NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
491642 |
2jtr   |
cing | 1-original | 4 | AMBER | distance | NOE | ambi |
#
# 0 AMB 60-2:7 13 TYR HD 3.50 (# 7:60 Single Ambig)
&rst
ixpk= 7, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1= 286, 373,
igr2= 211, 220,
&end
#
# 13 TYR HE 13 TYR HD 5.50 (# 8:60 Unique 2.46, 3.69 A)
&rst
ixpk= 8, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 213, 218,
igr2= 211, 220,
&end
#
# 0 AMB 60-2:10 13 TYR HD 4.50 (# 10:60 Single Ambig)
&rst
ixpk= 10, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 93, 94, 207, 208,
igr2= 211, 220,
&end
#
# 0 AMB 60-2:11 66 TYR HD 5.50 (# 11:60 Single Ambig)
&rst
ixpk= 11, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2=1032,1041,
&end
#
# 66 TYR HB- 66 TYR HD 4.50 (# 12:60 Unique 2.31, 3.06 A)
&rst
ixpk= 12, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1028,1029,
igr2=1032,1041,
&end
#
# 66 TYR HB+ 66 TYR HD 5.50 (# 13:60 Unique 2.31, 3.06 A)
&rst
ixpk= 13, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1028,1029,
igr2=1032,1041,
&end
#
# 40 LYS HA 66 TYR HD 5.50 (# 14:60 Unique 1.99, 4.20 A)
&rst
ixpk= 14, nxpk= 60, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1032,1041,
&end
#
# 66 TYR HE 66 TYR HD 3.50 (# 15:60 Unique 2.46, 3.69 A)
&rst
ixpk= 15, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1034,1039,
igr2=1032,1041,
&end
#
# 66 TYR HN 66 TYR HD 4.50 (# 16:60 Unique 2.12, 3.55 A)
&rst
ixpk= 16, nxpk= 60, iat=1024, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1032,1041,
&end
#
# 4 TRP HB- 4 TRP HD1 4.50 (# 21:60 Unique 2.55, 3.18 A)
&rst
ixpk= 21, nxpk= 60, iat= -1, 54, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 50, 51,
&end
#
# 0 AMB 60-2:22 4 TRP HD1 5.50 (# 22:60 Single Ambig)
&rst
ixpk= 22, nxpk= 60, iat= -1, 54, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 334, 335, 336, 18, 19,
&end
#
# 4 TRP HE1 4 TRP HD1 4.50 (# 24:60 Unique 2.57, 2.57 A)
&rst
ixpk= 24, nxpk= 60, iat= 56, 54, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 4 TRP HN 4 TRP HD1 5.50 (# 25:60 Unique 2.51, 3.18 A)
&rst
ixpk= 25, nxpk= 60, iat= 46, 54, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 ILE QG2 4 TRP HH2 4.50 (# 26:60 Unique 2.00, 3.93 A)
&rst
ixpk= 26, nxpk= 60, iat= -1, 61, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1204,1205,1206,
&end
#
# 0 AMB 60-2:27 4 TRP HH2 4.50 (# 27:60 Single Ambig)
&rst
ixpk= 27, nxpk= 60, iat= -1, 61, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1234,1235,1125,1126,1127,
&end
#
# 4 TRP HZ3 4 TRP HH2 3.50 (# 28:60 Unique 2.44, 2.44 A)
&rst
ixpk= 28, nxpk= 60, iat= 63, 61, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 4 TRP HZ2 4 TRP HH2 2.80 (# 29:60 Unique 2.46, 2.46 A)
&rst
ixpk= 29, nxpk= 60, iat= 59, 61, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 60-2:30 4 TRP HZ3 5.50 (# 30:60 Single Ambig)
&rst
ixpk= 30, nxpk= 60, iat= -1, 63, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 716, 717, 716, 717,1211,1212,1213,
&end
#
# 4 TRP HE3 4 TRP HZ3 4.50 (# 31:60 Unique 2.46, 2.46 A)
&rst
ixpk= 31, nxpk= 60, iat= 65, 63, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 4 TRP HH2 4 TRP HZ3 4.50 (# 32:60 Unique 2.44, 2.44 A)
&rst
