique 2.08, 2.66 A)
&rst
ixpk= 652, nxpk= 15, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 875, 876,
&end
#
# 0 AMB 15-2:653 58 THR HN 5.50 (# 653:15 Single Ambig)
&rst
ixpk= 653, nxpk= 15, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 869, 609,
&end
#
# 62 LEU HA 58 THR HN 4.50 (# 654:15 Unique 3.42, 3.73 A)
&rst
ixpk= 654, nxpk= 15, iat= 955, 884, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:655 58 THR HN 4.50 (# 655:15 Single Ambig)
&rst
ixpk= 655, nxpk= 15, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 890, 891, 892, 855, 856, 857, 859, 860, 861,
&end
#
# 57 ILE HA 58 THR HN 3.50 (# 656:15 Unique 2.18, 2.25 A)
&rst
ixpk= 656, nxpk= 15, iat= 867, 884, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 61 MET HN 58 THR HN 5.50 (# 657:15 Unique 2.79, 2.90 A)
&rst
ixpk= 657, nxpk= 15, iat= 936, 884, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 57 ILE HG1- 58 THR HN 4.50 (# 658:15 Unique 2.08, 2.66 A)
&rst
ixpk= 658, nxpk= 15, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 875, 876,
&end
#
# 51 GLN HN 50 GLY HN 4.50 (# 662:15 Unique 2.63, 2.77 A)
&rst
ixpk= 662, nxpk= 15, iat= 776, 769, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:663 50 GLY HN 4.50 (# 663:15 Single Ambig)
&rst
ixpk= 663, nxpk= 15, iat= -1, 769, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 736, 717, 778,
&end
#
# 49 GLU HN 50 GLY HN 4.50 (# 664:15 Unique 2.07, 2.80 A)
&rst
ixpk= 664, nxpk= 15, iat= 754, 769, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 GLY HN 6 ALA HN 5.50 (# 665:15 Unique 4.36, 4.49 A)
&rst
ixpk= 665, nxpk= 15, iat= 94, 84, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 GLY HA- 50 GLY HN 2.80 (# 666:15 Unique 2.23, 2.58 A)
&rst
ixpk= 666, nxpk= 15, iat= -1, 769, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 771, 772,
&end
#
# 49 GLU HA 50 GLY HN 3.50 (# 667:15 Unique 2.21, 2.75 A)
&rst
ixpk= 667, nxpk= 15, iat= 756, 769, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 5 ILE MG2 6 ALA HN 3.50 (# 668:15 Unique 2.58, 3.68 A)
&rst
ixpk= 668, nxpk= 15, iat= -1, 84, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 71, 72, 73,
&end
#
# 6 ALA MB 6 ALA HN 2.80 (# 669:15 Unique 2.41, 3.02 A)
&rst
ixpk= 669, nxpk= 15, iat= -1, 84, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 88, 89, 90,
&end
#
# 5 ILE HA 6 ALA HN 2.80 (# 670:15 Unique 2.15, 2.20 A)
&rst
ixpk= 670, nxpk= 15, iat= 67, 84, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 6 ALA HA 6 ALA HN 3.50 (# 671:15 Unique 2.84, 2.94 A)
&rst
ixpk= 671, nxpk= 15, iat= 86, 84, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:672 143 ASP HN 3.50 (# 672:15 Single Ambig)
&rst
ixpk= 672, nxpk= 15, iat= -1,2196, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2189,2190,2186,2187,2186,2187,
&end
#
# 50 GLY HA+ 50 GLY HN 2.80 (# 673:15 Unique 2.23, 2.58 A)
&rst
ixpk= 673, nxpk= 15, iat= -1, 769, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 771, 772,
&end
#
# 5 ILE HN 6 ALA HN 5.50 (# 674:15 Unique 4.11, 4.30 A)
&rst
ixpk= 674, nxpk= 15, iat= 65, 84, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:675 143 ASP HN 3.50 (# 675:15 Single Ambig)
&rst
ixpk= 675, nxpk= 15, iat= -1,2196, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2200,2201,2172,2173,
&end
#
# 143 ASP HA 143 ASP HN 2.80 (# 676:15 Unique 2.83, 2.88 A)
&rst
ixpk= 676, nxpk= 15, iat=2198,2196, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 143 ASP HB- 143 ASP HN 3.50 (# 677:15 Unique 2.35, 2.83 A)
&rst
ixpk= 677, nxpk= 15, iat= -1,2196, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2200,2201,
&end
#
# 0 AMB 15-2:678 0 AMB 15-1:678 4.50 (# 678:15 Double Ambig)
&rst
ixpk= 678, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=2183,2184,2183,2184, 410, 411, 486, 487,
igr2=2196, 451,
&end
#
# 141 ASN HD2+ 143 ASP HN 5.50 (# 679:15 Unique 2.50, 4.60 A)
&rst
ixpk= 679, nxpk= 15, iat= -1,2196, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2177,2178,
&end
#
# 32 SER HN 30 ASP HN 4.50 (# 680:15 Unique 3.89, 4.37 A)
&rst
ixpk= 680, nxpk= 15, iat= 482, 451, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:681 50 GLY HN 4.50 (# 681:15 Single Ambig)
&rst
ixpk= 681, nxpk= 15, iat= -1, 769, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 758, 759, 761, 762,
&end
#
# 0 AMB 15-2:682 6 ALA HN 4.50 (# 682:15 Single Ambig)
&rst
ixpk= 682, nxpk= 15, iat= -1, 84, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 69, 54, 55,
&end
#
# 48 PHE HN 50 GLY HN 5.50 (# 683:15 Unique 3.59, 4.13 A)
&rst
ixpk= 683, nxpk= 15, iat= 734, 769, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 149 ARG HA 149 ARG HN 2.80 (# 684:15 Unique 2.19, 2.79 A)
&rst
ixpk= 684, nxpk= 15, iat=2274,2272, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:686 0 AMB 15-1:686 4.50 (# 686:15 Double Ambig)
&rst
ixpk= 686, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2300,2301,2300,2301, 54, 55,
igr2=2296, 50,
&end
#
# 0 AMB 15-2:687 0 AMB 15-1:687 4.50 (# 687:15 Double Ambig)
&rst
ixpk= 687, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2274, 37,
igr2=2296, 50,
&end
#
# 4 GLU HB+ 4 GLU HN 2.80 (# 688:15 Unique 2.48, 3.37 A)
&rst
ixpk= 688, nxpk= 15, iat= -1, 50, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 54, 55,
&end
#
# 0 AMB 15-2:689 4 GLU HN 2.80 (# 689:15 Single Ambig)
&rst
ixpk= 689, nxpk= 15, iat= -1, 50, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 57, 58, 57, 58, 39, 40,
&end
#
# 5 ILE HN 4 GLU HN 4.50 (# 690:15 Unique 4.10, 4.40 A)
&rst
ixpk= 690, nxpk= 15, iat= 65, 50, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 124 GLN HB- 124 GLN HN 3.50 (# 691:15 Unique 2.16, 2.98 A)
&rst
ixpk= 691, nxpk= 15, iat= -1,1896, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1900,1901,
&end
#
# 0 AMB 15-2:692 4 GLU HN 3.50 (# 692:15 Single Ambig)
&rst
ixpk= 692, nxpk= 15, iat= -1, 50, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
&end
#
# 76 LEU HA 4 GLU HN 4.50 (# 693:15 Unique 3.78, 4.53 A)
&rst
ixpk= 693, nxpk= 15, iat=1171, 50, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 123 GLY HN 124 GLN HN 3.50 (# 695:15 Unique 2.33, 2.86 A)
&rst
ixpk= 695, nxpk= 15, iat=1889,1896, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:696 124 GLN HN 2.80 (# 696:15 Single Ambig)
&rst
ixpk= 696, nxpk= 15, iat= -1,1896, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1900,1901,1903,1904,
&end
#
# 124 GLN HB- 124 GLN HN 2.80 (# 697:15 Unique 2.16, 2.98 A)
&rst
ixpk= 697, nxpk= 15, iat= -1,1896, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1900,1901,
&end
#
# 0 AMB 15-2:698 124 GLN HN 2.80 (# 698:15 Single Ambig)
&rst
ixpk= 698, nxpk= 15, iat= -1,1896, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1903,1904, 595, 596, 595, 596,
&end
#
# 125 ARG HN 124 GLN HN 3.50 (# 699:15 Unique 2.39, 2.71 A)
&rst
ixpk= 699, nxpk= 15, iat=1913,1896, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:700 124 GLN HN 3.50 (# 700:15 Single Ambig)
&rst
ixpk= 700, nxpk= 15, iat= -1,1896, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1891,1892,1861,
&end
#
# 124 GLN HA 124 GLN HN 4.50 (# 701:15 Unique 2.80, 2.89 A)
&rst
ixpk= 701, nxpk= 15, iat=1898,1896, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:702 124 GLN HN 4.50 (# 702:15 Single Ambig)
&rst
ixpk= 702, nxpk= 15, iat= -1,1896, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1891,1892,1842,
&end
#
# 0 AMB 15-2:703 124 GLN HN 5.50 (# 703:15 Single Ambig)
&rst
ixpk= 703, nxpk= 15, iat= -1,1896, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1846,1847,1848, 878, 879, 880,
&end
#
# 159 GLY HA- 160 GLU HN 5.50 (# 704:15 Unique 2.35, 3.30 A)
&rst
ixpk= 704, nxpk= 15, iat= -1,2461, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2456,2457,
&end
#
# 38 MET HG+ 38 MET HN 5.50 (# 705:15 Unique 2.57, 4.03 A)
&rst
ixpk= 705, nxpk= 15, iat= -1, 574, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 581, 582,
&end
#
# 36 PRO HB+ 38 MET HN 5.50 (# 706:15 Unique 2.39, 3.87 A)
&rst
ixpk= 706, nxpk= 15, iat= -1, 574, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 556, 557,
&end
#
# 36 PRO HB- 38 MET HN 5.50 (# 707:15 Unique 2.39, 3.87 A)
&rst
ixpk= 707, nxpk= 15, iat= -1, 574, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 556, 557,
&end
#
# 59 PRO HB+ 38 MET HN 5.50 (# 708:15 Unique 3.65, 5.24 A)
&rst
ixpk= 708, nxpk= 15, iat= -1, 574, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 905, 906,
&end
#
# 0 AMB 15-2:709 38 MET HN 2.80 (# 709:15 Single Ambig)
&rst
ixpk= 709, nxpk= 15, iat= -1, 574, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 565, 576,
&end
#
# 0 AMB 15-2:710 38 MET HN 5.50 (# 710:15 Single Ambig)
&rst
ixpk= 710, nxpk= 15, iat= -1, 574, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 559, 908,
&end
#
# 38 MET HB+ 38 MET HN 4.50 (# 711:15 Unique 2.49, 3.37 A)
&rst
ixpk= 711, nxpk= 15, iat= -1, 574, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 578, 579,
&end
#
# 37 SER HN 38 MET HN 2.80 (# 712:15 Unique 2.29, 2.76 A)
&rst
ixpk= 712, nxpk= 15, iat= 563, 574, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 37 SER HB+ 38 MET HN 5.50 (# 713:15 Unique 2.83, 4.13 A)
&rst
ixpk= 713, nxpk= 15, iat= -1, 574, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 567, 568,
&end
#
# 38 MET HB- 38 MET HN 3.50 (# 714:15 Unique 2.49, 3.37 A)
&rst
ixpk= 714, nxpk= 15, iat= -1, 574, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 578, 579,
&end
#
# 0 AMB 15-2:715 38 MET HN 4.50 (# 715:15 Single Ambig)
&rst
ixpk= 715, nxpk= 15, iat= -1, 574, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 567, 568, 592, 593,
&end
#
# 0 AMB 15-2:716 38 MET HN 5.50 (# 716:15 Single Ambig)
&rst
ixpk= 716, nxpk= 15, iat= -1, 574, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 605, 532,
&end
#
# 154 PHE HA 155 GLY HN 5.50 (# 717:15 Unique 2.20, 2.98 A)
&rst
ixpk= 717, nxpk= 15, iat=2370,2388, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 155 GLY HA- 155 GLY HN 4.50 (# 719:15 Unique 2.29, 2.64 A)
&rst
ixpk= 719, nxpk= 15, iat= -1,2388, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2390,2391,
&end
#
# 0 AMB 15-2:720 76 LEU HN 5.50 (# 720:15 Single Ambig)
&rst
ixpk= 720, nxpk= 15, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 39, 40,1159,1160,1159,1160,1192,1193,
&end
#
# 76 LEU HB- 76 LEU HN 2.80 (# 721:15 Unique 2.29, 2.55 A)
&rst
ixpk= 721, nxpk= 15, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1173,1174,
&end
#
# 0 AMB 15-2:722 76 LEU HN 4.50 (# 722:15 Single Ambig)
&rst
ixpk= 722, nxpk= 15, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 57, 58, 57, 58,
&end
#
# 75 PRO HB+ 76 LEU HN 4.50 (# 723:15 Unique 2.84, 3.41 A)
&rst
ixpk= 723, nxpk= 15, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1162,1163,
&end
#
# 76 LEU HA 76 LEU HN 4.50 (# 724:15 Unique 2.81, 2.88 A)
&rst
ixpk= 724, nxpk= 15, iat=1171,1169, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 PRO HA 76 LEU HN 2.80 (# 725:15 Unique 2.25, 2.34 A)
&rst
ixpk= 725, nxpk= 15, iat=1165,1169, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:726 76 LEU HN 3.50 (# 726:15 Single Ambig)
&rst
ixpk= 726, nxpk= 15, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184,
&end
#
# 76 LEU HB+ 76 LEU HN 2.80 (# 727:15 Unique 2.29, 2.55 A)
&rst
ixpk= 727, nxpk= 15, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1173,1174,
&end
#
# 75 PRO HB- 76 LEU HN 3.50 (# 728:15 Unique 2.84, 3.41 A)
&rst
ixpk= 728, nxpk= 15, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1162,1163,
&end
#
# 0 AMB 15-2:729 76 LEU HN 4.50 (# 729:15 Single Ambig)
&rst
ixpk= 729, nxpk= 15, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1176,1192,1193,
&end
#
# 0 AMB 15-2:730 76 LEU HN 4.50 (# 730:15 Single Ambig)
&rst
ixpk= 730, nxpk= 15, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1188, 35,
&end
#
# 138 PRO HB+ 139 VAL HN 5.50 (# 731:15 Unique 2.47, 3.37 A)
&rst
ixpk= 731, nxpk= 15, iat= -1,2138, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2131,2132,
&end
#
# 139 VAL HA 139 VAL HN 5.50 (# 732:15 Unique 2.21, 2.88 A)
&rst
ixpk= 732, nxpk= 15, iat=2140,2138, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:733 139 VAL HN 4.50 (# 733:15 Single Ambig)
&rst
ixpk= 733, nxpk= 15, iat= -1,2138, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2144,2145,2146,2148,2149,2150,2144,2145,2146,2148,
2149,2150,
&end
#
# 139 VAL HB 139 VAL HN 4.50 (# 734:15 Unique 2.49, 3.01 A)
&rst
ixpk= 734, nxpk= 15, iat=2142,2138, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 138 PRO HA 139 VAL HN 3.50 (# 735:15 Unique 2.19, 2.32 A)
&rst
ixpk= 735, nxpk= 15, iat=2134,2138, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 102 VAL MGY 102 VAL HN 3.50 (# 738:15 Unique 2.51, 4.15 A)
&rst
ixpk= 738, nxpk= 15, iat= -1,1576, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1582,1583,1584,1586,1587,1588,
&end
#
# 0 AMB 15-2:739 102 VAL HN 5.50 (# 739:15 Single Ambig)
&rst
ixpk= 739, nxpk= 15, iat= -1,1576, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1542,1543, 273, 274, 275,
&end
#
# 99 LEU HB+ 102 VAL HN 5.50 (# 740:15 Unique 3.72, 4.82 A)
&rst
ixpk= 740, nxpk= 15, iat= -1,1576, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1542,1543,
&end
#
# 103 SER HN 102 VAL HN 3.50 (# 741:15 Unique 1.87, 3.17 A)
&rst
ixpk= 741, nxpk= 15, iat=1592,1576, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 102 VAL MGX 102 VAL HN 2.80 (# 742:15 Unique 2.51, 4.15 A)
&rst
ixpk= 742, nxpk= 15, iat= -1,1576, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1582,1583,1584,1586,1587,1588,
&end
#
# 101 GLY HA- 102 VAL HN 4.50 (# 743:15 Unique 3.13, 3.37 A)
&rst
ixpk= 743, nxpk= 15, iat= -1,1576, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1571,1572,
&end
#
# 101 GLY HA+ 102 VAL HN 3.50 (# 744:15 Unique 3.13, 3.37 A)
&rst
ixpk= 744, nxpk= 15, iat= -1,1576, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1571,1572,
&end
#
# 101 GLY HN 102 VAL HN 3.50 (# 745:15 Unique 2.70, 2.77 A)
&rst
ixpk= 745, nxpk= 15, iat=1569,1576, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 102 VAL HB 102 VAL HN 2.80 (# 746:15 Unique 2.23, 2.73 A)
&rst
ixpk= 746, nxpk= 15, iat=1580,1576, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:747 102 VAL HN 2.80 (# 747:15 Single Ambig)
&rst
ixpk= 747, nxpk= 15, iat= -1,1576, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1578,1559,
&end
#
# 0 AMB 15-2:748 102 VAL HN 5.50 (# 748:15 Single Ambig)
&rst
ixpk= 748, nxpk= 15, iat= -1,1576, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1530,1531,1530,1531,
&end
#
# 0 AMB 15-2:749 11 SER HN 2.80 (# 749:15 Single Ambig)
&rst
ixpk= 749, nxpk= 15, iat= -1, 152, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 156, 157, 156, 157,
&end
#
# 10 THR HA 11 SER HN 2.80 (# 750:15 Unique 2.37, 2.58 A)
&rst
ixpk= 750, nxpk= 15, iat= 140, 152, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:751 11 SER HN 3.50 (# 751:15 Single Ambig)
&rst
ixpk= 751, nxpk= 15, iat= -1, 152, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 144, 145, 146, 181, 182,
&end
#
# 11 SER HA 11 SER HN 3.50 (# 752:15 Unique 2.65, 2.81 A)
&rst
ixpk= 752, nxpk= 15, iat= 154, 152, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 10 THR HB 11 SER HN 3.50 (# 753:15 Unique 2.11, 2.39 A)
&rst
ixpk= 753, nxpk= 15, iat= 142, 152, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 67 PHE HD 11 SER HN 5.50 (# 754:15 Unique 4.18, 6.12 A)
&rst
ixpk= 754, nxpk= 15, iat= -1, 152, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1036,1044,
&end
#
# 155 GLY HA- 156 ARG HN 4.50 (# 755:15 Unique 2.18, 2.72 A)
&rst
ixpk= 755, nxpk= 15, iat= -1,2395, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2390,2391,
&end
#
# 156 ARG HB- 156 ARG HN 5.50 (# 756:15 Unique 2.54, 3.31 A)
&rst
ixpk= 756, nxpk= 15, iat= -1,2395, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2399,2400,
&end
#
# 151 ALA MB 151 ALA HN 4.50 (# 757:15 Unique 2.45, 2.92 A)
&rst
ixpk= 757, nxpk= 15, iat= -1,2320, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=2324,2325,2326,
&end
#
# 0 AMB 15-2:758 151 ALA HN 4.50 (# 758:15 Single Ambig)
&rst
ixpk= 758, nxpk= 15, iat= -1,2320, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2298,2322,
&end
#
# 13 LYS HN 16 VAL HN 5.50 (# 759:15 Unique 4.68, 4.81 A)
&rst
ixpk= 759, nxpk= 15, iat= 177, 226, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 128 ASP HB+ 128 ASP HN 2.80 (# 760:15 Unique 2.11, 2.46 A)
&rst
ixpk= 760, nxpk= 15, iat= -1,1970, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1974,1975,
&end
#
# 0 AMB 15-2:761 128 ASP HN 5.50 (# 761:15 Single Ambig)
&rst
ixpk= 761, nxpk= 15, iat= -1,1970, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1958, 662, 663, 662, 663,
&end
#
# 41 TYR HD 128 ASP HN 5.50 (# 762:15 Unique 4.56, 6.69 A)
&rst
ixpk= 762, nxpk= 15, iat= -1,1970, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 629, 638,
&end
#
# 129 ASP HN 128 ASP HN 3.50 (# 763:15 Unique 2.69, 2.82 A)
&rst
ixpk= 763, nxpk= 15, iat=1982,1970, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 128 ASP HB- 128 ASP HN 3.50 (# 764:15 Unique 2.11, 2.46 A)
&rst
ixpk= 764, nxpk= 15, iat= -1,1970, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1974,1975,
&end
#
# 41 TYR HE 128 ASP HN 5.50 (# 765:15 Unique 3.26, 5.91 A)
&rst
ixpk= 765, nxpk= 15, iat= -1,1970, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 631, 636,
&end
#
# 16 VAL HA 16 VAL HN 4.50 (# 766:15 Unique 2.85, 2.87 A)
&rst
ixpk= 766, nxpk= 15, iat= 228, 226, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:767 128 ASP HN 2.80 (# 767:15 Single Ambig)
&rst
ixpk= 767, nxpk= 15, iat= -1,1970, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1960,1972,
&end
#
# 16 VAL MGX 16 VAL HN 2.80 (# 768:15 Unique 2.25, 3.87 A)
&rst
ixpk= 768, nxpk= 15, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 232, 233, 234, 236, 237, 238,
&end
#
# 17 GLN HN 16 VAL HN 3.50 (# 769:15 Unique 2.66, 2.74 A)
&rst
ixpk= 769, nxpk= 15, iat= 242, 226, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 127 THR MG2 128 ASP HN 4.50 (# 770:15 Unique 3.88, 4.67 A)
&rst
ixpk= 770, nxpk= 15, iat= -1,1970, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1962,1963,1964,
&end
#
# 0 AMB 15-2:771 16 VAL HN 2.80 (# 771:15 Single Ambig)
&rst
ixpk= 771, nxpk= 15, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 230, 213, 214, 213, 214,
&end
#
# 0 AMB 15-2:772 16 VAL HN 3.50 (# 772:15 Single Ambig)
&rst
ixpk= 772, nxpk= 15, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 232, 233, 234, 236, 237, 238, 170, 171,
&end
#
# 0 AMB 15-2:773 16 VAL HN 4.50 (# 773:15 Single Ambig)
&rst
ixpk= 773, nxpk= 15, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 211, 201,
&end
#
# 14 ALA HN 16 VAL HN 5.50 (# 774:15 Unique 4.10, 4.34 A)
&rst
ixpk= 774, nxpk= 15, iat= 199, 226, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:775 128 ASP HN 5.50 (# 775:15 Single Ambig)
&rst
ixpk= 775, nxpk= 15, iat= -1,1970, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 136 SER HN 137 LEU HN 3.50 (# 776:15 Unique 1.91, 2.88 A)
&rst
ixpk= 776, nxpk= 15, iat=2094,2105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:777 0 AMB 15-1:777 4.50 (# 777:15 Double Ambig)
&rst
ixpk= 777, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2125,2126,1915,
igr2=2105,1970,
&end
#
# 0 AMB 15-2:778 0 AMB 15-1:778 5.50 (# 778:15 Double Ambig)
&rst
ixpk= 778, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.47, r4=10.22,
igr1=2019,2020,2128,2129,2128,2129,1383,1384, 246, 247,
246, 247,1580,
igr2=2105, 226,
&end
#
# 0 AMB 15-2:779 69 GLY HN 4.50 (# 779:15 Single Ambig)
&rst
ixpk= 779, nxpk= 15, iat= -1,1062, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1099,1100,1099,1100, 780, 781,
&end
#
# 0 AMB 15-2:780 69 GLY HN 3.50 (# 780:15 Single Ambig)
&rst
ixpk= 780, nxpk= 15, iat= -1,1062, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1058,1064,1065,1064,1065,
&end
#
# 51 GLN HA 69 GLY HN 5.50 (# 781:15 Unique 2.51, 2.94 A)
&rst
ixpk= 781, nxpk= 15, iat= 778,1062, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:782 0 AMB 15-1:782 4.50 (# 782:15 Double Ambig)
&rst
ixpk= 782, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2075, 631, 636,
igr2=2105,1970,
&end
#
# 17 GLN HN 15 GLN HN 5.50 (# 784:15 Unique 3.93, 4.00 A)
&rst
ixpk= 784, nxpk= 15, iat= 242, 209, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:785 137 LEU HN 2.80 (# 785:15 Single Ambig)
&rst
ixpk= 785, nxpk= 15, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2096,2134,
&end
#
# 0 AMB 15-2:786 137 LEU HN 4.50 (# 786:15 Single Ambig)
&rst
ixpk= 786, nxpk= 15, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=2098,2099,2058,
&end
#
# 0 AMB 15-2:787 15 GLN HN 4.50 (# 787:15 Single Ambig)
&rst
ixpk= 787, nxpk= 15, iat= -1, 209, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 232, 233, 234, 236, 237, 238, 167, 168,
&end
#
# 14 ALA MB 15 GLN HN 2.80 (# 788:15 Unique 2.41, 3.37 A)
&rst
ixpk= 788, nxpk= 15, iat= -1, 209, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 203, 204, 205,
&end
#
# 0 AMB 15-2:789 15 GLN HN 2.80 (# 789:15 Single Ambig)
&rst
ixpk= 789, nxpk= 15, iat= -1, 209, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 213, 214, 213, 214,
&end
#
# 15 GLN HG- 15 GLN HN 3.50 (# 790:15 Unique 2.46, 3.23 A)
&rst
ixpk= 790, nxpk= 15, iat= -1, 209, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 216, 217,
&end
#
# 0 AMB 15-2:791 15 GLN HN 2.80 (# 791:15 Single Ambig)
&rst
ixpk= 791, nxpk= 15, iat= -1, 209, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 211, 201,
&end
#
# 14 ALA HN 15 GLN HN 3.50 (# 792:15 Unique 2.65, 2.70 A)
&rst
ixpk= 792, nxpk= 15, iat= 199, 209, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:793 137 LEU HN 5.50 (# 793:15 Single Ambig)
&rst
ixpk= 793, nxpk= 15, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2079,2080,2079,2080,
&end
#
# 0 AMB 15-2:794 15 GLN HN 5.50 (# 794:15 Single Ambig)
&rst
ixpk= 794, nxpk= 15, iat= -1, 209, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 170, 171,1582,1583,1584,1586,1587,1588, 184, 185,
&end
#
# 0 AMB 15-2:795 15 GLN HN 5.50 (# 795:15 Single Ambig)
&rst
ixpk= 795, nxpk= 15, iat= -1, 209, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 187, 188, 187, 188, 273, 274, 275,
&end
#
# 15 GLN HG+ 15 GLN HN 4.50 (# 796:15 Unique 2.46, 3.23 A)
&rst
ixpk= 796, nxpk= 15, iat= -1, 209, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 216, 217,
&end
#
# 12 PRO HA 15 GLN HN 5.50 (# 797:15 Unique 3.66, 3.84 A)
&rst
ixpk= 797, nxpk= 15, iat= 173, 209, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 LYS HN 15 GLN HN 5.50 (# 798:15 Unique 4.05, 4.27 A)
&rst
ixpk= 798, nxpk= 15, iat= 177, 209, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:799 137 LEU HN 5.50 (# 799:15 Single Ambig)
&rst
ixpk= 799, nxpk= 15, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2077,2017,
&end
#
#
# 136 SER HN 137 LEU HN 3.50 (# 802:15 Unique 1.91, 2.88 A)
&rst
ixpk= 802, nxpk= 15, iat=2094,2105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:803 137 LEU HN 5.5 (# 803:15 Single Ambig)
&rst
ixpk= 803, nxpk= 15, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 4.29, r4= 5.04,
igr1=2114,2115,2116,2118,2119,2120,2114,2115,2116,2118,
2119,2120,2112,
&end
#
# 99 LEU HB+ 99 LEU HN 4.50 (# 808:15 Unique 2.47, 2.68 A)
&rst
ixpk= 808, nxpk= 15, iat= -1,1538, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1542,1543,
&end
#
# 105 TYR HE 99 LEU HN 4.50 (# 809:15 Unique 2.80, 5.30 A)
&rst
ixpk= 809, nxpk= 15, iat= -1,1538, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1630,1635,
&end
#
# 0 AMB 15-2:810 99 LEU HN 4.50 (# 810:15 Single Ambig)
&rst
ixpk= 810, nxpk= 15, iat= -1,1538, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1530,1531,1530,1531,
&end
#
# 0 AMB 15-2:812 137 LEU HN 3.50 (# 812:15 Single Ambig)
&rst
ixpk= 812, nxpk= 15, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2125,2126,2098,2099,
&end
#
# 99 LEU MDY 99 LEU HN 5.50 (# 813:15 Unique 4.72, 5.34 A)
&rst
ixpk= 813, nxpk= 15, iat= -1,1538, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1547,1548,1549,1551,1552,1553,
&end
#
# 99 LEU MDX 99 LEU HN 5.50 (# 814:15 Unique 4.72, 5.34 A)
&rst
ixpk= 814, nxpk= 15, iat= -1,1538, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1547,1548,1549,1551,1552,1553,
&end
#
# 99 LEU HG 99 LEU HN 4.50 (# 815:15 Unique 4.44, 4.49 A)
&rst
ixpk= 815, nxpk= 15, iat=1545,1538, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:817 99 LEU HN 4.50 (# 817:15 Single Ambig)
&rst
ixpk= 817, nxpk= 15, iat= -1,1538, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1580,1527,1528,1624,1625,
&end
#
# 0 AMB 15-2:818 28 MET HN 5.50 (# 818:15 Single Ambig)
&rst
ixpk= 818, nxpk= 15, iat= -1, 417, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 424, 425, 424, 425,
&end
#
# 104 GLN HA 99 LEU HN 4.50 (# 819:15 Unique 3.00, 3.47 A)
&rst
ixpk= 819, nxpk= 15, iat=1605,1538, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 105 TYR HD 99 LEU HN 3.50 (# 820:15 Unique 2.79, 5.06 A)
&rst
ixpk= 820, nxpk= 15, iat= -1,1538, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1628,1637,
&end
#
# 96 VAL MGY 81 GLU HN 3.50 (# 821:15 Unique 3.53, 4.85 A)
&rst
ixpk= 821, nxpk= 15, iat= -1,1261, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 0 AMB 15-2:822 81 GLU HN 4.50 (# 822:15 Single Ambig)
&rst
ixpk= 822, nxpk= 15, iat= -1,1261, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1492,1493,1494,1240,1241,1242,1244,1245,1246,
&end
#
# 81 GLU HB- 81 GLU HN 2.80 (# 823:15 Unique 2.27, 3.06 A)
&rst
ixpk= 823, nxpk= 15, iat= -1,1261, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1265,1266,
&end
#
# 0 AMB 15-2:824 81 GLU HN 2.80 (# 824:15 Single Ambig)
&rst
ixpk= 824, nxpk= 15, iat= -1,1261, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1265,1266,1504,
&end
#
# 81 GLU HG+ 81 GLU HN 3.50 (# 825:15 Unique 2.00, 3.27 A)
&rst
ixpk= 825, nxpk= 15, iat= -1,1261, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1268,1269,
&end
#
# 79 VAL HA 81 GLU HN 4.50 (# 826:15 Unique 3.02, 3.22 A)
&rst
ixpk= 826, nxpk= 15, iat=1236,1261, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 SER HA 81 GLU HN 3.50 (# 827:15 Unique 2.72, 3.12 A)
&rst
ixpk= 827, nxpk= 15, iat=1252,1261, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 81 GLU HA 81 GLU HN 2.80 (# 828:15 Unique 2.87, 2.90 A)
&rst
ixpk= 828, nxpk= 15, iat=1263,1261, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:829 81 GLU HN 4.50 (# 829:15 Single Ambig)
&rst
ixpk= 829, nxpk= 15, iat= -1,1261, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1276,1234,
&end
#
# 80 SER HN 81 GLU HN 2.80 (# 830:15 Unique 2.63, 2.77 A)
&rst
ixpk= 830, nxpk= 15, iat=1250,1261, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 96 VAL HN 81 GLU HN 4.50 (# 831:15 Unique 2.84, 3.37 A)
&rst
ixpk= 831, nxpk= 15, iat=1500,1261, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 THR HA 81 GLU HN 5.50 (# 832:15 Unique 4.27, 4.92 A)
&rst
ixpk= 832, nxpk= 15, iat=1488,1261, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 LEU HB- 99 LEU HN 3.50 (# 833:15 Unique 2.47, 2.68 A)
&rst
ixpk= 833, nxpk= 15, iat= -1,1538, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1542,1543,
&end
#
# 98 GLU HA 99 LEU HN 2.80 (# 834:15 Unique 2.18, 2.24 A)
&rst
ixpk= 834, nxpk= 15, iat=1525,1538, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:835 81 GLU HN 4.50 (# 835:15 Single Ambig)
&rst
ixpk= 835, nxpk= 15, iat= -1,1261, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
igr1=1216,1217,1216,1217,1222,1223,1222,1223,1195,1196,
1195,1196,1280,1281,
&end
#
# 0 AMB 15-2:836 81 GLU HN 4.50 (# 836:15 Single Ambig)
&rst
ixpk= 836, nxpk= 15, iat= -1,1261, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1254,1255,1214,
&end
#
# 28 MET HB+ 28 MET HN 4.50 (# 837:15 Unique 2.09, 3.03 A)
&rst
ixpk= 837, nxpk= 15, iat= -1, 417, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 421, 422,
&end
#
# 0 AMB 15-2:838 28 MET HN 2.80 (# 838:15 Single Ambig)
&rst
ixpk= 838, nxpk= 15, iat= -1, 417, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 419, 384,
&end
#
# 0 AMB 15-2:839 99 LEU HN 5.50 (# 839:15 Single Ambig)
&rst
ixpk= 839, nxpk= 15, iat= -1,1538, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1559,1596,1597,1596,1597,1578,
&end
#
# 28 MET HB- 28 MET HN 3.50 (# 840:15 Unique 2.09, 3.03 A)
&rst
ixpk= 840, nxpk= 15, iat= -1, 417, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 421, 422,
&end
#
# 0 AMB 15-2:841 28 MET HN 4.50 (# 841:15 Single Ambig)
&rst
ixpk= 841, nxpk= 15, iat= -1, 417, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 410, 411, 410, 411,
&end
#
# 0 AMB 15-2:842 99 LEU HN 5.50 (# 842:15 Single Ambig)
&rst
ixpk= 842, nxpk= 15, iat= -1,1538, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1620,1569,
&end
#
# 0 AMB 15-2:843 27 SER HN 4.50 (# 843:15 Single Ambig)
&rst
ixpk= 843, nxpk= 15, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 421, 422, 352, 353, 354,
&end
#
# 0 AMB 15-2:844 27 SER HN 2.80 (# 844:15 Single Ambig)
&rst
ixpk= 844, nxpk= 15, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 410, 411, 410, 411,
&end
#
# 0 AMB 15-2:845 27 SER HN 2.80 (# 845:15 Single Ambig)
&rst
ixpk= 845, nxpk= 15, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 408, 384,
&end
#
# 0 AMB 15-2:846 27 SER HN 3.50 (# 846:15 Single Ambig)
&rst
ixpk= 846, nxpk= 15, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 386, 387, 386, 387,
&end
#
# 87 LEU HG 87 LEU HN 4.50 (# 847:15 Unique 2.08, 2.97 A)
&rst
ixpk= 847, nxpk= 15, iat=1367,1360, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 87 LEU MDX 87 LEU HN 5.50 (# 848:15 Unique 1.73, 4.27 A)
&rst
ixpk= 848, nxpk= 15, iat= -1,1360, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1369,1370,1371,1373,1374,1375,
&end
#
# 0 AMB 15-2:849 87 LEU HN 5.50 (# 849:15 Single Ambig)
&rst
ixpk= 849, nxpk= 15, iat= -1,1360, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1435,1324,
&end
#
# 0 AMB 15-2:850 87 LEU HN 4.50 (# 850:15 Single Ambig)
&rst
ixpk= 850, nxpk= 15, iat= -1,1360, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1414, 744, 748,
&end
#
# 86 GLN HA 87 LEU HN 2.80 (# 851:15 Unique 2.19, 2.24 A)
&rst
ixpk= 851, nxpk= 15, iat=1345,1360, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 87 LEU HB+ 87 LEU HN 3.50 (# 853:15 Unique 2.66, 3.54 A)
&rst
ixpk= 853, nxpk= 15, iat= -1,1360, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1364,1365,
&end
#
# 91 THR HA 87 LEU HN 5.50 (# 854:15 Unique 2.41, 2.96 A)
&rst
ixpk= 854, nxpk= 15, iat=1423,1360, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:855 87 LEU HN 3.50 (# 855:15 Single Ambig)
&rst
ixpk= 855, nxpk= 15, iat= -1,1360, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1364,1365,1439,1440,
&end
#
# 86 GLN HB+ 87 LEU HN 4.50 (# 856:15 Unique 3.87, 4.36 A)
&rst
ixpk= 856, nxpk= 15, iat= -1,1360, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1347,1348,
&end
#
# 118 MET HB+ 115 SER HN 4.50 (# 857:15 Unique 3.07, 4.70 A)
&rst
ixpk= 857, nxpk= 15, iat= -1,1773, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1816,1817,
&end
#
# 0 AMB 15-2:858 87 LEU HN 4.50 (# 858:15 Single Ambig)
&rst
ixpk= 858, nxpk= 15, iat= -1,1360, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1362,1326,
&end
#
# 115 SER HB- 115 SER HN 2.80 (# 859:15 Unique 2.49, 3.10 A)
&rst
ixpk= 859, nxpk= 15, iat= -1,1773, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1777,1778,
&end
#
# 115 SER HB+ 115 SER HN 4.50 (# 860:15 Unique 2.49, 3.10 A)
&rst
ixpk= 860, nxpk= 15, iat= -1,1773, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1777,1778,
&end
#
# 0 AMB 15-2:861 7 GLY HN 4.50 (# 861:15 Single Ambig)
&rst
ixpk= 861, nxpk= 15, iat= -1, 94, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1095, 101,
&end
#
# 6 ALA HN 7 GLY HN 5.50 (# 863:15 Unique 4.36, 4.49 A)
&rst
ixpk= 863, nxpk= 15, iat= 84, 94, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:864 7 GLY HN 4.50 (# 864:15 Single Ambig)
&rst
ixpk= 864, nxpk= 15, iat= -1, 94, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1121,1122,1123,1125,1126,1127,1121,1122,1123,1125,
1126,1127,
&end
#
# 6 ALA MB 7 GLY HN 3.50 (# 865:15 Unique 2.32, 3.80 A)
&rst
ixpk= 865, nxpk= 15, iat= -1, 94, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 88, 89, 90,
&end
#
# 7 GLY HA- 7 GLY HN 4.50 (# 866:15 Unique 2.28, 2.66 A)
&rst
ixpk= 866, nxpk= 15, iat= -1, 94, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 96, 97,
&end
#
# 6 ALA HA 7 GLY HN 2.80 (# 867:15 Unique 2.14, 2.23 A)
&rst
ixpk= 867, nxpk= 15, iat= 86, 94, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 73 LEU HA 7 GLY HN 5.50 (# 868:15 Unique 3.63, 4.29 A)
&rst
ixpk= 868, nxpk= 15, iat=1114, 94, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 GLY HA+ 7 GLY HN 3.50 (# 869:15 Unique 2.28, 2.66 A)
&rst
ixpk= 869, nxpk= 15, iat= -1, 94, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 96, 97,
&end
#
# 0 AMB 15-2:870 0 AMB 15-1:870 2.80 (# 870:15 Double Ambig)
&rst
ixpk= 870, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1= 249, 250, 595, 596, 595, 596, 246, 247,
igr2= 254, 255, 254, 255, 254, 255, 254, 255,
&end