ixpk= 32, nxpk= 60, iat= 61, 63, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 60-2:33 4 TRP HZ3 4.50 (# 33:60 Single Ambig)
&rst
ixpk= 33, nxpk= 60, iat= -1, 63, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1125,1126,1127,1202,
&end
#
# 41 ASN HA 68 HIS HD2 5.50 (# 39:60 Unique 2.73, 3.83 A)
&rst
ixpk= 39, nxpk= 60, iat= 658,1072, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 4 TRP HB+ 4 TRP HE3 5.50 (# 40:60 Unique 2.41, 3.44 A)
&rst
ixpk= 40, nxpk= 60, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 50, 51,
&end
#
# 18 VAL MGX 4 TRP HE3 5.50 (# 41:60 Unique 3.15, 5.65 A)
&rst
ixpk= 41, nxpk= 60, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 296, 297, 298, 300, 301, 302,
&end
#
# 4 TRP HZ3 4 TRP HE3 5.50 (# 42:60 Unique 2.46, 2.46 A)
&rst
ixpk= 42, nxpk= 60, iat= 63, 65, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 60-2:44 66 TYR HE 3.50 (# 44:60 Single Ambig)
&rst
ixpk= 44, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 549, 550, 598, 599, 600, 602, 603, 604,
igr2=1034,1039,
&end
#
# 37 VAL HB 66 TYR HE 4.50 (# 45:60 Unique 2.73, 4.57 A)
&rst
ixpk= 45, nxpk= 60, iat= 596, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1034,1039,
&end
#
# 33 ILE QG2 66 TYR HE 4.50 (# 46:60 Unique 2.10, 5.37 A)
&rst
ixpk= 46, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 545, 546, 547,
igr2=1034,1039,
&end
#
# 64 MET ME 66 TYR HE 5.50 (# 47:60 Unique 3.65, 6.74 A)
&rst
ixpk= 47, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1011,1012,1013,
igr2=1034,1039,
&end
#
# 0 AMB 60-2:48 0 AMB 60-1:48 2.80 (# 48:60 Double Ambig)
&rst
ixpk= 48, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1032,1041, 368, 369,
igr2=1034,1039, 213, 218,
&end
#
# 6 ASP HN 13 TYR HE 5.50 (# 49:60 Unique 3.10, 5.85 A)
&rst
ixpk= 49, nxpk= 60, iat= 89, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 213, 218,
&end
#
# 80 MET HG- 4 TRP HZ2 5.50 (# 51:60 Unique 2.00, 5.01 A)
&rst
ixpk= 51, nxpk= 60, iat= -1, 59, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1234,1235,
&end
#
# 4 TRP HH2 4 TRP HZ2 3.50 (# 52:60 Unique 2.46, 2.46 A)
&rst
ixpk= 52, nxpk= 60, iat= 61, 59, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 4 TRP HE1 4 TRP HZ2 4.50 (# 53:60 Unique 2.82, 2.82 A)
&rst
ixpk= 53, nxpk= 60, iat= 56, 59, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1 67 THR HB 2.80 (# 1:20 Single Ambig)
&rst
ixpk= 1, nxpk= 20, iat= -1,1049, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1=1055,1051,1052,1053,
&end
#
# 0 AMB 20-2:2 43 THR HB 4.50 (# 2:20 Single Ambig)
&rst
ixpk= 2, nxpk= 20, iat= -1, 686, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 21, 22, 21, 22,
&end
#
# 0 AMB 20-2:3 43 THR HB 4.50 (# 3:20 Single Ambig)
&rst
ixpk= 3, nxpk= 20, iat= -1, 686, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 18, 19, 18, 19,
&end
#
# 0 AMB 20-2:4 43 THR HB 3.50 (# 4:20 Single Ambig)
&rst
ixpk= 4, nxpk= 20, iat= -1, 686, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 692, 688, 689, 690,
&end
#
# 43 THR HN 43 THR HB 3.50 (# 5:20 Unique 2.61, 2.71 A)
&rst
ixpk= 5, nxpk= 20, iat= 682, 686, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 2 GLU HA 43 THR HB 3.50 (# 6:20 Unique 3.16, 3.43 A)
&rst
ixpk= 6, nxpk= 20, iat= 16, 686, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 THR HN 35 THR HB 3.50 (# 8:20 Unique 2.70, 2.95 A)