#
# 0 AMB 15-2:871 0 AMB 15-1:871 4.50 (# 871:15 Double Ambig)
&rst
ixpk= 871, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 625, 626, 306, 307,
igr2= 254, 255, 254, 255,
&end
#
# 114 LEU HB+ 115 SER HN 4.50 (# 872:15 Unique 2.44, 4.16 A)
&rst
ixpk= 872, nxpk= 15, iat= -1,1773, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1758,1759,
&end
#
# 40 VAL MGY 17 GLN HE2+ 4.50 (# 873:15 Unique 3.20, 6.56 A)
&rst
ixpk= 873, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 254, 255,
&end
#
# 0 AMB 15-2:874 0 AMB 15-1:874 2.80 (# 874:15 Double Ambig)
&rst
ixpk= 874, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 249, 250, 598, 599, 609,
igr2= 254, 255, 254, 255, 254, 255,
&end
#
# 41 TYR HA 17 GLN HE2+ 5.50 (# 875:15 Unique 2.55, 3.38 A)
&rst
ixpk= 875, nxpk= 15, iat= 623, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 254, 255,
&end
#
# 24 ALA HN 25 ARG HN 3.50 (# 876:15 Unique 2.55, 2.65 A)
&rst
ixpk= 876, nxpk= 15, iat= 348, 358, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 25 ARG HB+ 25 ARG HN 2.80 (# 877:15 Unique 2.11, 2.62 A)
&rst
ixpk= 877, nxpk= 15, iat= -1, 358, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 362, 363,
&end
#
# 0 AMB 15-2:878 25 ARG HN 2.80 (# 878:15 Single Ambig)
&rst
ixpk= 878, nxpk= 15, iat= -1, 358, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 352, 353, 354, 365, 366,
&end
#
# 0 AMB 15-2:879 25 ARG HN 2.80 (# 879:15 Single Ambig)
&rst
ixpk= 879, nxpk= 15, iat= -1, 358, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 360, 316,
&end
#
# 154 PHE HB- 154 PHE HN 4.50 (# 880:15 Unique 2.37, 2.98 A)
&rst
ixpk= 880, nxpk= 15, iat= -1,2368, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2372,2373,
&end
#
# 154 PHE HB+ 154 PHE HN 5.50 (# 881:15 Unique 2.37, 2.98 A)
&rst
ixpk= 881, nxpk= 15, iat= -1,2368, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2372,2373,
&end
#
# 0 AMB 15-2:882 25 ARG HN 5.50 (# 882:15 Single Ambig)
&rst
ixpk= 882, nxpk= 15, iat= -1, 358, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369, 368, 369,
&end
#
# 154 PHE HA 154 PHE HN 4.50 (# 883:15 Unique 2.79, 2.90 A)
&rst
ixpk= 883, nxpk= 15, iat=2370,2368, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:884 117 SER HN 4.50 (# 884:15 Single Ambig)
&rst
ixpk= 884, nxpk= 15, iat= -1,1801, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1805,1806,1777,1778,
&end
#
# 0 AMB 15-2:885 0 AMB 15-1:885 5.50 (# 885:15 Double Ambig)
&rst
ixpk= 885, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.21, r4= 9.96,
igr1= 318, 319, 318, 319, 424, 425, 424, 425, 318, 319,
333,
igr2= 382, 358,
&end
#
# 153 LEU HA 154 PHE HN 4.50 (# 886:15 Unique 2.19, 2.38 A)
&rst
ixpk= 886, nxpk= 15, iat=2351,2368, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:887 117 SER HN 5.50 (# 887:15 Single Ambig)
&rst
ixpk= 887, nxpk= 15, iat= -1,1801, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1788,1789,1788,1789,
&end
#
# 117 SER HB+ 117 SER HN 4.50 (# 888:15 Unique 2.52, 3.13 A)
&rst
ixpk= 888, nxpk= 15, iat= -1,1801, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1805,1806,
&end
#
# 117 SER HA 117 SER HN 3.50 (# 889:15 Unique 2.24, 2.85 A)
&rst
ixpk= 889, nxpk= 15, iat=1803,1801, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 MET HN 117 SER HN 4.50 (# 890:15 Unique 2.37, 2.74 A)
&rst
ixpk= 890, nxpk= 15, iat=1812,1801, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:891 26 ARG HN 5.50 (# 891:15 Single Ambig)
&rst
ixpk= 891, nxpk= 15, iat= -1, 382, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 392, 393, 392, 393,
&end
#
# 23 ILE HA 26 ARG HN 4.50 (# 893:15 Unique 2.86, 3.58 A)
&rst
ixpk= 893, nxpk= 15, iat= 331, 382, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:894 26 ARG HN 3.50 (# 894:15 Single Ambig)
&rst
ixpk= 894, nxpk= 15, iat= -1, 382, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 389, 390, 389, 390, 365, 366, 428, 429, 430,
&end
#
# 0 AMB 15-2:895 153 LEU HN 3.50 (# 895:15 Single Ambig)
&rst
ixpk= 895, nxpk= 15, iat= -1,2349, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=2353,2354,2334,2335,2337,
&end
#
# 0 AMB 15-2:896 0 AMB 15-1:896 4.50 (# 896:15 Double Ambig)
&rst
ixpk= 896, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1786,2017,1996,
igr2=1801,2056,
&end
#
# 26 ARG HA 26 ARG HN 3.50 (# 900:15 Unique 2.17, 2.61 A)
&rst
ixpk= 900, nxpk= 15, iat= 384, 382, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:901 153 LEU HN 2.80 (# 901:15 Single Ambig)
&rst
ixpk= 901, nxpk= 15, iat= -1,2349, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2332,2351,
&end
#
# 0 AMB 15-2:903 153 LEU HN 5.50 (# 903:15 Single Ambig)
&rst
ixpk= 903, nxpk= 15, iat= -1,2349, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=2339,2340,2341,2343,2344,2345,2358,2359,2360,2362,
2363,2364,2358,2359,2360,2362,2363,2364,
&end
#
# 0 AMB 15-2:904 26 ARG HN 3.50 (# 904:15 Single Ambig)
&rst
ixpk= 904, nxpk= 15, iat= -1, 382, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 316, 360,
&end
#
# 0 AMB 15-2:905 152 LEU HN 3.50 (# 905:15 Single Ambig)
&rst
ixpk= 905, nxpk= 15, iat= -1,2330, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2322,2332,
&end
#
# 0 AMB 15-2:907 0 AMB 15-1:907 5.50 (# 907:15 Double Ambig)
&rst
ixpk= 907, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2324,2325,2326,1823,1824,1825,
igr2=2330,1874,
&end
#
# 0 AMB 15-2:909 152 LEU HN 4.50 (# 909:15 Single Ambig)
&rst
ixpk= 909, nxpk= 15, iat= -1,2330, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2334,2335,2303,2304,
&end
#
# 0 AMB 15-2:910 152 LEU HN 5.50 (# 910:15 Single Ambig)
&rst
ixpk= 910, nxpk= 15, iat= -1,2330, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2334,2335,2337,
&end
#
# 0 AMB 15-2:915 134 ILE HN 5.50 (# 915:15 Single Ambig)
&rst
ixpk= 915, nxpk= 15, iat= -1,2056, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=2079,2080,2079,2080,2009,2010,2011,2022,2023,
&end
#
# 0 AMB 15-2:916 122 GLU HN 5.50 (# 916:15 Single Ambig)
&rst
ixpk= 916, nxpk= 15, iat= -1,1874, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1842,1891,1892,
&end
#
# 134 ILE HA 134 ILE HN 5.50 (# 917:15 Unique 2.92, 2.97 A)
&rst
ixpk= 917, nxpk= 15, iat=2058,2056, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 134 ILE MG2 134 ILE HN 2.80 (# 918:15 Unique 2.34, 3.46 A)
&rst
ixpk= 918, nxpk= 15, iat= -1,2056, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2062,2063,2064,
&end
#
# 133 MET HB+ 134 ILE HN 4.50 (# 919:15 Unique 2.68, 3.87 A)
&rst
ixpk= 919, nxpk= 15, iat= -1,2056, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2043,2044,
&end
#
# 0 AMB 15-2:920 134 ILE HN 4.50 (# 920:15 Single Ambig)
&rst
ixpk= 920, nxpk= 15, iat= -1,2056, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2041,2007,
&end
#
# 135 LEU HN 134 ILE HN 4.50 (# 921:15 Unique 2.15, 2.36 A)
&rst
ixpk= 921, nxpk= 15, iat=2075,2056, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:922 0 AMB 15-1:922 2.80 (# 922:15 Double Ambig)
&rst
ixpk= 922, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1863,1864,2300,2301,2300,2301,
igr2=1874,2330,
&end
#
# 0 AMB 15-2:923 0 AMB 15-1:923 2.80 (# 923:15 Double Ambig)
&rst
ixpk= 923, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1859, 348,
igr2=1874, 329,
&end
#
# 122 GLU HA 122 GLU HN 2.80 (# 924:15 Unique 2.86, 2.89 A)
&rst
ixpk= 924, nxpk= 15, iat=1876,1874, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 123 GLY HN 122 GLU HN 3.50 (# 925:15 Unique 2.43, 2.64 A)
&rst
ixpk= 925, nxpk= 15, iat=1889,1874, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 134 ILE HG1- 134 ILE HN 3.50 (# 926:15 Unique 2.22, 2.89 A)
&rst
ixpk= 926, nxpk= 15, iat= -1,2056, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2066,2067,
&end
#
# 133 MET HN 134 ILE HN 5.50 (# 927:15 Unique 2.87, 3.04 A)
&rst
ixpk= 927, nxpk= 15, iat=2039,2056, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 119 SER HN 122 GLU HN 5.50 (# 928:15 Unique 2.87, 3.46 A)
&rst
ixpk= 928, nxpk= 15, iat=1829,1874, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:929 122 GLU HN 3.50 (# 929:15 Single Ambig)
&rst
ixpk= 929, nxpk= 15, iat= -1,1874, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1863,1864,1903,1904,
&end
#
# 134 ILE HG1+ 134 ILE HN 4.50 (# 930:15 Unique 2.22, 2.89 A)
&rst
ixpk= 930, nxpk= 15, iat= -1,2056, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2066,2067,
&end
#
# 119 SER HB+ 122 GLU HN 5.50 (# 931:15 Unique 2.91, 3.80 A)
&rst
ixpk= 931, nxpk= 15, iat= -1,1874, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1833,1834,
&end
#
# 123 GLY HA+ 122 GLU HN 5.50 (# 932:15 Unique 4.65, 5.08 A)
&rst
ixpk= 932, nxpk= 15, iat= -1,1874, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1891,1892,
&end
#
# 0 AMB 15-2:933 0 AMB 15-1:933 2.80 (# 933:15 Double Ambig)
&rst
ixpk= 933, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1=1881,1882,1878,1879, 333,
igr2=1874, 329,
&end
#
# 0 AMB 15-2:934 0 AMB 15-1:934 5.50 (# 934:15 Double Ambig)
&rst
ixpk= 934, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1896,2296,
igr2=1874,2330,
&end
#
# 102 VAL MGX 19 ALA HN 5.50 (# 935:15 Unique 4.10, 6.33 A)
&rst
ixpk= 935, nxpk= 15, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1582,1583,1584,1586,1587,1588,
&end
#
# 0 AMB 15-2:936 0 AMB 15-1:936 5.50 (# 936:15 Double Ambig)
&rst
ixpk= 936, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 211,2390,2391,
igr2= 269,2349,
&end
#
# 20 PHE HD 19 ALA HN 5.50 (# 937:15 Unique 5.12, 6.57 A)
&rst
ixpk= 937, nxpk= 15, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 287, 295,
&end
#
# 152 LEU MDX 153 LEU HN 5.50 (# 938:15 Unique 2.00, 4.84 A)
&rst
ixpk= 938, nxpk= 15, iat= -1,2349, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2339,2340,2341,2343,2344,2345,
&end
#
# 19 ALA MB 19 ALA HN 2.80 (# 939:15 Unique 2.46, 2.89 A)
&rst
ixpk= 939, nxpk= 15, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 273, 274, 275,
&end
#
# 0 AMB 15-2:940 0 AMB 15-1:940 4.50 (# 940:15 Double Ambig)
&rst
ixpk= 940, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 228,2372,2373,
igr2= 269,2349,
&end
#
# 0 AMB 15-2:941 0 AMB 15-1:941 2.80 (# 941:15 Double Ambig)
&rst
ixpk= 941, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2332, 271,2322,
igr2=2349, 269,
&end
#
# 18 ALA HN 19 ALA HN 3.50 (# 942:15 Unique 2.79, 2.83 A)
&rst
ixpk= 942, nxpk= 15, iat= 259, 269, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 20 PHE HN 19 ALA HN 2.80 (# 943:15 Unique 2.69, 2.79 A)
&rst
ixpk= 943, nxpk= 15, iat= 279, 269, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 41 TYR HN 40 VAL HN 5.50 (# 944:15 Unique 3.96, 4.41 A)
&rst
ixpk= 944, nxpk= 15, iat= 621, 605, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 GLU HG- 23 ILE HN 3.50 (# 945:15 Unique 2.53, 3.59 A)
&rst
ixpk= 945, nxpk= 15, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 321, 322,
&end
#
# 0 AMB 15-2:946 0 AMB 15-1:946 2.80 (# 946:15 Double Ambig)
&rst
ixpk= 946, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1859, 348,
igr2=1874, 329,
&end
#
# 23 ILE HG1- 23 ILE HN 2.80 (# 947:15 Unique 2.14, 2.96 A)
&rst
ixpk= 947, nxpk= 15, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 339, 340,
&end
#
# 22 GLU HG+ 23 ILE HN 5.50 (# 948:15 Unique 2.53, 3.59 A)
&rst
ixpk= 948, nxpk= 15, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 321, 322,
&end
#
# 23 ILE HA 23 ILE HN 3.50 (# 949:15 Unique 2.80, 2.84 A)
&rst
ixpk= 949, nxpk= 15, iat= 331, 329, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:950 23 ILE HN 3.50 (# 950:15 Single Ambig)
&rst
ixpk= 950, nxpk= 15, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 316, 271,
&end
#
# 0 AMB 15-2:951 35 HIS HN 5.50 (# 951:15 Single Ambig)
&rst
ixpk= 951, nxpk= 15, iat= -1, 532, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 559, 484,
&end
#
# 40 VAL MGX 40 VAL HN 2.80 (# 952:15 Unique 2.16, 3.71 A)
&rst
ixpk= 952, nxpk= 15, iat= -1, 605, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 0 AMB 15-2:953 40 VAL HN 3.50 (# 953:15 Single Ambig)
&rst
ixpk= 953, nxpk= 15, iat= -1, 605, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 595, 596, 595, 596, 556, 557,
&end
#
# 0 AMB 15-2:954 0 AMB 15-1:954 2.80 (# 954:15 Double Ambig)
&rst
ixpk= 954, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 318, 319, 318, 319,1881,1882,1878,1879, 333,
igr2= 329,1874,
&end
#
# 23 ILE HG1+ 23 ILE HN 3.50 (# 956:15 Unique 2.14, 2.96 A)
&rst
ixpk= 956, nxpk= 15, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 339, 340,
&end
#
# 20 PHE HA 23 ILE HN 4.50 (# 957:15 Unique 2.81, 3.10 A)
&rst
ixpk= 957, nxpk= 15, iat= 281, 329, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:958 40 VAL HN 5.50 (# 958:15 Single Ambig)
&rst
ixpk= 958, nxpk= 15, iat= -1, 605, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 306, 307, 902, 903,
&end
#
# 39 PRO HB- 40 VAL HN 3.50 (# 959:15 Unique 2.69, 3.45 A)
&rst
ixpk= 959, nxpk= 15, iat= -1, 605, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 598, 599,
&end
#
# 0 AMB 15-2:960 40 VAL HN 5.50 (# 960:15 Single Ambig)
&rst
ixpk= 960, nxpk= 15, iat= -1, 605, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 306, 307, 625, 626, 902, 903,
&end
#
# 23 ILE MD1 23 ILE HN 3.50 (# 961:15 Unique 3.33, 4.07 A)
&rst
ixpk= 961, nxpk= 15, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 342, 343, 344,
&end
#
# 40 VAL MGY 40 VAL HN 3.50 (# 963:15 Unique 2.16, 3.71 A)
&rst
ixpk= 963, nxpk= 15, iat= -1, 605, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 23 ILE MG2 23 ILE HN 4.50 (# 964:15 Unique 4.34, 4.53 A)
&rst
ixpk= 964, nxpk= 15, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 335, 336, 337,
&end
#
# 20 PHE HD 23 ILE HN 5.50 (# 965:15 Unique 4.63, 5.97 A)
&rst
ixpk= 965, nxpk= 15, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 287, 295,
&end
#
# 99 LEU MDY 103 SER HN 5.50 (# 966:15 Unique 3.61, 6.26 A)
&rst
ixpk= 966, nxpk= 15, iat= -1,1592, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1547,1548,1549,1551,1552,1553,
&end
#
# 99 LEU MDX 103 SER HN 5.50 (# 967:15 Unique 3.61, 6.26 A)
&rst
ixpk= 967, nxpk= 15, iat= -1,1592, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1547,1548,1549,1551,1552,1553,
&end
#
# 35 HIS HA 35 HIS HN 3.50 (# 968:15 Unique 2.85, 2.93 A)
&rst
ixpk= 968, nxpk= 15, iat= 534, 532, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 99 LEU HB+ 103 SER HN 4.50 (# 969:15 Unique 2.21, 3.97 A)
&rst
ixpk= 969, nxpk= 15, iat= -1,1592, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1542,1543,
&end
#
# 0 AMB 15-2:970 103 SER HN 3.50 (# 970:15 Single Ambig)
&rst
ixpk= 970, nxpk= 15, iat= -1,1592, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1596,1597,1596,1597,1578,1559,
&end
#
# 102 VAL MGX 103 SER HN 3.50 (# 971:15 Unique 2.19, 3.95 A)
&rst
ixpk= 971, nxpk= 15, iat= -1,1592, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1582,1583,1584,1586,1587,1588,
&end
#
# 102 VAL MGY 103 SER HN 3.50 (# 972:15 Unique 2.19, 3.95 A)
&rst
ixpk= 972, nxpk= 15, iat= -1,1592, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1582,1583,1584,1586,1587,1588,
&end
#
# 99 LEU HB- 103 SER HN 4.50 (# 973:15 Unique 2.21, 3.97 A)
&rst
ixpk= 973, nxpk= 15, iat= -1,1592, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1542,1543,
&end
#
# 102 VAL HB 103 SER HN 2.80 (# 974:15 Unique 1.81, 2.11 A)
&rst
ixpk= 974, nxpk= 15, iat=1580,1592, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:976 125 ARG HN 4.50 (# 976:15 Single Ambig)
&rst
ixpk= 976, nxpk= 15, iat= -1,1913, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1903,1904,1900,1901,
&end
#
# 102 VAL HN 103 SER HN 3.50 (# 977:15 Unique 1.87, 3.17 A)
&rst
ixpk= 977, nxpk= 15, iat=1576,1592, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:978 35 HIS HN 5.50 (# 978:15 Single Ambig)
&rst
ixpk= 978, nxpk= 15, iat= -1, 532, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 522, 523, 524, 526, 527, 528, 522, 523, 524, 526,
527, 528,
&end
#
# 0 AMB 15-2:979 125 ARG HN 3.50 (# 979:15 Single Ambig)
&rst
ixpk= 979, nxpk= 15, iat= -1,1913, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1920,1921,1920,1921,
&end
#
# 0 AMB 15-2:980 125 ARG HN 2.80 (# 980:15 Single Ambig)
&rst
ixpk= 980, nxpk= 15, iat= -1,1913, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1917,1918,1917,1918,
&end
#
# 124 GLN HN 125 ARG HN 4.50 (# 981:15 Unique 2.39, 2.71 A)
&rst
ixpk= 981, nxpk= 15, iat=1896,1913, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 125 ARG HA 125 ARG HN 4.50 (# 982:15 Unique 2.79, 2.84 A)
&rst
ixpk= 982, nxpk= 15, iat=1915,1913, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 122 GLU HA 125 ARG HN 5.50 (# 983:15 Unique 3.09, 3.46 A)
&rst
ixpk= 983, nxpk= 15, iat=1876,1913, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:984 125 ARG HN 4.50 (# 984:15 Single Ambig)
&rst
ixpk= 984, nxpk= 15, iat= -1,1913, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1937,1889,
&end
#
# 0 AMB 15-2:985 136 SER HN 5.50 (# 985:15 Single Ambig)
&rst
ixpk= 985, nxpk= 15, iat= -1,2094, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=2084,2085,2086,2088,2089,2090,2114,2115,2116,2118,
2119,2120,2114,2115,2116,2118,2119,2120,2112,
&end
#
# 0 AMB 15-2:986 136 SER HN 5.50 (# 986:15 Single Ambig)
&rst
ixpk= 986, nxpk= 15, iat= -1,2094, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2109,2110,2066,2067,
&end
#
# 0 AMB 15-2:987 136 SER HN 4.50 (# 987:15 Single Ambig)
&rst
ixpk= 987, nxpk= 15, iat= -1,2094, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2079,2080,2079,2080,
&end
#
# 0 AMB 15-2:988 136 SER HN 5.50 (# 988:15 Single Ambig)
&rst
ixpk= 988, nxpk= 15, iat= -1,2094, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2077,2017,
&end
#
# 0 AMB 15-2:989 136 SER HN 3.50 (# 989:15 Single Ambig)
&rst
ixpk= 989, nxpk= 15, iat= -1,2094, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2098,2099,2058,
&end
#
# 137 LEU HN 136 SER HN 4.50 (# 990:15 Unique 1.91, 2.88 A)
&rst
ixpk= 990, nxpk= 15, iat=2105,2094, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 135 LEU HN 136 SER HN 3.50 (# 991:15 Unique 1.93, 2.49 A)
&rst
ixpk= 991, nxpk= 15, iat=2075,2094, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 136 SER HA 136 SER HN 2.80 (# 992:15 Unique 2.17, 2.46 A)
&rst
ixpk= 992, nxpk= 15, iat=2096,2094, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:993 136 SER HN 3.50 (# 993:15 Single Ambig)
&rst
ixpk= 993, nxpk= 15, iat= -1,2094, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2125,2126,2098,2099,
&end
#
# 19 ALA MB 22 GLU HN 5.50 (# 994:15 Unique 5.11, 5.54 A)
&rst
ixpk= 994, nxpk= 15, iat= -1, 314, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 273, 274, 275,
&end
#
# 50 GLY HA+ 51 GLN HN 4.50 (# 995:15 Unique 2.98, 3.35 A)
&rst
ixpk= 995, nxpk= 15, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 771, 772,
&end
#
# 0 AMB 15-2:996 22 GLU HN 4.50 (# 996:15 Single Ambig)
&rst
ixpk= 996, nxpk= 15, iat= -1, 314, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 339, 340, 352, 353, 354,
&end
#
# 0 AMB 15-2:997 22 GLU HN 5.50 (# 997:15 Single Ambig)
&rst
ixpk= 997, nxpk= 15, iat= -1, 314, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 611, 612, 613, 615, 616, 617, 335, 336, 337,
&end
#
# 0 AMB 15-2:998 51 GLN HN 5.50 (# 998:15 Single Ambig)
&rst
ixpk= 998, nxpk= 15, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 761, 762, 758, 759,
&end
#
# 51 GLN HG- 51 GLN HN 4.50 (# 999:15 Unique 2.11, 3.33 A)
&rst
ixpk= 999, nxpk= 15, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 783, 784,
&end
#
# 0 AMB 15-2:1000 51 GLN HN 2.80 (# 1000:15 Single Ambig)
&rst
ixpk= 1000, nxpk= 15, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 783, 784, 780, 781,
&end
#
# 50 GLY HA- 51 GLN HN 4.50 (# 1001:15 Unique 2.98, 3.35 A)
&rst
ixpk= 1001, nxpk= 15, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 771, 772,
&end
#
# 50 GLY HN 51 GLN HN 3.50 (# 1002:15 Unique 2.63, 2.77 A)
&rst
ixpk= 1002, nxpk= 15, iat= 769, 776, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 PHE HN 51 GLN HN 3.50 (# 1003:15 Unique 2.45, 3.17 A)
&rst
ixpk= 1003, nxpk= 15, iat= 734, 776, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1004 22 GLU HN 5.50 (# 1004:15 Single Ambig)
&rst
ixpk= 1004, nxpk= 15, iat= -1, 314, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 342, 343, 344, 611, 612, 613, 615, 616, 617,
&end
#
# 21 GLU HB- 22 GLU HN 3.50 (# 1005:15 Unique 2.76, 3.44 A)
&rst
ixpk= 1005, nxpk= 15, iat= -1, 314, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 303, 304,
&end
#
# 0 AMB 15-2:1006 136 SER HN 5.50 (# 1006:15 Single Ambig)
&rst
ixpk= 1006, nxpk= 15, iat= -1,2094, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2109,2110,1386,1387,
&end
#
# 0 AMB 15-2:1007 51 GLN HN 5.50 (# 1007:15 Single Ambig)
&rst
ixpk= 1007, nxpk= 15, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1015,1016,1017,1019,1020,
&end
#
# 0 AMB 15-2:1008 51 GLN HN 3.50 (# 1008:15 Single Ambig)
&rst
ixpk= 1008, nxpk= 15, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 717, 778,
&end
#
# 0 AMB 15-2:1009 51 GLN HN 5.50 (# 1009:15 Single Ambig)
&rst
ixpk= 1009, nxpk= 15, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 788, 789, 742, 750,
&end
#
# 51 GLN HB- 51 GLN HN 3.50 (# 1010:15 Unique 2.39, 3.24 A)
&rst
ixpk= 1010, nxpk= 15, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 780, 781,
&end
#
# 0 AMB 15-2:1011 22 GLU HN 2.80 (# 1011:15 Single Ambig)
&rst
ixpk= 1011, nxpk= 15, iat= -1, 314, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 318, 319, 318, 319,
&end
#
# 0 AMB 15-2:1012 22 GLU HN 2.80 (# 1012:15 Single Ambig)
&rst
ixpk= 1012, nxpk= 15, iat= -1, 314, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 316, 271, 261,
&end
#
# 0 AMB 15-2:1013 127 THR HN 4.50 (# 1013:15 Single Ambig)
&rst
ixpk= 1013, nxpk= 15, iat= -1,1956, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1917,1918,1917,1918, 957, 958,
&end
#
# 0 AMB 15-2:1014 22 GLU HN 3.50 (# 1014:15 Single Ambig)
&rst
ixpk= 1014, nxpk= 15, iat= -1, 314, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 321, 322, 303, 304,
&end
#
# 21 GLU HN 22 GLU HN 2.80 (# 1015:15 Unique 2.72, 2.78 A)
&rst
ixpk= 1015, nxpk= 15, iat= 299, 314, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 47 LEU MDY 51 GLN HN 5.50 (# 1016:15 Unique 3.31, 5.37 A)
&rst
ixpk= 1016, nxpk= 15, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 724, 725, 726, 728, 729, 730,
&end
#
# 21 GLU HG+ 22 GLU HN 5.50 (# 1017:15 Unique 4.18, 4.88 A)
&rst
ixpk= 1017, nxpk= 15, iat= -1, 314, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 306, 307,
&end
#
# 8 PHE HD 8 PHE HN 2.80 (# 1018:15 Unique 2.28, 3.75 A)
&rst
ixpk= 1018, nxpk= 15, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 109, 117,
&end
#
# 52 TRP HE1 8 PHE HN 5.50 (# 1019:15 Unique 3.26, 5.07 A)
&rst
ixpk= 1019, nxpk= 15, iat= 803, 101, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1020 0 AMB 15-1:1020 2.80 (# 1020:15 Double Ambig)
&rst
ixpk= 1020, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1= 96, 97,1939,1064,1065,
igr2= 101,1956,
&end
#
# 132 ARG HN 131 ALA HN 4.50 (# 1021:15 Unique 2.52, 2.75 A)
&rst
ixpk= 1021, nxpk= 15, iat=2015,2005, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 8 PHE HA 8 PHE HN 2.80 (# 1022:15 Unique 2.79, 2.91 A)
&rst
ixpk= 1022, nxpk= 15, iat= 103, 101, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:1023 8 PHE HN 3.50 (# 1023:15 Single Ambig)
&rst
ixpk= 1023, nxpk= 15, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 105, 106,1087,1088,
&end
#
# 8 PHE HB+ 8 PHE HN 2.80 (# 1024:15 Unique 2.44, 3.16 A)
&rst
ixpk= 1024, nxpk= 15, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 105, 106,
&end
#
# 0 AMB 15-2:1025 0 AMB 15-1:1025 5.50 (# 1025:15 Double Ambig)
&rst
ixpk= 1025, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 121,1994,
igr2= 101,1956,
&end
#
# 130 CYS HN 131 ALA HN 4.50 (# 1026:15 Unique 2.58, 2.66 A)
&rst
ixpk= 1026, nxpk= 15, iat=1994,2005, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 131 ALA MB 131 ALA HN 2.80 (# 1027:15 Unique 2.19, 2.88 A)
&rst
ixpk= 1027, nxpk= 15, iat= -1,2005, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2009,2010,2011,
&end
#
# 131 ALA HA 131 ALA HN 4.50 (# 1028:15 Unique 2.80, 2.88 A)
&rst
ixpk= 1028, nxpk= 15, iat=2007,2005, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 128 ASP HA 131 ALA HN 5.50 (# 1029:15 Unique 3.21, 3.50 A)
&rst
ixpk= 1029, nxpk= 15, iat=1972,2005, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 130 CYS HB- 131 ALA HN 5.50 (# 1032:15 Unique 2.53, 3.34 A)
&rst
ixpk= 1032, nxpk= 15, iat= -1,2005, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1998,1999,
&end
#
# 0 AMB 15-2:1036 131 ALA HN 5.50 (# 1036:15 Single Ambig)
&rst
ixpk= 1036, nxpk= 15, iat= -1,2005, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2062,2063,2064,1723,1724,1725,
&end
#
# 133 MET HN 131 ALA HN 5.50 (# 1037:15 Unique 4.00, 4.14 A)
&rst
ixpk= 1037, nxpk= 15, iat=2039,2005, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 130 CYS HB+ 131 ALA HN 4.50 (# 1038:15 Unique 2.53, 3.34 A)
&rst
ixpk= 1038, nxpk= 15, iat= -1,2005, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1998,1999,
&end
#
# 0 AMB 15-2:1039 131 ALA HN 5.50 (# 1039:15 Single Ambig)
&rst
ixpk= 1039, nxpk= 15, iat= -1,2005, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1986,1987,1974,1975,
&end
#
# 0 AMB 15-2:1040 131 ALA HN 4.50 (# 1040:15 Single Ambig)
&rst
ixpk= 1040, nxpk= 15, iat= -1,2005, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1996,2017,
&end
#
# 72 GLN HE2+ 72 GLN HN 5.50 (# 1041:15 Unique 4.42, 5.80 A)
&rst
ixpk= 1041, nxpk= 15, iat= -1,1095, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1107,1108,
&end
#
# 0 AMB 15-2:1042 111 MET HN 4.50 (# 1042:15 Single Ambig)
&rst
ixpk= 1042, nxpk= 15, iat= -1,1712, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1697,1698,1697,1698,
&end
#
# 0 AMB 15-2:1043 72 GLN HN 5.50 (# 1043:15 Single Ambig)
&rst
ixpk= 1043, nxpk= 15, iat= -1,1095, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 96, 97,1064,1065,
&end
#
# 0 AMB 15-2:1044 72 GLN HN 2.80 (# 1044:15 Single Ambig)
&rst
ixpk= 1044, nxpk= 15, iat= -1,1095, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1085,1097,
&end
#
# 110 LEU HG 111 MET HN 5.50 (# 1045:15 Unique 3.51, 4.01 A)
&rst
ixpk= 1045, nxpk= 15, iat=1700,1712, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1046 111 MET HN 3.50 (# 1046:15 Single Ambig)
&rst
ixpk= 1046, nxpk= 15, iat= -1,1712, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1716,1717, 957, 958,
&end
#
# 0 AMB 15-2:1047 111 MET HN 2.80 (# 1047:15 Single Ambig)
&rst
ixpk= 1047, nxpk= 15, iat= -1,1712, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1714,1695,1684,
&end
#
# 0 AMB 15-2:1048 127 THR HN 5.50 (# 1048:15 Single Ambig)
&rst
ixpk= 1048, nxpk= 15, iat= -1,1956, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1944, 875, 876, 960,1900,1901,
&end
#
# 0 AMB 15-2:1049 72 GLN HN 2.80 (# 1049:15 Single Ambig)
&rst
ixpk= 1049, nxpk= 15, iat= -1,1095, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1099,1100,1099,1100,1102,1103,
&end
#
# 0 AMB 15-2:1051 72 GLN HN 5.50 (# 1051:15 Single Ambig)
&rst
ixpk= 1051, nxpk= 15, iat= -1,1095, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1087,1088, 105, 106,
&end
#
# 110 LEU HN 111 MET HN 4.50 (# 1052:15 Unique 2.01, 2.27 A)
&rst
ixpk= 1052, nxpk= 15, iat=1693,1712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 71 ASP HN 72 GLN HN 3.50 (# 1055:15 Unique 2.51, 2.94 A)
&rst
ixpk= 1055, nxpk= 15, iat=1083,1095, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1056 0 AMB 15-1:1056 3.50 (# 1056:15 Double Ambig)
&rst
ixpk= 1056, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968, 71, 72, 73,
igr2=1956, 101,
&end
#
# 0 AMB 15-2:1057 127 THR HN 4.50 (# 1057:15 Single Ambig)
&rst
ixpk= 1057, nxpk= 15, iat= -1,1956, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1962,1963,1964, 875, 876,
&end
#
# 126 LEU HB- 127 THR HN 4.50 (# 1058:15 Unique 2.81, 3.49 A)
&rst
ixpk= 1058, nxpk= 15, iat= -1,1956, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1941,1942,
&end
#
# 127 THR HB 127 THR HN 3.50 (# 1059:15 Unique 2.45, 2.64 A)
&rst
ixpk= 1059, nxpk= 15, iat=1960,1956, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 128 ASP HN 127 THR HN 3.50 (# 1061:15 Unique 2.50, 2.63 A)
&rst
ixpk= 1061, nxpk= 15, iat=1970,1956, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 126 LEU HN 127 THR HN 4.50 (# 1062:15 Unique 2.26, 2.33 A)
&rst
ixpk= 1062, nxpk= 15, iat=1937,1956, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1063 111 MET HN 5.50 (# 1063:15 Single Ambig)
&rst
ixpk= 1063, nxpk= 15, iat= -1,1712, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 974, 955,
&end
#
# 41 TYR HD 127 THR HN 5.50 (# 1065:15 Unique 4.04, 6.40 A)
&rst
ixpk= 1065, nxpk= 15, iat= -1,1956, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 629, 638,
&end
#
# 0 AMB 15-2:1066 111 MET HN 5.50 (# 1066:15 Single Ambig)
&rst
ixpk= 1066, nxpk= 15, iat= -1,1712, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1=1702,1703,1704,1706,1707,1708,1702,1703,1704,1706,
1707,1708,1723,1724,1725,
&end
#
# 0 AMB 15-2:1067 0 AMB 15-1:1067 2.80 (# 1067:15 Double Ambig)
&rst
ixpk= 1067, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1= 96, 97,1958,1049,1050,
igr2= 101,1956,
&end
#
# 23 ILE MD1 22 GLU HN 4.50 (# 1075:15 Unique 4.89, 5.73 A)
&rst
ixpk= 1075, nxpk= 15, iat= -1, 314, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 342, 343, 344,
&end
#
# 0 AMB 15-2:1087 0 AMB 15-1:1087 4.50 (# 1087:15 Double Ambig)
&rst
ixpk= 1087, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=2172,2173,2200,2201,
igr2=2177,2178,2177,2178,
&end
#
# 105 TYR HN 104 GLN HN 5.50 (# 1088:15 Unique 4.50, 4.60 A)
&rst
ixpk= 1088, nxpk= 15, iat=1620,1603, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 GLN HA 104 GLN HN 4.50 (# 1092:15 Unique 2.80, 2.92 A)
&rst
ixpk= 1092, nxpk= 15, iat=1605,1603, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1093 104 GLN HN 4.50 (# 1093:15 Single Ambig)
&rst
ixpk= 1093, nxpk= 15, iat= -1,1603, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 78, 79, 80,1178,1179,1180,1182,1183,1184,
&end
#
# 0 AMB 15-2:1094 104 GLN HN 2.80 (# 1094:15 Single Ambig)
&rst
ixpk= 1094, nxpk= 15, iat= -1,1603, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1607,1608,1607,1608,
&end
#
# 0 AMB 15-2:1095 104 GLN HN 2.80 (# 1095:15 Single Ambig)
&rst
ixpk= 1095, nxpk= 15, iat= -1,1603, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1596,1597,1596,1597,
&end
#
# 104 GLN HG+ 104 GLN HN 4.50 (# 1096:15 Unique 2.39, 3.20 A)
&rst
ixpk= 1096, nxpk= 15, iat= -1,1603, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1610,1611,
&end
#
# 104 GLN HG- 104 GLN HN 4.50 (# 1097:15 Unique 2.39, 3.20 A)
&rst
ixpk= 1097, nxpk= 15, iat= -1,1603, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1610,1611,
&end
#
# 0 AMB 15-2:1098 0 AMB 15-1:1098 4.50 (# 1098:15 Double Ambig)
&rst
ixpk= 1098, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1607,1608,1607,1608,
igr2=1615,1616,1615,1616,
&end
#
# 104 GLN HG+ 104 GLN HE2+ 4.50 (# 1099:15 Unique 2.25, 3.23 A)
&rst
ixpk= 1099, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1610,1611,
igr2=1615,1616,
&end
#
# 0 AMB 15-2:1100 0 AMB 15-1:1100 5.50 (# 1100:15 Double Ambig)
&rst
ixpk= 1100, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1=1176,1219,1220,1192,1193,
igr2=1615,1616,1615,1616,1615,1616,
&end
#
# 0 AMB 15-2:1102 0 AMB 15-1:1102 5.50 (# 1102:15 Double Ambig)
&rst
ixpk= 1102, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1=1527,1528,1192,1193,1238,
igr2=1615,1616,1615,1616,1615,1616,
&end
#
# 104 GLN HG- 104 GLN HE2+ 3.50 (# 1103:15 Unique 2.25, 3.23 A)
&rst
ixpk= 1103, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1610,1611,
igr2=1615,1616,
&end
#
# 0 AMB 15-2:1104 0 AMB 15-1:1104 3.50 (# 1104:15 Double Ambig)
&rst
ixpk= 1104, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184, 78, 79, 80,
igr2=1615,1616,1615,1616,1615,1616,
&end
#
# 0 AMB 15-2:1105 0 AMB 15-1:1105 4.50 (# 1105:15 Double Ambig)
&rst
ixpk= 1105, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1188,1212,
igr2=1615,1616,1615,1616,
&end
#
# 96 VAL MGX 104 GLN HE2+ 5.50 (# 1106:15 Unique 4.10, 6.56 A)
&rst
ixpk= 1106, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1506,1507,1508,1510,1511,1512,
igr2=1615,1616,
&end
#
# 0 AMB 15-2:1107 34 LEU HN 3.50 (# 1107:15 Single Ambig)
&rst
ixpk= 1107, nxpk= 15, iat= -1, 513, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 517, 518, 517, 518,
&end
#
# 8 PHE HA 10 THR HN 4.50 (# 1108:15 Unique 3.26, 4.20 A)
&rst
ixpk= 1108, nxpk= 15, iat= 103, 138, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1109 10 THR HN 4.50 (# 1109:15 Single Ambig)
&rst
ixpk= 1109, nxpk= 15, iat= -1, 138, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 142, 96, 97,1064,1065,
&end
#
# 11 SER HN 10 THR HN 5.50 (# 1110:15 Unique 4.17, 4.35 A)
&rst
ixpk= 1110, nxpk= 15, iat= 152, 138, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 10 THR MG2 10 THR HN 3.50 (# 1111:15 Unique 3.02, 4.21 A)
&rst