&rst
ixpk= 8, nxpk= 20, iat= 568, 572, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:9 35 THR HB 3.50 (# 9:20 Single Ambig)
&rst
ixpk= 9, nxpk= 20, iat= -1, 572, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 578, 574, 575, 576,
&end
#
# 32 ARG HB- 29 VAL HA 5.50 (# 10:20 Unique 2.00, 3.03 A)
&rst
ixpk= 10, nxpk= 20, iat= -1, 464, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 519, 520,
&end
#
# 0 AMB 20-2:11 29 VAL HA 4.50 (# 11:20 Single Ambig)
&rst
ixpk= 11, nxpk= 20, iat= -1, 464, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 539, 447,
&end
#
# 29 VAL HN 29 VAL HA 3.50 (# 12:20 Unique 2.89, 2.92 A)
&rst
ixpk= 12, nxpk= 20, iat= 462, 464, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 VAL HB 29 VAL HA 3.50 (# 13:20 Unique 2.46, 2.53 A)
&rst
ixpk= 13, nxpk= 20, iat= 466, 464, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 ARG HB+ 29 VAL HA 4.50 (# 14:20 Unique 2.00, 3.03 A)
&rst
ixpk= 14, nxpk= 20, iat= -1, 464, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 519, 520,
&end
#
# 29 VAL MGY 29 VAL HA 3.50 (# 15:20 Unique 2.12, 3.43 A)
&rst
ixpk= 15, nxpk= 20, iat= -1, 464, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL MGX 29 VAL HA 3.50 (# 16:20 Unique 2.12, 3.43 A)
&rst
ixpk= 16, nxpk= 20, iat= -1, 464, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 468, 469, 470, 472, 473, 474,
&end
#
# 24 ILE QG2 29 VAL HA 2.80 (# 17:20 Unique 2.02, 2.65 A)
&rst
ixpk= 17, nxpk= 20, iat= -1, 464, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 379, 380, 381,
&end
#
# 23 ASN HD2+ 10 PRO HA 4.50 (# 18:20 Unique 1.94, 2.79 A)
&rst
ixpk= 18, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 368, 369,
&end
#
# 10 PRO HB+ 10 PRO HA 3.50 (# 19:20 Unique 2.30, 2.51 A)
&rst
ixpk= 19, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 164, 165,
&end
#
# 0 AMB 20-2:20 10 PRO HA 5.50 (# 20:20 Single Ambig)
&rst
ixpk= 20, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 399, 400, 161, 162, 161, 162,
&end
#
# 25 PRO HG- 10 PRO HA 4.50 (# 21:20 Unique 2.37, 4.17 A)
&rst
ixpk= 21, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 396, 397,
&end
#
# 13 TYR HB- 10 PRO HA 4.50 (# 22:20 Unique 2.50, 3.07 A)
&rst
ixpk= 22, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 207, 208,
&end
#
# 60 ILE HN 60 ILE HA 3.50 (# 23:20 Unique 2.76, 2.81 A)
&rst
ixpk= 23, nxpk= 20, iat= 936, 938, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:24 60 ILE HA 3.50 (# 24:20 Single Ambig)
&rst
ixpk= 24, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 989, 990, 989, 990,
&end
#
# 60 ILE HB 60 ILE HA 3.50 (# 25:20 Unique 2.37, 2.45 A)
&rst
ixpk= 25, nxpk= 20, iat= 940, 938, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 ILE HG1+ 60 ILE HA 3.50 (# 26:20 Unique 3.67, 3.71 A)
&rst
ixpk= 26, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 946, 947,
&end
#
# 60 ILE QD1 60 ILE HA 4.50 (# 27:20 Unique 4.60, 5.08 A)
&rst
ixpk= 27, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 949, 950, 951,
&end
#
# 34 ALA HA 38 PRO HA 4.50 (# 28:20 Unique 3.08, 4.14 A)
&rst
ixpk= 28, nxpk= 20, iat= 560, 618, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 PRO HB- 38 PRO HA 3.50 (# 29:20 Unique 2.30, 2.51 A)