ixpk= 1111, nxpk= 15, iat= -1, 138, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 144, 145, 146,
&end
#
# 9 GLN HB+ 10 THR HN 5.50 (# 1112:15 Unique 2.51, 3.55 A)
&rst
ixpk= 1112, nxpk= 15, iat= -1, 138, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 125, 126,
&end
#
# 9 GLN HA 10 THR HN 4.50 (# 1113:15 Unique 3.27, 3.47 A)
&rst
ixpk= 1113, nxpk= 15, iat= 123, 138, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 10 THR HA 10 THR HN 3.50 (# 1114:15 Unique 2.80, 2.92 A)
&rst
ixpk= 1114, nxpk= 15, iat= 140, 138, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 9 GLN HB- 10 THR HN 3.50 (# 1115:15 Unique 2.51, 3.55 A)
&rst
ixpk= 1115, nxpk= 15, iat= -1, 138, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 125, 126,
&end
#
# 9 GLN HG- 10 THR HN 5.50 (# 1116:15 Unique 4.22, 5.09 A)
&rst
ixpk= 1116, nxpk= 15, iat= -1, 138, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 128, 129,
&end
#
# 8 PHE HB- 10 THR HN 5.50 (# 1117:15 Unique 2.47, 3.18 A)
&rst
ixpk= 1117, nxpk= 15, iat= -1, 138, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 105, 106,
&end
#
# 8 PHE HB+ 10 THR HN 4.50 (# 1118:15 Unique 2.47, 3.18 A)
&rst
ixpk= 1118, nxpk= 15, iat= -1, 138, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 105, 106,
&end
#
# 9 GLN HN 10 THR HN 3.50 (# 1119:15 Unique 2.33, 2.60 A)
&rst
ixpk= 1119, nxpk= 15, iat= 121, 138, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 52 TRP HZ2 10 THR HN 5.50 (# 1120:15 Unique 4.51, 5.17 A)
&rst
ixpk= 1120, nxpk= 15, iat= 806, 138, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1121 34 LEU HN 5.50 (# 1121:15 Single Ambig)
&rst
ixpk= 1121, nxpk= 15, iat= -1, 513, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 463, 482,
&end
#
# 0 AMB 15-2:1122 34 LEU HN 3.50 (# 1122:15 Single Ambig)
&rst
ixpk= 1122, nxpk= 15, iat= -1, 513, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 522, 523, 524, 526, 527, 528, 522, 523, 524, 526,
527, 528,
&end
#
# 34 LEU HG 34 LEU HN 3.50 (# 1123:15 Unique 2.01, 3.23 A)
&rst
ixpk= 1123, nxpk= 15, iat= 520, 513, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1124 34 LEU HN 2.80 (# 1124:15 Single Ambig)
&rst
ixpk= 1124, nxpk= 15, iat= -1, 513, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 517, 518, 517, 518,
&end
#
# 0 AMB 15-2:1125 34 LEU HN 3.50 (# 1125:15 Single Ambig)
&rst
ixpk= 1125, nxpk= 15, iat= -1, 513, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 515, 465,
&end
#
# 0 AMB 15-2:1126 34 LEU HN 5.50 (# 1126:15 Single Ambig)
&rst
ixpk= 1126, nxpk= 15, iat= -1, 513, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 497, 498, 497, 498,
&end
#
# 144 VAL HB 144 VAL HN 4.50 (# 1128:15 Unique 2.72, 3.44 A)
&rst
ixpk= 1128, nxpk= 15, iat=2212,2208, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 143 ASP HA 144 VAL HN 4.50 (# 1129:15 Unique 2.19, 2.49 A)
&rst
ixpk= 1129, nxpk= 15, iat=2198,2208, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1130 144 VAL HN 5.50 (# 1130:15 Single Ambig)
&rst
ixpk= 1130, nxpk= 15, iat= -1,2208, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2196,2255,
&end
#
# 0 AMB 15-2:1131 144 VAL HN 3.50 (# 1131:15 Single Ambig)
&rst
ixpk= 1131, nxpk= 15, iat= -1,2208, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2214,2215,2216,2218,2219,2220,2214,2215,2216,2218,
2219,2220,
&end
#
# 0 AMB 15-2:1132 144 VAL HN 5.50 (# 1132:15 Single Ambig)
&rst
ixpk= 1132, nxpk= 15, iat= -1,2208, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2210,2192,
&end
#
# 9 GLN HG+ 9 GLN HE2+ 4.50 (# 1134:15 Unique 2.25, 3.27 A)
&rst
ixpk= 1134, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 128, 129,
igr2= 133, 134,
&end
#
# 9 GLN HA 9 GLN HE2+ 5.50 (# 1135:15 Unique 2.69, 3.99 A)
&rst
ixpk= 1135, nxpk= 15, iat= 123, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 133, 134,
&end
#
# 0 AMB 15-2:1136 0 AMB 15-1:1136 4.50 (# 1136:15 Double Ambig)
&rst
ixpk= 1136, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1076,1077, 125, 126,
igr2= 133, 134, 133, 134,
&end
#
# 9 GLN HG- 9 GLN HE2+ 3.50 (# 1137:15 Unique 2.25, 3.27 A)
&rst
ixpk= 1137, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 128, 129,
igr2= 133, 134,
&end
#
# 71 ASP HN 9 GLN HE2+ 4.50 (# 1138:15 Unique 3.56, 4.69 A)
&rst
ixpk= 1138, nxpk= 15, iat=1083, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 133, 134,
&end
#
# 70 PRO HA 9 GLN HE2+ 5.50 (# 1139:15 Unique 3.95, 5.02 A)
&rst
ixpk= 1139, nxpk= 15, iat=1079, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 133, 134,
&end
#
# 9 GLN HB- 9 GLN HE2+ 5.50 (# 1140:15 Unique 2.53, 4.67 A)
&rst
ixpk= 1140, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 125, 126,
igr2= 133, 134,
&end
#
# 71 ASP HA 9 GLN HE2+ 5.50 (# 1141:15 Unique 3.20, 4.99 A)
&rst
ixpk= 1141, nxpk= 15, iat=1085, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 133, 134,
&end
#
# 21 GLU HB- 18 ALA HN 4.50 (# 1142:15 Unique 4.67, 5.09 A)
&rst
ixpk= 1142, nxpk= 15, iat= -1, 259, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 303, 304,
&end
#
# 0 AMB 15-2:1143 18 ALA HN 5.50 (# 1143:15 Single Ambig)
&rst
ixpk= 1143, nxpk= 15, iat= -1, 259, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 299, 199,
&end
#
# 0 AMB 15-2:1144 18 ALA HN 5.50 (# 1144:15 Single Ambig)
&rst
ixpk= 1144, nxpk= 15, iat= -1, 259, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 226, 209,
&end
#
# 18 ALA HA 18 ALA HN 2.80 (# 1145:15 Unique 2.78, 2.81 A)
&rst
ixpk= 1145, nxpk= 15, iat= 261, 259, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 18 ALA MB 18 ALA HN 2.80 (# 1146:15 Unique 2.47, 2.87 A)
&rst
ixpk= 1146, nxpk= 15, iat= -1, 259, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 263, 264, 265,
&end
#
# 0 AMB 15-2:1147 18 ALA HN 4.50 (# 1147:15 Single Ambig)
&rst
ixpk= 1147, nxpk= 15, iat= -1, 259, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 211, 201,
&end
#
# 19 ALA HN 18 ALA HN 3.50 (# 1148:15 Unique 2.79, 2.83 A)
&rst
ixpk= 1148, nxpk= 15, iat= 269, 259, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1149 18 ALA HN 5.50 (# 1149:15 Single Ambig)
&rst
ixpk= 1149, nxpk= 15, iat= -1, 259, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 230, 213, 214, 213, 214,
&end
#
# 0 AMB 15-2:1150 18 ALA HN 2.80 (# 1150:15 Single Ambig)
&rst
ixpk= 1150, nxpk= 15, iat= -1, 259, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 246, 247, 246, 247,
&end
#
# 0 AMB 15-2:1151 18 ALA HN 4.50 (# 1151:15 Single Ambig)
&rst
ixpk= 1151, nxpk= 15, iat= -1, 259, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 249, 250, 216, 217,
&end
#
# 17 GLN HN 18 ALA HN 3.50 (# 1152:15 Unique 2.90, 2.94 A)
&rst
ixpk= 1152, nxpk= 15, iat= 242, 259, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 GLN HA 18 ALA HN 4.50 (# 1153:15 Unique 3.61, 3.63 A)
&rst
ixpk= 1153, nxpk= 15, iat= 244, 259, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 90 GLY HA- 86 GLN HE2+ 5.50 (# 1155:15 Unique 2.96, 4.35 A)
&rst
ixpk= 1155, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1416,1417,
igr2=1355,1356,
&end
#
# 0 AMB 15-2:1156 0 AMB 15-1:1156 5.50 (# 1156:15 Double Ambig)
&rst
ixpk= 1156, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1389,1416,1417,
igr2=1355,1356,1355,1356,
&end
#
# 86 GLN HA 86 GLN HE2+ 5.50 (# 1157:15 Unique 2.50, 3.14 A)
&rst
ixpk= 1157, nxpk= 15, iat=1345, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1355,1356,
&end
#
# 86 GLN HG- 86 GLN HE2+ 4.50 (# 1158:15 Unique 2.24, 3.36 A)
&rst
ixpk= 1158, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1350,1351,
igr2=1355,1356,
&end
#
# 91 THR MG2 86 GLN HE2+ 5.50 (# 1159:15 Unique 3.54, 5.16 A)
&rst
ixpk= 1159, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1427,1428,1429,
igr2=1355,1356,
&end
#
# 0 AMB 15-2:1160 104 GLN HE2- 5.50 (# 1160:15 Single Ambig)
&rst
ixpk= 1160, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1607,1608,1607,1608,
igr2=1615,1616,
&end
#
# 0 AMB 15-2:1161 104 GLN HE2- 3.50 (# 1161:15 Single Ambig)
&rst
ixpk= 1161, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1178,1179,1180,1182,1183,1184,1178,1179,1180,1182,
1183,1184, 78, 79, 80,
igr2=1615,1616,
&end
#
# 104 GLN HG- 104 GLN HE2- 4.50 (# 1162:15 Unique 2.25, 3.23 A)
&rst
ixpk= 1162, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1610,1611,
igr2=1615,1616,
&end
#
# 0 AMB 15-2:1163 104 GLN HE2- 4.50 (# 1163:15 Single Ambig)
&rst
ixpk= 1163, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1188,1212,
igr2=1615,1616,
&end
#
# 0 AMB 15-2:1164 104 GLN HE2- 5.50 (# 1164:15 Single Ambig)
&rst
ixpk= 1164, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=1176,1219,1220,1192,1193,
igr2=1615,1616,
&end
#
# 96 VAL MGX 104 GLN HE2- 5.50 (# 1165:15 Unique 4.10, 6.56 A)
&rst
ixpk= 1165, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1506,1507,1508,1510,1511,1512,
igr2=1615,1616,
&end
#
# 104 GLN HG+ 104 GLN HE2- 4.50 (# 1166:15 Unique 2.25, 3.23 A)
&rst
ixpk= 1166, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1610,1611,
igr2=1615,1616,
&end
#
# 91 THR HN 90 GLY HN 5.50 (# 1167:15 Unique 3.99, 4.20 A)
&rst
ixpk= 1167, nxpk= 15, iat=1421,1414, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 89 TYR HD 90 GLY HN 5.50 (# 1168:15 Unique 3.49, 4.92 A)
&rst
ixpk= 1168, nxpk= 15, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1401,1410,
&end
#
# 87 LEU HB- 90 GLY HN 4.50 (# 1169:15 Unique 1.98, 4.42 A)
&rst
ixpk= 1169, nxpk= 15, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1364,1365,
&end
#
# 89 TYR HB- 90 GLY HN 4.50 (# 1170:15 Unique 2.65, 3.45 A)
&rst
ixpk= 1170, nxpk= 15, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1397,1398,
&end
#
# 90 GLY HA- 90 GLY HN 3.50 (# 1171:15 Unique 2.41, 2.79 A)
&rst
ixpk= 1171, nxpk= 15, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1416,1417,
&end
#
# 0 AMB 15-2:1172 90 GLY HN 3.50 (# 1172:15 Single Ambig)
&rst
ixpk= 1172, nxpk= 15, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1416,1417,1395,1389,
&end
#
# 89 TYR HN 90 GLY HN 4.50 (# 1173:15 Unique 2.58, 2.73 A)
&rst
ixpk= 1173, nxpk= 15, iat=1393,1414, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 87 LEU HB+ 90 GLY HN 4.50 (# 1174:15 Unique 1.98, 4.42 A)
&rst
ixpk= 1174, nxpk= 15, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1364,1365,
&end
#
# 0 AMB 15-2:1175 118 MET HN 4.50 (# 1175:15 Single Ambig)
&rst
ixpk= 1175, nxpk= 15, iat= -1,1812, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1805,1806,1777,1778,
&end
#
# 118 MET HB+ 118 MET HN 2.80 (# 1176:15 Unique 2.16, 2.77 A)
&rst
ixpk= 1176, nxpk= 15, iat= -1,1812, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1816,1817,
&end
#
# 0 AMB 15-2:1177 118 MET HN 2.80 (# 1177:15 Single Ambig)
&rst
ixpk= 1177, nxpk= 15, iat= -1,1812, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1803,1814,
&end
#
# 118 MET HB- 118 MET HN 2.80 (# 1178:15 Unique 2.16, 2.77 A)
&rst
ixpk= 1178, nxpk= 15, iat= -1,1812, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1816,1817,
&end
#
# 118 MET HG+ 118 MET HN 5.50 (# 1179:15 Unique 2.23, 3.87 A)
&rst
ixpk= 1179, nxpk= 15, iat= -1,1812, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1819,1820,
&end
#
# 116 HIS HA 118 MET HN 5.50 (# 1180:15 Unique 3.28, 3.59 A)
&rst
ixpk= 1180, nxpk= 15, iat=1786,1812, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 117 SER HN 118 MET HN 4.50 (# 1181:15 Unique 2.37, 2.74 A)
&rst
ixpk= 1181, nxpk= 15, iat=1801,1812, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 118 MET HG- 118 MET HN 5.50 (# 1182:15 Unique 2.23, 3.87 A)
&rst
ixpk= 1182, nxpk= 15, iat= -1,1812, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1819,1820,
&end
#
# 117 SER HB+ 118 MET HN 5.50 (# 1183:15 Unique 2.70, 4.04 A)
&rst
ixpk= 1183, nxpk= 15, iat= -1,1812, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1805,1806,
&end
#
# 119 SER HN 118 MET HN 5.50 (# 1185:15 Unique 4.40, 4.61 A)
&rst
ixpk= 1185, nxpk= 15, iat=1829,1812, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 GLY HA+ 72 GLN HE2+ 5.50 (# 1186:15 Unique 2.62, 4.16 A)
&rst
ixpk= 1186, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 771, 772,
igr2=1107,1108,
&end
#
# 72 GLN HG+ 72 GLN HE2+ 4.50 (# 1187:15 Unique 2.34, 3.27 A)
&rst
ixpk= 1187, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1102,1103,
igr2=1107,1108,
&end
#
# 0 AMB 15-2:1188 0 AMB 15-1:1188 2.80 (# 1188:15 Double Ambig)
&rst
ixpk= 1188, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1102,1103,1099,1100,1099,1100,
igr2=1107,1108,1107,1108,1107,1108,
&end
#
# 72 GLN HA 72 GLN HE2+ 5.50 (# 1189:15 Unique 4.01, 5.30 A)
&rst
ixpk= 1189, nxpk= 15, iat=1097, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1107,1108,
&end
#
# 0 AMB 15-2:1190 60 TRP HN 4.50 (# 1190:15 Single Ambig)
&rst
ixpk= 1190, nxpk= 15, iat= -1, 912, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
igr1= 578, 579, 611, 612, 613, 615, 616, 617, 871, 872,
873,
&end
#
# 0 AMB 15-2:1193 0 AMB 15-1:1193 3.50 (# 1193:15 Double Ambig)
&rst
ixpk= 1193, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 783, 784, 780, 781,
igr2= 788, 789, 788, 789,
&end
#
# 61 MET HG+ 60 TRP HN 5.50 (# 1195:15 Unique 3.57, 4.58 A)
&rst
ixpk= 1195, nxpk= 15, iat= -1, 912, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 943, 944,
&end
#
# 51 GLN HG- 51 GLN HE2+ 4.50 (# 1196:15 Unique 2.23, 3.40 A)
&rst
ixpk= 1196, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 783, 784,
igr2= 788, 789,
&end
#
# 0 AMB 15-2:1197 60 TRP HN 5.50 (# 1197:15 Single Ambig)
&rst
ixpk= 1197, nxpk= 15, iat= -1, 912, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 908,1756,
&end
#
# 0 AMB 15-2:1198 60 TRP HN 3.50 (# 1198:15 Single Ambig)
&rst
ixpk= 1198, nxpk= 15, iat= -1, 912, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 888, 916, 917,
&end
#
# 61 MET HN 60 TRP HN 2.80 (# 1199:15 Unique 1.88, 2.06 A)
&rst
ixpk= 1199, nxpk= 15, iat= 936, 912, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:1200 60 TRP HN 4.50 (# 1200:15 Single Ambig)
&rst
ixpk= 1200, nxpk= 15, iat= -1, 912, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 899, 900, 916, 917,
&end
#
# 60 TRP HA 60 TRP HN 4.50 (# 1201:15 Unique 2.95, 2.98 A)
&rst
ixpk= 1201, nxpk= 15, iat= 914, 912, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1202 0 AMB 15-1:1202 5.50 (# 1202:15 Double Ambig)
&rst
ixpk= 1202, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 758, 759, 761, 762,
igr2= 788, 789, 788, 789,
&end
#
# 102 VAL MGX 15 GLN HE2+ 5.50 (# 1203:15 Unique 3.23, 5.75 A)
&rst
ixpk= 1203, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1582,1583,1584,1586,1587,1588,
igr2= 221, 222,
&end
#
# 0 AMB 15-2:1204 0 AMB 15-1:1204 5.50 (# 1204:15 Double Ambig)
&rst
ixpk= 1204, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 213, 214, 213, 214,
igr2= 221, 222, 221, 222,
&end
#
# 15 GLN HG+ 15 GLN HE2+ 4.50 (# 1205:15 Unique 2.23, 3.44 A)
&rst
ixpk= 1205, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 216, 217,
igr2= 221, 222,
&end
#
# 0 AMB 15-2:1206 0 AMB 15-1:1206 5.50 (# 1206:15 Double Ambig)
&rst
ixpk= 1206, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1= 170, 171,1582,1583,1584,1586,1587,1588,
igr2= 221, 222, 221, 222,
&end
#
# 12 PRO HA 15 GLN HE2+ 5.50 (# 1207:15 Unique 2.73, 4.09 A)
&rst
ixpk= 1207, nxpk= 15, iat= 173, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 221, 222,
&end
#
# 14 ALA MB 15 GLN HE2+ 5.50 (# 1208:15 Unique 4.45, 6.78 A)
&rst
ixpk= 1208, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 203, 204, 205,
igr2= 221, 222,
&end
#
# 15 GLN HG- 15 GLN HE2+ 3.50 (# 1209:15 Unique 2.23, 3.44 A)
&rst
ixpk= 1209, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 216, 217,
igr2= 221, 222,
&end
#
# 71 ASP HA 9 GLN HE2- 5.50 (# 1210:15 Unique 3.20, 4.99 A)
&rst
ixpk= 1210, nxpk= 15, iat=1085, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 133, 134,
&end
#
# 70 PRO HA 9 GLN HE2- 4.50 (# 1211:15 Unique 3.95, 5.02 A)
&rst
ixpk= 1211, nxpk= 15, iat=1079, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 133, 134,
&end
#
# 71 ASP HN 9 GLN HE2- 4.50 (# 1212:15 Unique 3.56, 4.69 A)
&rst
ixpk= 1212, nxpk= 15, iat=1083, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 133, 134,
&end
#
# 0 AMB 15-2:1214 9 GLN HE2- 4.50 (# 1214:15 Single Ambig)
&rst
ixpk= 1214, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1076,1077, 125, 126,
igr2= 133, 134,
&end
#
# 9 GLN HG- 9 GLN HE2- 4.50 (# 1215:15 Unique 2.25, 3.27 A)
&rst
ixpk= 1215, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 128, 129,
igr2= 133, 134,
&end
#
# 9 GLN HG+ 9 GLN HE2- 4.50 (# 1216:15 Unique 2.25, 3.27 A)
&rst
ixpk= 1216, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 128, 129,
igr2= 133, 134,
&end
#
# 9 GLN HB- 9 GLN HE2- 5.50 (# 1217:15 Unique 2.53, 4.67 A)
&rst
ixpk= 1217, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 125, 126,
igr2= 133, 134,
&end
#
# 70 PRO HB- 9 GLN HE2- 5.50 (# 1218:15 Unique 2.45, 5.20 A)
&rst
ixpk= 1218, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1076,1077,
igr2= 133, 134,
&end
#
# 9 GLN HA 9 GLN HE2- 5.50 (# 1219:15 Unique 2.69, 3.99 A)
&rst
ixpk= 1219, nxpk= 15, iat= 123, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 133, 134,
&end
#
# 0 AMB 15-2:1220 61 MET HN 5.50 (# 1220:15 Single Ambig)
&rst
ixpk= 1220, nxpk= 15, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 890, 891, 892, 855, 856, 857, 859, 860, 861,
&end
#
# 0 AMB 15-2:1221 61 MET HN 4.50 (# 1221:15 Single Ambig)
&rst
ixpk= 1221, nxpk= 15, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 914, 867,
&end
#
# 60 TRP HN 61 MET HN 2.80 (# 1222:15 Unique 1.88, 2.06 A)
&rst
ixpk= 1222, nxpk= 15, iat= 912, 936, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 61 MET HA 61 MET HN 4.50 (# 1224:15 Unique 2.87, 2.93 A)
&rst
ixpk= 1224, nxpk= 15, iat= 938, 936, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1225 61 MET HN 4.50 (# 1225:15 Single Ambig)
&rst
ixpk= 1225, nxpk= 15, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 943, 944, 940, 941,
&end
#
# 58 THR HN 61 MET HN 4.50 (# 1226:15 Unique 2.79, 2.90 A)
&rst
ixpk= 1226, nxpk= 15, iat= 884, 936, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 62 LEU HN 61 MET HN 5.50 (# 1227:15 Unique 4.35, 4.41 A)
&rst
ixpk= 1227, nxpk= 15, iat= 953, 936, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 MET HG+ 61 MET HN 5.50 (# 1229:15 Unique 2.35, 3.16 A)
&rst
ixpk= 1229, nxpk= 15, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 943, 944,
&end
#
# 0 AMB 15-2:1230 61 MET HN 5.50 (# 1230:15 Single Ambig)
&rst
ixpk= 1230, nxpk= 15, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 916, 917, 899, 900,
&end
#
# 129 ASP HA 132 ARG HN 4.50 (# 1231:15 Unique 3.21, 3.43 A)
&rst
ixpk= 1231, nxpk= 15, iat=1984,2015, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1232 132 ARG HN 2.80 (# 1232:15 Single Ambig)
&rst
ixpk= 1232, nxpk= 15, iat= -1,2015, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2022,2023,2019,2020,
&end
#
# 133 MET HB+ 132 ARG HN 5.50 (# 1233:15 Unique 4.71, 5.08 A)
&rst
ixpk= 1233, nxpk= 15, iat= -1,2015, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2043,2044,
&end
#
# 0 AMB 15-2:1234 132 ARG HN 5.50 (# 1234:15 Single Ambig)
&rst
ixpk= 1234, nxpk= 15, iat= -1,2015, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2025,2026,2025,2026,
&end
#
# 0 AMB 15-2:1235 132 ARG HN 5.50 (# 1235:15 Single Ambig)
&rst
ixpk= 1235, nxpk= 15, iat= -1,2015, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2007,2041,
&end
#
# 132 ARG HA 132 ARG HN 3.50 (# 1236:15 Unique 2.75, 2.83 A)
&rst
ixpk= 1236, nxpk= 15, iat=2017,2015, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 133 MET HN 132 ARG HN 3.50 (# 1237:15 Unique 2.58, 2.79 A)
&rst
ixpk= 1237, nxpk= 15, iat=2039,2015, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 132 ARG HB+ 132 ARG HN 3.50 (# 1238:15 Unique 2.22, 2.99 A)
&rst
ixpk= 1238, nxpk= 15, iat= -1,2015, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2019,2020,
&end
#
# 0 AMB 15-2:1239 132 ARG HN 3.50 (# 1239:15 Single Ambig)
&rst
ixpk= 1239, nxpk= 15, iat= -1,2015, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=2022,2023,2009,2010,2011,
&end
#
# 131 ALA HN 132 ARG HN 4.50 (# 1240:15 Unique 2.52, 2.75 A)
&rst
ixpk= 1240, nxpk= 15, iat=2005,2015, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1243 42 VAL HN 5.50 (# 1243:15 Single Ambig)
&rst
ixpk= 1243, nxpk= 15, iat= -1, 642, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 658, 242,
&end
#
# 41 TYR HB+ 42 VAL HN 4.50 (# 1244:15 Unique 3.75, 3.98 A)
&rst
ixpk= 1244, nxpk= 15, iat= -1, 642, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 625, 626,
&end
#
# 42 VAL MGY 42 VAL HN 3.50 (# 1245:15 Unique 2.22, 4.24 A)
&rst
ixpk= 1245, nxpk= 15, iat= -1, 642, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 648, 649, 650, 652, 653, 654,
&end
#
# 42 VAL HB 42 VAL HN 2.80 (# 1246:15 Unique 2.82, 2.87 A)
&rst
ixpk= 1246, nxpk= 15, iat= 646, 642, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 41 TYR HA 42 VAL HN 2.80 (# 1247:15 Unique 2.30, 2.36 A)
&rst
ixpk= 1247, nxpk= 15, iat= 623, 642, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 42 VAL MGX 42 VAL HN 3.50 (# 1248:15 Unique 2.22, 4.24 A)
&rst
ixpk= 1248, nxpk= 15, iat= -1, 642, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 648, 649, 650, 652, 653, 654,
&end
#
# 42 VAL HA 42 VAL HN 4.50 (# 1249:15 Unique 2.93, 2.95 A)
&rst
ixpk= 1249, nxpk= 15, iat= 644, 642, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1250 42 VAL HN 4.50 (# 1250:15 Single Ambig)
&rst
ixpk= 1250, nxpk= 15, iat= -1, 642, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 625, 626, 190, 191, 190, 191,
&end
#
# 0 AMB 15-2:1251 141 ASN HD2- 4.50 (# 1251:15 Single Ambig)
&rst
ixpk= 1251, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=2172,2173,2200,2201,
igr2=2177,2178,
&end
#
# 0 AMB 15-2:1253 42 VAL HN 5.50 (# 1253:15 Single Ambig)
&rst
ixpk= 1253, nxpk= 15, iat= -1, 642, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 631, 636, 254, 255,
&end
#
# 0 AMB 15-2:1254 0 AMB 15-1:1254 4.50 (# 1254:15 Double Ambig)
&rst
ixpk= 1254, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1903,1904, 595, 596, 595, 596,
igr2=1908,1909,1908,1909,1908,1909,
&end
#
# 120 ILE MG2 124 GLN HE2+ 4.50 (# 1255:15 Unique 2.35, 5.00 A)
&rst
ixpk= 1255, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1846,1847,1848,
igr2=1908,1909,
&end
#
# 0 AMB 15-2:1256 0 AMB 15-1:1256 3.50 (# 1256:15 Double Ambig)
&rst
ixpk= 1256, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1903,1904,1900,1901,
igr2=1908,1909,1908,1909,
&end
#
# 39 PRO HB- 124 GLN HE2+ 5.50 (# 1257:15 Unique 4.04, 7.71 A)
&rst
ixpk= 1257, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 598, 599,
igr2=1908,1909,
&end
#
# 124 GLN HB- 124 GLN HE2+ 5.50 (# 1258:15 Unique 2.53, 3.90 A)
&rst
ixpk= 1258, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1900,1901,
igr2=1908,1909,
&end
#
# 0 AMB 15-2:1259 15 GLN HE2- 5.50 (# 1259:15 Single Ambig)
&rst
ixpk= 1259, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 213, 214, 213, 214,
igr2= 221, 222,
&end
#
# 14 ALA MB 15 GLN HE2- 5.50 (# 1260:15 Unique 4.45, 6.78 A)
&rst
ixpk= 1260, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 203, 204, 205,
igr2= 221, 222,
&end
#
# 15 GLN HG+ 15 GLN HE2- 5.50 (# 1261:15 Unique 2.23, 3.44 A)
&rst
ixpk= 1261, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 216, 217,
igr2= 221, 222,
&end
#
# 12 PRO HA 15 GLN HE2- 4.50 (# 1262:15 Unique 2.73, 4.09 A)
&rst
ixpk= 1262, nxpk= 15, iat= 173, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 221, 222,
&end
#
# 0 AMB 15-2:1263 15 GLN HE2- 5.50 (# 1263:15 Single Ambig)
&rst
ixpk= 1263, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 170, 171,1582,1583,1584,1586,1587,1588,
igr2= 221, 222,
&end
#
# 15 GLN HG- 15 GLN HE2- 4.50 (# 1264:15 Unique 2.23, 3.44 A)
&rst
ixpk= 1264, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 216, 217,
igr2= 221, 222,
&end
#
# 72 GLN HG+ 72 GLN HE2- 5.50 (# 1265:15 Unique 2.34, 3.27 A)
&rst
ixpk= 1265, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1102,1103,
igr2=1107,1108,
&end
#
# 0 AMB 15-2:1266 72 GLN HE2- 3.50 (# 1266:15 Single Ambig)
&rst
ixpk= 1266, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1102,1103,1099,1100,1099,1100,
igr2=1107,1108,
&end
#
# 72 GLN HA 72 GLN HE2- 5.50 (# 1267:15 Unique 4.01, 5.30 A)
&rst
ixpk= 1267, nxpk= 15, iat=1097, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1107,1108,
&end
#
# 90 GLY HA- 86 GLN HE2- 5.50 (# 1268:15 Unique 2.96, 4.35 A)
&rst
ixpk= 1268, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1416,1417,
igr2=1355,1356,
&end
#
# 91 THR MG2 86 GLN HE2- 5.50 (# 1269:15 Unique 3.54, 5.16 A)
&rst
ixpk= 1269, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1427,1428,1429,
igr2=1355,1356,
&end
#
# 86 GLN HG+ 86 GLN HE2- 5.50 (# 1270:15 Unique 2.24, 3.36 A)
&rst
ixpk= 1270, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1350,1351,
igr2=1355,1356,
&end
#
# 0 AMB 15-2:1271 86 GLN HE2- 5.50 (# 1271:15 Single Ambig)
&rst
ixpk= 1271, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1389,1416,1417,
igr2=1355,1356,
&end
#
# 0 AMB 15-2:1272 86 GLN HE2- 5.50 (# 1272:15 Single Ambig)
&rst
ixpk= 1272, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1380,1381,1397,1398,
igr2=1355,1356,
&end
#
# 0 AMB 15-2:1273 86 GLN HE2- 5.50 (# 1273:15 Single Ambig)
&rst
ixpk= 1273, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1442,1443,1397,1398,
igr2=1355,1356,
&end
#
# 0 AMB 15-2:1274 13 LYS HN 5.50 (# 1274:15 Single Ambig)
&rst
ixpk= 1274, nxpk= 15, iat= -1, 177, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 156, 157, 156, 157,
&end
#
# 13 LYS HB+ 13 LYS HN 3.50 (# 1275:15 Unique 2.15, 2.55 A)
&rst
ixpk= 1275, nxpk= 15, iat= -1, 177, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 181, 182,
&end
#
# 13 LYS HG- 13 LYS HN 4.50 (# 1276:15 Unique 2.46, 4.10 A)
&rst
ixpk= 1276, nxpk= 15, iat= -1, 177, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 184, 185,
&end
#
# 13 LYS HB- 13 LYS HN 3.50 (# 1277:15 Unique 2.15, 2.55 A)
&rst
ixpk= 1277, nxpk= 15, iat= -1, 177, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 181, 182,
&end
#
# 0 AMB 15-2:1278 13 LYS HN 3.50 (# 1278:15 Single Ambig)
&rst
ixpk= 1278, nxpk= 15, iat= -1, 177, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 179, 164, 165,
&end
#
# 12 PRO HA 13 LYS HN 4.50 (# 1279:15 Unique 2.53, 2.68 A)
&rst
ixpk= 1279, nxpk= 15, iat= 173, 177, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 14 ALA HN 13 LYS HN 4.50 (# 1280:15 Unique 2.77, 2.99 A)
&rst
ixpk= 1280, nxpk= 15, iat= 199, 177, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 LYS HG+ 13 LYS HN 4.50 (# 1281:15 Unique 2.46, 4.10 A)
&rst
ixpk= 1281, nxpk= 15, iat= -1, 177, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 184, 185,
&end
#
# 11 SER HA 13 LYS HN 5.50 (# 1282:15 Unique 4.29, 4.47 A)
&rst
ixpk= 1282, nxpk= 15, iat= 154, 177, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 89 TYR HD 89 TYR HN 5.50 (# 1283:15 Unique 2.03, 4.61 A)
&rst
ixpk= 1283, nxpk= 15, iat= -1,1393, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1401,1410,
&end
#
# 89 TYR HA 89 TYR HN 4.50 (# 1284:15 Unique 2.76, 2.84 A)
&rst
ixpk= 1284, nxpk= 15, iat=1395,1393, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 89 TYR HB- 89 TYR HN 4.50 (# 1285:15 Unique 2.15, 2.47 A)
&rst
ixpk= 1285, nxpk= 15, iat= -1,1393, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1397,1398,
&end
#
# 0 AMB 15-2:1286 89 TYR HN 5.50 (# 1286:15 Single Ambig)
&rst
ixpk= 1286, nxpk= 15, iat= -1,1393, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1414, 744, 748,
&end
#
# 0 AMB 15-2:1287 89 TYR HN 5.50 (# 1287:15 Single Ambig)
&rst
ixpk= 1287, nxpk= 15, iat= -1,1393, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2098,2099,2058,
&end
#
# 88 PRO HB- 89 TYR HN 5.50 (# 1289:15 Unique 2.73, 3.59 A)
&rst
ixpk= 1289, nxpk= 15, iat= -1,1393, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1386,1387,
&end
#
# 89 TYR HB+ 89 TYR HN 4.50 (# 1290:15 Unique 2.15, 2.47 A)
&rst
ixpk= 1290, nxpk= 15, iat= -1,1393, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1397,1398,
&end
#
# 51 GLN HB- 51 GLN HE2- 4.50 (# 1293:15 Unique 2.35, 3.77 A)
&rst
ixpk= 1293, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 780, 781,
igr2= 788, 789,
&end
#
# 0 AMB 15-2:1295 17 GLN HE2- 4.50 (# 1295:15 Single Ambig)
&rst
ixpk= 1295, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 249, 250, 609,
igr2= 254, 255,
&end
#
# 41 TYR HA 17 GLN HE2- 4.50 (# 1296:15 Unique 2.55, 3.38 A)
&rst
ixpk= 1296, nxpk= 15, iat= 623, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 254, 255,
&end
#
# 21 GLU HG+ 17 GLN HE2- 5.50 (# 1297:15 Unique 4.16, 6.77 A)
&rst
ixpk= 1297, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 306, 307,
igr2= 254, 255,
&end
#
# 42 VAL MGX 17 GLN HE2- 5.50 (# 1298:15 Unique 4.47, 7.59 A)
&rst
ixpk= 1298, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 648, 649, 650, 652, 653, 654,
igr2= 254, 255,
&end
#
# 0 AMB 15-2:1299 17 GLN HE2- 3.50 (# 1299:15 Single Ambig)
&rst
ixpk= 1299, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 249, 250, 595, 596, 595, 596, 246, 247,
igr2= 254, 255,
&end
#
# 0 AMB 15-2:1300 17 GLN HE2- 5.50 (# 1300:15 Single Ambig)
&rst
ixpk= 1300, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 611, 612, 613, 615, 616, 617, 648, 649, 650, 652,
653, 654,
igr2= 254, 255,
&end
#
# 40 VAL MGY 17 GLN HE2- 4.50 (# 1301:15 Unique 3.20, 6.56 A)
&rst
ixpk= 1301, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 254, 255,
&end
#
# 0 AMB 15-2:1302 135 LEU HN 5.50 (# 1302:15 Single Ambig)
&rst
ixpk= 1302, nxpk= 15, iat= -1,2075, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2062,2063,2064,2069,2070,2071,
&end
#
# 0 AMB 15-2:1303 135 LEU HN 5.50 (# 1303:15 Single Ambig)
&rst
ixpk= 1303, nxpk= 15, iat= -1,2075, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2058,2098,2099,
&end
#
# 134 ILE HG1+ 135 LEU HN 5.50 (# 1304:15 Unique 3.01, 3.84 A)
&rst
ixpk= 1304, nxpk= 15, iat= -1,2075, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2066,2067,
&end
#
# 0 AMB 15-2:1305 135 LEU HN 5.50 (# 1305:15 Single Ambig)
&rst
ixpk= 1305, nxpk= 15, iat= -1,2075, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=2060,2019,2020,1383,1384,
&end
#
# 0 AMB 15-2:1306 135 LEU HN 3.50 (# 1306:15 Single Ambig)
&rst
ixpk= 1306, nxpk= 15, iat= -1,2075, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2082,2066,2067,
&end
#
# 0 AMB 15-2:1307 135 LEU HN 4.50 (# 1307:15 Single Ambig)
&rst
ixpk= 1307, nxpk= 15, iat= -1,2075, r1= 0.00, r2= 1.80, r3= 7.35, r4= 8.10,
igr1=2084,2085,2086,2088,2089,2090,2114,2115,2116,2118,
2119,2120,2114,2115,2116,2118,2119,2120,2112,
&end
#
# 0 AMB 15-2:1308 135 LEU HN 2.80 (# 1308:15 Single Ambig)
&rst
ixpk= 1308, nxpk= 15, iat= -1,2075, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2079,2080,2079,2080,
&end
#
# 135 LEU MDY 135 LEU HN 5.50 (# 1309:15 Unique 3.39, 4.46 A)
&rst
ixpk= 1309, nxpk= 15, iat= -1,2075, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2084,2085,2086,2088,2089,2090,
&end
#
# 136 SER HN 135 LEU HN 2.80 (# 1310:15 Unique 1.93, 2.49 A)
&rst
ixpk= 1310, nxpk= 15, iat=2094,2075, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:1311 124 GLN HE2- 3.50 (# 1311:15 Single Ambig)
&rst
ixpk= 1311, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1903,1904,1900,1901,
igr2=1908,1909,
&end
#
# 0 AMB 15-2:1312 135 LEU HN 5.50 (# 1312:15 Single Ambig)
&rst
ixpk= 1312, nxpk= 15, iat= -1,2075, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2041,2098,2099,2125,2126,2007,
&end
#
# 39 PRO HB- 124 GLN HE2- 5.50 (# 1313:15 Unique 4.04, 7.71 A)
&rst
ixpk= 1313, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 598, 599,
igr2=1908,1909,
&end
#
# 120 ILE MG2 124 GLN HE2- 4.50 (# 1314:15 Unique 2.35, 5.00 A)
&rst
ixpk= 1314, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1846,1847,1848,
igr2=1908,1909,
&end
#
# 0 AMB 15-2:1315 135 LEU HN 4.50 (# 1315:15 Single Ambig)
&rst
ixpk= 1315, nxpk= 15, iat= -1,2075, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2017,2077,
&end
#
# 0 AMB 15-2:1316 124 GLN HE2- 4.50 (# 1316:15 Single Ambig)
&rst
ixpk= 1316, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1903,1904, 595, 596, 595, 596,
igr2=1908,1909,
&end
#
# 9 GLN HG+ 10 THR HN 5.50 (# 1317:15 Unique 4.22, 5.09 A)
&rst
ixpk= 1317, nxpk= 15, iat= -1, 138, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 128, 129,
&end
#
# 21 GLU HN 19 ALA HN 5.50 (# 1318:15 Unique 3.94, 4.03 A)
&rst
ixpk= 1318, nxpk= 15, iat= 299, 269, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1319 128 ASP HN 5.50 (# 1319:15 Single Ambig)
&rst
ixpk= 1319, nxpk= 15, iat= -1,1970, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1937, 658,
&end
#
# 127 THR HN 128 ASP HN 3.50 (# 1320:15 Unique 2.50, 2.63 A)
&rst
ixpk= 1320, nxpk= 15, iat=1956,1970, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 57 ILE HN 43 SER HN 5.50 (# 1321:15 Unique 4.88, 5.11 A)
&rst
ixpk= 1321, nxpk= 15, iat= 865, 658, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 PHE HN 46 THR HN 5.50 (# 1322:15 Unique 4.02, 4.29 A)
&rst
ixpk= 1322, nxpk= 15, iat= 681, 701, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 LEU HN 46 THR HN 5.50 (# 1323:15 Unique 4.40, 4.52 A)
&rst
ixpk= 1323, nxpk= 15, iat= 715, 701, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 PHE HD 46 THR HN 5.50 (# 1324:15 Unique 2.77, 4.41 A)
&rst
ixpk= 1324, nxpk= 15, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 689, 697,
&end
#
# 95 THR HN 96 VAL HN 5.50 (# 1325:15 Unique 4.51, 4.57 A)
&rst
ixpk= 1325, nxpk= 15, iat=1486,1500, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1326 0 AMB 15-1:1326 5.50 (# 1326:15 Double Ambig)
&rst
ixpk= 1326, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 744, 748,1414,
igr2= 754,1435,
&end
#
# 53 THR HN 52 TRP HN 5.50 (# 1327:15 Unique 4.60, 4.66 A)
&rst
ixpk= 1327, nxpk= 15, iat= 817, 793, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 56 VAL HN 55 CYS HN 5.50 (# 1328:15 Unique 4.18, 4.28 A)
&rst
ixpk= 1328, nxpk= 15, iat= 849, 838, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 TRP HN 58 THR HN 5.50 (# 1329:15 Unique 3.43, 3.70 A)
&rst
ixpk= 1329, nxpk= 15, iat= 912, 884, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1330 93 THR HN 4.50 (# 1330:15 Single Ambig)
&rst
ixpk= 1330, nxpk= 15, iat= -1,1452, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1435,1324,
&end
#
# 66 ILE HN 67 PHE HN 5.50 (# 1331:15 Unique 4.28, 4.33 A)
&rst
ixpk= 1331, nxpk= 15, iat=1009,1028, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 TRP HN 67 PHE HN 5.50 (# 1332:15 Unique 2.91, 3.20 A)
&rst
ixpk= 1332, nxpk= 15, iat= 793,1028, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 TYR HN 42 VAL HN 5.50 (# 1334:15 Unique 4.39, 4.42 A)
&rst
ixpk= 1334, nxpk= 15, iat= 621, 642, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 5 ILE HN 76 LEU HN 5.50 (# 1335:15 Unique 4.22, 4.60 A)
&rst
ixpk= 1335, nxpk= 15, iat= 65,1169, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 GLN HE2+ 77 ARG HN 5.50 (# 1336:15 Unique 2.91, 3.87 A)
&rst
ixpk= 1336, nxpk= 15, iat= -1,1188, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1615,1616,
&end
#
# 104 GLN HE2- 79 VAL HN 5.50 (# 1337:15 Unique 3.94, 5.00 A)
&rst
ixpk= 1337, nxpk= 15, iat= -1,1234, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1615,1616,
&end
#
# 97 GLY HN 105 TYR HN 4.50 (# 1338:15 Unique 2.84, 2.90 A)
&rst
ixpk= 1338, nxpk= 15, iat=1516,1620, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 PHE HN 84 GLY HN 5.50 (# 1339:15 Unique 4.91, 4.98 A)
&rst
ixpk= 1339, nxpk= 15, iat=1466,1317, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 86 GLN HN 87 LEU HN 5.50 (# 1340:15 Unique 3.61, 4.25 A)
&rst
ixpk= 1340, nxpk= 15, iat=1343,1360, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1341 0 AMB 15-1:1341 5.50 (# 1341:15 Double Ambig)
&rst
ixpk= 1341, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1421,1276,
igr2=1435,1500,
&end
#
# 94 PHE HN 93 THR HN 5.50 (# 1342:15 Unique 4.23, 4.48 A)
&rst
ixpk= 1342, nxpk= 15, iat=1466,1452, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 94 PHE HN 95 THR HN 5.50 (# 1343:15 Unique 4.32, 4.43 A)
&rst
ixpk= 1343, nxpk= 15, iat=1466,1486, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1344 95 THR HN 5.50 (# 1344:15 Single Ambig)
&rst
ixpk= 1344, nxpk= 15, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1500,1516,
&end
#
# 0 AMB 15-2:1345 97 GLY HN 5.50 (# 1345:15 Single Ambig)
&rst
ixpk= 1345, nxpk= 15, iat= -1,1516, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1523,1009,
&end
#
# 100 ASP HN 99 LEU HN 5.50 (# 1346:15 Unique 4.32, 4.48 A)
&rst
ixpk= 1346, nxpk= 15, iat=1557,1538, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 100 ASP HN 101 GLY HN 5.50 (# 1347:15 Unique 4.55, 4.63 A)
&rst
ixpk= 1347, nxpk= 15, iat=1557,1569, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 103 SER HN 104 GLN HN 4.50 (# 1348:15 Unique 4.29, 4.40 A)
&rst
ixpk= 1348, nxpk= 15, iat=1592,1603, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 106 LEU HN 105 TYR HN 5.50 (# 1349:15 Unique 4.32, 4.36 A)
&rst
ixpk= 1349, nxpk= 15, iat=1641,1620, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 108 CYS HN 107 SER HN 5.50 (# 1350:15 Unique 4.40, 4.45 A)
&rst
ixpk= 1350, nxpk= 15, iat=1671,1660, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 124 GLN HE2+ 124 GLN HN 5.50 (# 1351:15 Unique 2.82, 4.44 A)
&rst
ixpk= 1351, nxpk= 15, iat= -1,1896, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1908,1909,
&end
#
# 0 AMB 15-2:1352 0 AMB 15-1:1352 5.50 (# 1352:15 Double Ambig)
&rst
ixpk= 1352, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2461,1896,
igr2=2476,1937,
&end
#
# 129 ASP HN 131 ALA HN 5.50 (# 1353:15 Unique 4.04, 4.22 A)
&rst
ixpk= 1353, nxpk= 15, iat=1982,2005, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1354 135 LEU HN 5.50 (# 1354:15 Single Ambig)
&rst
ixpk= 1354, nxpk= 15, iat= -1,2075, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2096,2134,
&end
#
# 154 PHE HD 154 PHE HN 5.50 (# 1357:15 Unique 2.26, 3.87 A)
&rst
ixpk= 1357, nxpk= 15, iat= -1,2368, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2376,2384,
&end
#
# 158 SER HN 156 ARG HN 5.50 (# 1358:15 Unique 5.03, 5.46 A)
&rst
ixpk= 1358, nxpk= 15, iat=2443,2395, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 128 ASP HN 126 LEU HN 5.50 (# 1360:15 Unique 3.83, 3.92 A)
&rst
ixpk= 1360, nxpk= 15, iat=1970,1937, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1361 72 GLN HN 4.50 (# 1361:15 Single Ambig)
&rst
ixpk= 1361, nxpk= 15, iat= -1,1095, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1112, 793,
&end
#
# 74 TRP HN 73 LEU HN 5.50 (# 1362:15 Unique 3.65, 3.91 A)
&rst
ixpk= 1362, nxpk= 15, iat=1131,1112, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 73 LEU HN 74 TRP HN 5.50 (# 1363:15 Unique 3.65, 3.91 A)
&rst
ixpk= 1363, nxpk= 15, iat=1112,1131, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 72 GLN HN 74 TRP HN 5.50 (# 1364:15 Unique 5.47, 5.56 A)
&rst
ixpk= 1364, nxpk= 15, iat=1095,1131, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1365 72 GLN HN 5.50 (# 1365:15 Single Ambig)
&rst
ixpk= 1365, nxpk= 15, iat= -1,1095, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1139, 133, 134, 806,
&end
#
# 7 GLY HA- 72 GLN HN 5.50 (# 1366:15 Unique 2.10, 4.41 A)
&rst
ixpk= 1366, nxpk= 15, iat= -1,1095, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 96, 97,
&end
#
# 0 AMB 15-2:1367 74 TRP HN 5.50 (# 1367:15 Single Ambig)
&rst
ixpk= 1367, nxpk= 15, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1099,1100,1099,1100, 57, 58, 57, 58,
&end
#
# 66 ILE HN 65 VAL HN 5.50 (# 1368:15 Unique 4.35, 4.39 A)
&rst
ixpk= 1368, nxpk= 15, iat=1009, 993, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 LEU MDY 53 THR HN 5.50 (# 1369:15 Unique 4.50, 6.89 A)
&rst
ixpk= 1369, nxpk= 15, iat= -1, 817, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 724, 725, 726, 728, 729, 730,
&end
#
# 58 THR HN 63 SER HN 5.50 (# 1370:15 Unique 5.00, 5.31 A)
&rst
ixpk= 1370, nxpk= 15, iat= 884, 972, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 LEU MDY 102 VAL HN 5.50 (# 1371:15 Unique 4.92, 6.18 A)
&rst
ixpk= 1371, nxpk= 15, iat= -1,1576, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1547,1548,1549,1551,1552,1553,
&end
#
# 99 LEU MDX 102 VAL HN 5.50 (# 1372:15 Unique 4.92, 6.18 A)
&rst
ixpk= 1372, nxpk= 15, iat= -1,1576, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1547,1548,1549,1551,1552,1553,
&end
#
# 57 ILE HN 58 THR HN 5.50 (# 1373:15 Unique 4.34, 4.38 A)
&rst
ixpk= 1373, nxpk= 15, iat= 865, 884, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 THR HA 58 THR HN 5.50 (# 1374:15 Unique 2.91, 2.96 A)
&rst
ixpk= 1374, nxpk= 15, iat= 886, 884, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 57 ILE HG1- 58 THR HN 4.50 (# 1375:15 Unique 2.08, 2.66 A)
&rst
ixpk= 1375, nxpk= 15, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 875, 876,
&end
#
# 0 AMB 15-2:1376 58 THR HN 3.50 (# 1376:15 Single Ambig)
&rst
ixpk= 1376, nxpk= 15, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 5.61, r4= 6.36,
igr1= 871, 872, 873, 962, 963, 964, 966, 967, 968, 962,
963, 964, 966, 967, 968, 578, 579,
&end
#
# 135 LEU MDX 46 THR HN 5.50 (# 1377:15 Unique 3.44, 5.46 A)
&rst
ixpk= 1377, nxpk= 15, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2084,2085,2086,2088,2089,2090,
&end
#
# 46 THR HA 46 THR HN 3.50 (# 1378:15 Unique 2.16, 2.52 A)
&rst
ixpk= 1378, nxpk= 15, iat= 703, 701, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 41 TYR HE 43 SER HN 5.50 (# 1379:15 Unique 3.66, 5.37 A)
&rst
ixpk= 1379, nxpk= 15, iat= -1, 658, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 631, 636,
&end
#
# 56 VAL HA 43 SER HN 3.50 (# 1380:15 Unique 3.53, 3.57 A)
&rst
ixpk= 1380, nxpk= 15, iat= 851, 658, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 56 VAL MGY 43 SER HN 5.50 (# 1381:15 Unique 5.46, 6.75 A)
&rst
ixpk= 1381, nxpk= 15, iat= -1, 658, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 855, 856, 857, 859, 860, 861,
&end
#
# 0 AMB 15-2:1382 42 VAL HN 5.50 (# 1382:15 Single Ambig)
&rst
ixpk= 1382, nxpk= 15, iat= -1, 642, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 246, 247, 246, 247, 249, 250,1903,1904,
&end
#
# 40 VAL HN 41 TYR HN 5.50 (# 1383:15 Unique 3.96, 4.41 A)
&rst
ixpk= 1383, nxpk= 15, iat= 605, 621, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1384 41 TYR HN 5.50 (# 1384:15 Single Ambig)
&rst
ixpk= 1384, nxpk= 15, iat= -1, 621, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 886, 644,
&end
#
# 40 VAL HA 40 VAL HN 3.50 (# 1385:15 Unique 2.21, 2.83 A)
&rst
ixpk= 1385, nxpk= 15, iat= 607, 605, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 5 ILE MD1 5 ILE HN 4.50 (# 1386:15 Unique 2.17, 4.75 A)
&rst
ixpk= 1386, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 78, 79, 80,
&end
#
# 13 LYS HA 16 VAL HN 4.50 (# 1387:15 Unique 3.12, 3.75 A)
&rst
ixpk= 1387, nxpk= 15, iat= 179, 226, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 VAL HA 20 PHE HN 5.50 (# 1389:15 Unique 3.74, 3.85 A)
&rst
ixpk= 1389, nxpk= 15, iat= 228, 279, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1390 20 PHE HN 5.50 (# 1390:15 Single Ambig)
&rst
ixpk= 1390, nxpk= 15, iat= -1, 279, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 611, 612, 613, 615, 616, 617, 232, 233, 234, 236,
237, 238, 648, 649, 650, 652, 653, 654,
&end
#
# 0 AMB 15-2:1391 20 PHE HN 5.50 (# 1391:15 Single Ambig)
&rst
ixpk= 1391, nxpk= 15, iat= -1, 279, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1547,1548,1549,1551,1552,1553, 855, 856, 857, 859,
860, 861,
&end
#
# 0 AMB 15-2:1392 21 GLU HN 4.50 (# 1392:15 Single Ambig)
&rst
ixpk= 1392, nxpk= 15, iat= -1, 299, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 269, 254, 255, 358,
&end
#
# 122 GLU HG+ 122 GLU HN 3.50 (# 1393:15 Unique 2.25, 3.06 A)
&rst
ixpk= 1393, nxpk= 15, iat= -1,1874, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1881,1882,
&end
#
# 0 AMB 15-2:1394 23 ILE HN 4.50 (# 1394:15 Single Ambig)
&rst
ixpk= 1394, nxpk= 15, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 386, 387, 386, 387,
&end
#
# 0 AMB 15-2:1395 25 ARG HN 3.50 (# 1395:15 Single Ambig)
&rst
ixpk= 1395, nxpk= 15, iat= -1, 358, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 350, 384,
&end
#
# 0 AMB 15-2:1396 25 ARG HN 3.50 (# 1396:15 Single Ambig)
&rst
ixpk= 1396, nxpk= 15, iat= -1, 358, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 386, 387, 386, 387,
&end
#
# 0 AMB 15-2:1397 25 ARG HN 3.50 (# 1397:15 Single Ambig)
&rst
ixpk= 1397, nxpk= 15, iat= -1, 358, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 389, 390, 389, 390, 365, 366,
&end
#
# 0 AMB 15-2:1398 26 ARG HN 2.80 (# 1398:15 Single Ambig)
&rst
ixpk= 1398, nxpk= 15, iat= -1, 382, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 386, 387, 386, 387,
&end
#
# 0 AMB 15-2:1399 0 AMB 15-1:1399 2.80 (# 1399:15 Double Ambig)
&rst
ixpk= 1399, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 362, 363, 362, 363,
igr2= 358, 382,
&end
#
# 0 AMB 15-2:1400 28 MET HN 4.50 (# 1400:15 Single Ambig)
&rst
ixpk= 1400, nxpk= 15, iat= -1, 417, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 386, 387, 386, 387,
&end
#
# 0 AMB 15-2:1401 40 VAL HN 3.50 (# 1401:15 Single Ambig)
&rst
ixpk= 1401, nxpk= 15, iat= -1, 605, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 609, 598, 599,
&end
#
# 37 SER HB- 37 SER HN 5.50 (# 1402:15 Unique 2.50, 3.22 A)
&rst
ixpk= 1402, nxpk= 15, iat= -1, 563, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 567, 568,
&end
#
# 0 AMB 15-2:1403 38 MET HN 5.50 (# 1403:15 Single Ambig)
&rst
ixpk= 1403, nxpk= 15, iat= -1, 574, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 902, 903, 550, 551,
&end
#
# 49 GLU HA 51 GLN HN 5.50 (# 1404:15 Unique 4.05, 4.40 A)
&rst
ixpk= 1404, nxpk= 15, iat= 756, 776, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 51 GLN HG- 52 TRP HN 5.50 (# 1405:15 Unique 4.01, 4.81 A)
&rst
ixpk= 1405, nxpk= 15, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 783, 784,
&end
#
# 45 PHE HD 54 GLY HN 5.50 (# 1406:15 Unique 3.87, 5.60 A)
&rst
ixpk= 1406, nxpk= 15, iat= -1, 831, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 689, 697,
&end
#
# 0 AMB 15-2:1408 55 CYS HN 5.50 (# 1408:15 Single Ambig)
&rst
ixpk= 1408, nxpk= 15, iat= -1, 838, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 660,2007,
&end
#
# 0 AMB 15-2:1410 93 THR HN 4.50 (# 1410:15 Single Ambig)
&rst
ixpk= 1410, nxpk= 15, iat= -1,1452, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1286,1287,1302,
&end
#
# 65 VAL MGX 66 ILE HN 4.50 (# 1411:15 Unique 2.52, 4.54 A)
&rst
ixpk= 1411, nxpk= 15, iat= -1,1009, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 999,1000,1001,1003,1004,1005,
&end
#
# 0 AMB 15-2:1412 67 PHE HN 5.50 (# 1412:15 Single Ambig)
&rst
ixpk= 1412, nxpk= 15, iat= -1,1028, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 778, 795, 717,
&end
#
# 53 THR MG2 67 PHE HN 5.50 (# 1413:15 Unique 4.47, 5.84 A)
&rst
ixpk= 1413, nxpk= 15, iat= -1,1028, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 823, 824, 825,
&end
#
# 0 AMB 15-2:1414 67 PHE HN 5.50 (# 1414:15 Single Ambig)
&rst
ixpk= 1414, nxpk= 15, iat= -1,1028, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1013,1645,1646,
&end
#
# 96 VAL MGX 77 ARG HN 5.50 (# 1415:15 Unique 3.99, 6.09 A)
&rst
ixpk= 1415, nxpk= 15, iat= -1,1188, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 96 VAL MGY 80 SER HN 5.50 (# 1416:15 Unique 3.72, 5.11 A)
&rst
ixpk= 1416, nxpk= 15, iat= -1,1250, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 79 VAL MGY 80 SER HN 4.50 (# 1417:15 Unique 2.22, 3.94 A)
&rst
ixpk= 1417, nxpk= 15, iat= -1,1250, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1240,1241,1242,1244,1245,1246,
&end
#
# 96 VAL MGX 81 GLU HN 4.50 (# 1418:15 Unique 3.53, 4.85 A)
&rst
ixpk= 1418, nxpk= 15, iat= -1,1261, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 82 LYS HG- 82 LYS HN 4.50 (# 1419:15 Unique 2.31, 3.50 A)
&rst
ixpk= 1419, nxpk= 15, iat= -1,1276, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1283,1284,
&end
#
# 0 AMB 15-2:1420 82 LYS HN 5.50 (# 1420:15 Single Ambig)
&rst
ixpk= 1420, nxpk= 15, iat= -1,1276, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1289,1290,1289,1290,
&end
#
# 83 ILE HG1+ 83 ILE HN 4.50 (# 1421:15 Unique 2.51, 3.53 A)
&rst
ixpk= 1421, nxpk= 15, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1308,1309,
&end
#
# 0 AMB 15-2:1422 83 ILE HN 4.50 (# 1422:15 Single Ambig)
&rst
ixpk= 1422, nxpk= 15, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1283,1284,1331,
&end
#
# 82 LYS HA 94 PHE HN 5.50 (# 1423:15 Unique 4.24, 4.46 A)
&rst
ixpk= 1423, nxpk= 15, iat=1278,1466, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 GLN HA 97 GLY HN 5.50 (# 1424:15 Unique 4.27, 4.49 A)
&rst
ixpk= 1424, nxpk= 15, iat=1605,1516, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1425 97 GLY HN 5.50 (# 1425:15 Single Ambig)
&rst
ixpk= 1425, nxpk= 15, iat= -1,1516, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1610,1611,1624,1625,
&end
#
# 79 VAL MGY 97 GLY HN 5.50 (# 1426:15 Unique 3.96, 5.96 A)
&rst
ixpk= 1426, nxpk= 15, iat= -1,1516, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1240,1241,1242,1244,1245,1246,
&end
#
# 96 VAL MGY 97 GLY HN 4.50 (# 1427:15 Unique 2.94, 4.46 A)
&rst
ixpk= 1427, nxpk= 15, iat= -1,1516, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 97 GLY HA+ 97 GLY HN 3.50 (# 1428:15 Unique 2.42, 2.74 A)
&rst
ixpk= 1428, nxpk= 15, iat= -1,1516, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1518,1519,
&end
#
# 80 SER HN 98 GLU HN 5.50 (# 1429:15 Unique 4.68, 4.94 A)
&rst
ixpk= 1429, nxpk= 15, iat=1250,1523, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1430 99 LEU HN 4.50 (# 1430:15 Single Ambig)
&rst
ixpk= 1430, nxpk= 15, iat= -1,1538, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1527,1528,1238,
&end
#
# 99 LEU HG 103 SER HN 5.50 (# 1431:15 Unique 4.06, 4.89 A)
&rst
ixpk= 1431, nxpk= 15, iat=1545,1592, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 5 ILE MG2 104 GLN HN 4.50 (# 1432:15 Unique 2.54, 4.20 A)
&rst
ixpk= 1432, nxpk= 15, iat= -1,1603, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 71, 72, 73,
&end
#
# 0 AMB 15-2:1433 104 GLN HN 5.50 (# 1433:15 Single Ambig)
&rst
ixpk= 1433, nxpk= 15, iat= -1,1603, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1527,1528,1624,1625, 69,1580,
&end
#
# 105 TYR HB- 106 LEU HN 3.50 (# 1434:15 Unique 2.25, 3.17 A)
&rst
ixpk= 1434, nxpk= 15, iat= -1,1641, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1624,1625,
&end
#
# 106 LEU MDY 106 LEU HN 5.50 (# 1435:15 Unique 3.18, 4.69 A)
&rst
ixpk= 1435, nxpk= 15, iat= -1,1641, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1650,1651,1652,1654,1655,1656,
&end
#
# 65 VAL HA 106 LEU HN 5.50 (# 1436:15 Unique 4.54, 4.76 A)
&rst
ixpk= 1436, nxpk= 15, iat= 995,1641, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1437 106 LEU HN 5.50 (# 1437:15 Single Ambig)
&rst
ixpk= 1437, nxpk= 15, iat= -1,1641, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 999,1000,1001,1003,1004,1005,1019,1020,
&end
#
# 0 AMB 15-2:1438 106 LEU HN 5.50 (# 1438:15 Single Ambig)
&rst
ixpk= 1438, nxpk= 15, iat= -1,1641, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1015,1016,1017,1019,1020,
&end
#
# 0 AMB 15-2:1439 106 LEU HN 5.50 (# 1439:15 Single Ambig)
&rst
ixpk= 1439, nxpk= 15, iat= -1,1641, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1516,1500,
&end
#
# 109 SER HA 109 SER HN 5.50 (# 1440:15 Unique 2.86, 2.90 A)
&rst
ixpk= 1440, nxpk= 15, iat=1684,1682, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1441 4 GLU HN 4.50 (# 1441:15 Single Ambig)
&rst
ixpk= 1441, nxpk= 15, iat= -1, 50, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 42, 43, 42, 43,
&end
#
# 111 MET HB+ 112 SER HN 4.50 (# 1442:15 Unique 2.19, 3.22 A)
&rst
ixpk= 1442, nxpk= 15, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1716,1717,
&end
#
# 0 AMB 15-2:1443 122 GLU HN 2.80 (# 1443:15 Single Ambig)
&rst
ixpk= 1443, nxpk= 15, iat= -1,1874, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1878,1879,1917,1918,
&end
#
# 0 AMB 15-2:1444 0 AMB 15-1:1444 4.50 (# 1444:15 Double Ambig)
&rst
ixpk= 1444, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2490,1913,
igr2=2476,1937,
&end
#
# 0 AMB 15-2:1445 126 LEU HN 4.50 (# 1445:15 Single Ambig)
&rst
ixpk= 1445, nxpk= 15, iat= -1,1937, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1944,1900,1901, 875, 876,
&end
#
# 0 AMB 15-2:1446 126 LEU HN 4.50 (# 1446:15 Single Ambig)
&rst
ixpk= 1446, nxpk= 15, iat= -1,1937, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1=1946,1947,1948,1950,1951,1952,1946,1947,1948,1950,
1951,1952, 878, 879, 880,
&end
#
# 135 LEU MDX 132 ARG HN 5.50 (# 1447:15 Unique 4.09, 6.03 A)
&rst
ixpk= 1447, nxpk= 15, iat= -1,2015, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2084,2085,2086,2088,2089,2090,
&end
#
# 137 LEU HA 137 LEU HN 3.50 (# 1448:15 Unique 2.18, 2.64 A)
&rst
ixpk= 1448, nxpk= 15, iat=2107,2105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1449 137 LEU HN 5.50 (# 1449:15 Single Ambig)
&rst
ixpk= 1449, nxpk= 15, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2019,2020,2128,2129,2128,2129,1383,1384,
&end
#
# 137 LEU HB- 137 LEU HN 3.50 (# 1450:15 Unique 2.21, 3.35 A)
&rst
ixpk= 1450, nxpk= 15, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2109,2110,
&end
#
# 0 AMB 15-2:1451 137 LEU HN 4.50 (# 1451:15 Single Ambig)
&rst
ixpk= 1451, nxpk= 15, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2022,2023,2019,2020,2131,2132,
&end
#
# 140 THR HB 141 ASN HN 5.50 (# 1454:15 Unique 3.82, 4.01 A)
&rst
ixpk= 1454, nxpk= 15, iat=2158,2168, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 141 ASN HB- 141 ASN HN 5.50 (# 1455:15 Unique 2.41, 2.87 A)
&rst
ixpk= 1455, nxpk= 15, iat= -1,2168, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2172,2173,
&end
#
# 141 ASN HB+ 141 ASN HN 5.50 (# 1456:15 Unique 2.41, 2.87 A)
&rst
ixpk= 1456, nxpk= 15, iat= -1,2168, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2172,2173,
&end
#
# 0 AMB 15-2:1457 123 GLY HN 5.50 (# 1457:15 Single Ambig)
&rst
ixpk= 1457, nxpk= 15, iat= -1,1889, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1900,1901,1844, 875, 876,1920,1921,1920,1921,
&end
#
# 152 LEU MDY 152 LEU HN 5.50 (# 1458:15 Unique 2.50, 5.11 A)
&rst
ixpk= 1458, nxpk= 15, iat= -1,2330, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2339,2340,2341,2343,2344,2345,
&end
#
# 20 PHE HA 22 GLU HN 5.50 (# 1459:15 Unique 3.85, 4.01 A)
&rst
ixpk= 1459, nxpk= 15, iat= 281, 314, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1460 0 AMB 15-1:1460 4.50 (# 1460:15 Double Ambig)
&rst
ixpk= 1460, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1268,1269,1866,1867,1350,1351,
igr2=1212,1840,1343,
&end
#
#
# 124 GLN HA 127 THR HN 5.50 (# 1462:15 Unique 3.31, 3.77 A)
&rst
ixpk= 1462, nxpk= 15, iat=1898,1956, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 152 LEU MDY 152 LEU HN 5.50 (# 1464:15 Unique 2.50, 5.11 A)
&rst
ixpk= 1464, nxpk= 15, iat= -1,2330, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2339,2340,2341,2343,2344,2345,
&end
#
# 125 ARG HA 129 ASP HN 5.50 (# 1465:15 Unique 3.70, 3.90 A)
&rst
ixpk= 1465, nxpk= 15, iat=1915,1982, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1466 129 ASP HN 5.50 (# 1466:15 Single Ambig)
&rst
ixpk= 1466, nxpk= 15, iat= -1,1982, r1= 0.00, r2= 1.80, r3= 8.20, r4= 8.95,
igr1=1920,1921,1920,1921,2022,2023,2009,2010,2011,1941,
1942,
&end
#
# 0 AMB 15-2:1467 150 ARG HN 5.50 (# 1467:15 Single Ambig)
&rst
ixpk= 1467, nxpk= 15, iat= -1,2296, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2339,2340,2341,2343,2344,2345,2339,2340,2341,2343,
2344,2345,
&end
#
# 150 ARG HA 150 ARG HN 5.50 (# 1468:15 Unique 2.26, 2.85 A)
&rst
ixpk= 1468, nxpk= 15, iat=2298,2296, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 THR MG2 60 TRP HN 5.50 (# 1469:15 Unique 4.61, 5.01 A)
&rst
ixpk= 1469, nxpk= 15, iat= -1, 912, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 890, 891, 892,
&end
#
# 0 AMB 15-2:1470 61 MET HN 5.50 (# 1470:15 Single Ambig)
&rst
ixpk= 1470, nxpk= 15, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1731, 908,1756,
&end
#
# 61 MET HB+ 61 MET HN 5.50 (# 1471:15 Unique 3.06, 3.64 A)
&rst
ixpk= 1471, nxpk= 15, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 940, 941,
&end
#
# 49 GLU HN 48 PHE HN 5.50 (# 1472:15 Unique 1.99, 3.60 A)
&rst
ixpk= 1472, nxpk= 15, iat= 754, 734, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1473 78 LYS HN 5.50 (# 1473:15 Single Ambig)
&rst
ixpk= 1473, nxpk= 15, iat= -1,1212, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1198,1199,1198,1199,1225,1226,1225,1226,
&end
#
# 0 AMB 15-2:1474 14 ALA HN 4.50 (# 1474:15 Single Ambig)
&rst
ixpk= 1474, nxpk= 15, iat= -1, 199, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 213, 214, 213, 214, 230,
&end
#
# 86 GLN HG+ 86 GLN HE2+ 4.50 (# 1475:15 Unique 2.24, 3.36 A)
&rst
ixpk= 1475, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1350,1351,
igr2=1355,1356,
&end
#
# 86 GLN HG- 86 GLN HE2- 5.50 (# 1476:15 Unique 2.24, 3.36 A)
&rst
ixpk= 1476, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1350,1351,
igr2=1355,1356,
&end
#
# 47 LEU MDY 48 PHE HN 4.50 (# 1477:15 Unique 3.26, 5.69 A)
&rst
ixpk= 1477, nxpk= 15, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 724, 725, 726, 728, 729, 730,
&end
#
# 0 AMB 15-2:1478 0 AMB 15-1:1478 3.50 (# 1478:15 Double Ambig)
&rst
ixpk= 1478, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 244,1741,1742,
igr2= 242,1729,
&end
#
# 21 GLU HA 22 GLU HN 5.50 (# 1479:15 Unique 3.57, 3.61 A)
&rst
ixpk= 1479, nxpk= 15, iat= 301, 314, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1480 0 AMB 15-1:1480 4.50 (# 1480:15 Double Ambig)
&rst
ixpk= 1480, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=2060,2050,2051,2052,1816,1817,2019,2020,
igr2=2056,1801,
&end
#
# 0 AMB 15-2:1481 124 GLN HE2- 5.50 (# 1481:15 Single Ambig)
&rst
ixpk= 1481, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1900,1901,1844,
igr2=1908,1909,
&end
#
# 0 AMB 15-2:1482 97 GLY HN 5.50 (# 1482:15 Single Ambig)
&rst
ixpk= 1482, nxpk= 15, iat= -1,1516, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1624,1625,1527,1528,1192,1193,
&end
#
# 102 VAL MGX 15 GLN HE2- 5.50 (# 1483:15 Unique 3.23, 5.75 A)
&rst
ixpk= 1483, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1582,1583,1584,1586,1587,1588,
igr2= 221, 222,
&end
#
# 51 GLN HE2- 51 GLN HN 5.50 (# 1484:15 Unique 3.16, 5.27 A)
&rst
ixpk= 1484, nxpk= 15, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 788, 789,
&end
#
# 17 GLN HA 17 GLN HE2- 5.50 (# 1485:15 Unique 4.64, 5.42 A)
&rst
ixpk= 1485, nxpk= 15, iat= 244, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 254, 255,
&end
#
# 17 GLN HA 17 GLN HE2+ 5.50 (# 1486:15 Unique 4.64, 5.42 A)
&rst
ixpk= 1486, nxpk= 15, iat= 244, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 254, 255,
&end
#
# 159 GLY HA- 159 GLY HN 5.50 (# 1487:15 Unique 2.28, 2.62 A)
&rst
ixpk= 1487, nxpk= 15, iat= -1,2454, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2456,2457,
&end
#
# 0 AMB 15-2:1488 159 GLY HN 5.50 (# 1488:15 Single Ambig)
&rst
ixpk= 1488, nxpk= 15, iat= -1,2454, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2445,2421,
&end
#
# 0 AMB 15-2:1489 157 ARG HN 5.50 (# 1489:15 Single Ambig)
&rst
ixpk= 1489, nxpk= 15, iat= -1,2419, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2399,2400,2423,2424,
&end
#
# 0 AMB 15-2:1490 157 ARG HN 5.50 (# 1490:15 Single Ambig)
&rst
ixpk= 1490, nxpk= 15, iat= -1,2419, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2399,2400,2423,2424,
&end
#
# 0 AMB 15-2:1491 154 PHE HN 5.50 (# 1491:15 Single Ambig)
&rst
ixpk= 1491, nxpk= 15, iat= -1,2368, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2353,2354,2334,2335,
&end
#
# 153 LEU HB- 154 PHE HN 5.50 (# 1492:15 Unique 2.59, 4.07 A)
&rst
ixpk= 1492, nxpk= 15, iat= -1,2368, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2353,2354,
&end
#
# 0 AMB 15-2:1493 154 PHE HN 5.50 (# 1493:15 Single Ambig)
&rst
ixpk= 1493, nxpk= 15, iat= -1,2368, r1= 0.00, r2= 1.80, r3= 8.43, r4= 9.18,
igr1=2358,2359,2360,2362,2363,2364,2358,2359,2360,2362,
2363,2364,2356,
&end
#
# 143 ASP HB- 144 VAL HN 5.50 (# 1494:15 Unique 2.76, 3.96 A)
&rst
ixpk= 1494, nxpk= 15, iat= -1,2208, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2200,2201,
&end
#
# 143 ASP HB+ 144 VAL HN 5.50 (# 1495:15 Unique 2.76, 3.96 A)
&rst
ixpk= 1495, nxpk= 15, iat= -1,2208, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2200,2201,
&end
#
# 126 LEU HA 127 THR HN 3.50 (# 1496:15 Unique 3.52, 3.55 A)
&rst
ixpk= 1496, nxpk= 15, iat=1939,1956, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1497 126 LEU HN 5.50 (# 1497:15 Single Ambig)
&rst
ixpk= 1497, nxpk= 15, iat= -1,1937, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1891,1892,1958,
&end
#
# 0 AMB 15-2:1498 126 LEU HN 5.50 (# 1498:15 Single Ambig)
&rst
ixpk= 1498, nxpk= 15, iat= -1,1937, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1891,1892,1861,
&end
#
# 0 AMB 15-2:1499 99 LEU HN 3.50 (# 1499:15 Single Ambig)
&rst
ixpk= 1499, nxpk= 15, iat= -1,1538, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1540,1594,
&end
#
# 0 AMB 15-2:1500 61 MET HN 5.50 (# 1500:15 Single Ambig)
&rst
ixpk= 1500, nxpk= 15, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 916, 917, 888,
&end
#
# 0 AMB 15-2:1501 130 CYS HN 5.50 (# 1501:15 Single Ambig)
&rst
ixpk= 1501, nxpk= 15, iat= -1,1994, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1958, 662, 663,
&end
#
# 0 AMB 15-2:1502 71 ASP HN 5.50 (# 1502:15 Single Ambig)
&rst
ixpk= 1502, nxpk= 15, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1076,1077,1073,1074,1073,1074,1102,1103,
&end
#
# 0 AMB 15-2:1503 71 ASP HN 5.50 (# 1503:15 Single Ambig)
&rst
ixpk= 1503, nxpk= 15, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1087,1088, 105, 106,
&end
#
# 62 LEU HN 111 MET HN 4.50 (# 1505:15 Unique 2.67, 3.02 A)
&rst
ixpk= 1505, nxpk= 15, iat= 953,1712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1506 115 SER HN 5.50 (# 1506:15 Single Ambig)
&rst
ixpk= 1506, nxpk= 15, iat= -1,1773, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1763,1764,1765,1767,1768,1769,1763,1764,1765,1767,
1768,1769,
&end
#
# 0 AMB 15-2:1507 45 PHE HN 5.50 (# 1507:15 Single Ambig)
&rst
ixpk= 1507, nxpk= 15, iat= -1, 681, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 691, 695, 177,
&end
#
# 115 SER HN 114 LEU HN 5.50 (# 1508:15 Unique 1.95, 3.11 A)
&rst
ixpk= 1508, nxpk= 15, iat=1773,1754, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 87 LEU HN 90 GLY HN 5.50 (# 1511:15 Unique 3.13, 3.45 A)
&rst
ixpk= 1511, nxpk= 15, iat=1360,1414, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 114 LEU HB- 115 SER HN 5.50 (# 1512:15 Unique 2.44, 4.16 A)
&rst
ixpk= 1512, nxpk= 15, iat= -1,1773, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1758,1759,
&end
#
# 114 LEU HG 114 LEU HN 5.50 (# 1513:15 Unique 2.33, 3.94 A)
&rst
ixpk= 1513, nxpk= 15, iat=1761,1754, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1514 114 LEU HN 5.50 (# 1514:15 Single Ambig)
&rst
ixpk= 1514, nxpk= 15, iat= -1,1754, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1763,1764,1765,1767,1768,1769,1763,1764,1765,1767,
1768,1769,
&end
#
# 94 PHE HE 94 PHE HN 5.50 (# 1515:15 Unique 4.99, 6.20 A)
&rst
ixpk= 1515, nxpk= 15, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1476,1480,
&end
#
# 99 LEU HG 100 ASP HN 5.50 (# 1517:15 Unique 2.80, 3.22 A)
&rst
ixpk= 1517, nxpk= 15, iat=1545,1557, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 156 ARG HB+ 156 ARG HN 5.50 (# 1518:15 Unique 2.54, 3.31 A)
&rst
ixpk= 1518, nxpk= 15, iat= -1,2395, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2399,2400,
&end
#
# 0 AMB 15-2:1519 156 ARG HN 5.50 (# 1519:15 Single Ambig)
&rst
ixpk= 1519, nxpk= 15, iat= -1,2395, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2402,2403,2402,2403,
&end
#
# 0 AMB 15-2:1521 51 GLN HN 5.50 (# 1521:15 Single Ambig)
&rst
ixpk= 1521, nxpk= 15, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 738, 739,1070,1071,1070,1071,
&end
#
# 0 AMB 15-2:1522 0 AMB 15-1:1522 2.80 (# 1522:15 Double Ambig)
&rst
ixpk= 1522, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2192, 419,
igr2=2196, 451,
&end
#
44 ASP HN 45 PHE HN 5.50 (# 1524:15 Unique 4.23, 4.42 A)
&rst
ixpk= 1524, nxpk= 15, iat= 669, 681, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 160 GLU HB+ 160 GLU HN 2.80 (# 1526:15 Unique 2.34, 3.00 A)
&rst
ixpk= 1526, nxpk= 15, iat= -1,2461, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2465,2466,
&end
#
# 138 PRO HD+ 137 LEU HN 5.50 (# 1527:15 Unique 2.26, 3.34 A)
&rst
ixpk= 1527, nxpk= 15, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2125,2126,
&end
#
# 0 AMB 15-2:1530 62 LEU HN 4.50 (# 1530:15 Single Ambig)
&rst
ixpk= 1530, nxpk= 15, iat= -1, 953, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 957, 958,1744,1745,
&end
#
# 0 AMB 15-2:1531 0 AMB 15-1:1531 4.50 (# 1531:15 Double Ambig)
&rst
ixpk= 1531, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1116,1117,1697,1698,1697,1698,
igr2=1112, 953,
&end
#
# 62 LEU HB- 62 LEU HN 4.50 (# 1532:15 Unique 2.61, 2.96 A)
&rst
ixpk= 1532, nxpk= 15, iat= -1, 953, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 957, 958,
&end
#
# 111 MET HB+ 111 MET HN 3.50 (# 1536:15 Unique 2.56, 3.47 A)
&rst
ixpk= 1536, nxpk= 15, iat= -1,1712, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1716,1717,
&end
#
# 0 AMB 15-2:1539 7 GLY HN 5.50 (# 1539:15 Single Ambig)
&rst
ixpk= 1539, nxpk= 15, iat= -1, 94, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1099,1100,1099,1100,
&end
#
# 0 AMB 15-2:1540 115 SER HN 2.80 (# 1540:15 Single Ambig)
&rst
ixpk= 1540, nxpk= 15, iat= -1,1773, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1756, 908,
&end
#
# 118 MET HG+ 123 GLY HN 5.50 (# 1541:15 Unique 3.20, 5.47 A)
&rst
ixpk= 1541, nxpk= 15, iat= -1,1889, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1819,1820,
&end
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