&rst
ixpk= 29, nxpk= 20, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 615, 616,
&end
#
# 35 THR HN 35 THR HA 3.50 (# 30:20 Unique 2.76, 2.92 A)
&rst
ixpk= 30, nxpk= 20, iat= 568, 570, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 19 GLN HN 18 VAL HA 2.80 (# 31:20 Unique 2.14, 2.20 A)
&rst
ixpk= 31, nxpk= 20, iat= 306, 292, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 82 LYS HA 18 VAL HA 3.50 (# 32:20 Unique 2.10, 2.87 A)
&rst
ixpk= 32, nxpk= 20, iat=1260, 292, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:33 18 VAL HA 3.50 (# 33:20 Single Ambig)
&rst
ixpk= 33, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1262,1263, 294,
&end
#
# 18 VAL MGY 18 VAL HA 2.80 (# 34:20 Unique 2.20, 3.12 A)
&rst
ixpk= 34, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 296, 297, 298, 300, 301, 302,
&end
#
# 82 LYS HG+ 18 VAL HA 4.50 (# 35:20 Unique 2.00, 3.84 A)
&rst
ixpk= 35, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1265,1266,
&end
#
# 82 LYS HG- 18 VAL HA 4.50 (# 36:20 Unique 2.00, 3.84 A)
&rst
ixpk= 36, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1265,1266,
&end
#
# 82 LYS HN 81 PRO HA 2.80 (# 37:20 Unique 2.28, 2.38 A)
&rst
ixpk= 37, nxpk= 20, iat=1258,1254, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:38 81 PRO HA 4.50 (# 38:20 Single Ambig)
&rst
ixpk= 38, nxpk= 20, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1248,1249,1248,1249,
&end
#
# 81 PRO HB- 81 PRO HA 3.50 (# 39:20 Unique 2.30, 2.51 A)
&rst
ixpk= 39, nxpk= 20, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1251,1252,
&end
#
# 67 THR HN 67 THR HA 4.50 (# 40:20 Unique 2.79, 2.90 A)
&rst
ixpk= 40, nxpk= 20, iat=1045,1047, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:41 0 AMB 20-1:41 2.80 (# 41:20 Double Ambig)
&rst
ixpk= 41, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1051,1052,1053,1055,
igr2=1047, 978, 979,
&end
#
# 62 SER HN 0 AMB 20-1:42 4.50 (# 42:20 Single Ambig)
&rst
ixpk= 42, nxpk= 20, iat= 974, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 978, 979, 978, 979,
&end
#
# 62 SER HN 0 AMB 20-1:43 4.50 (# 43:20 Single Ambig)
&rst
ixpk= 43, nxpk= 20, iat= 974, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 978, 979, 978, 979,
&end
#
# 62 SER HA 0 AMB 20-1:44 3.50 (# 44:20 Single Ambig)
&rst
ixpk= 44, nxpk= 20, iat= 976, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 978, 979, 978, 979,
&end
#
# 62 SER HA 0 AMB 20-1:45 3.50 (# 45:20 Single Ambig)
&rst
ixpk= 45, nxpk= 20, iat= 976, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 978, 979, 978, 979,
&end
#
# 33 ILE HN 33 ILE HA 3.50 (# 46:20 Unique 2.76, 2.87 A)
&rst
ixpk= 46, nxpk= 20, iat= 539, 541, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 78 ILE HN 78 ILE HA 4.50 (# 47:20 Unique 2.75, 2.80 A)
&rst
ixpk= 47, nxpk= 20, iat=1198,1200, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 ILE QG2 78 ILE HA 3.50 (# 48:20 Unique 2.33, 3.10 A)
&rst
ixpk= 48, nxpk= 20, iat= -1,1200, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1204,1205,1206,
&end
#
# 79 ALA HN 78 ILE HA 3.50 (# 49:20 Unique 2.14, 2.20 A)
&rst
ixpk= 49, nxpk= 20, iat=1217,1200, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 78 ILE HG1- 78 ILE HA 3.50 (# 50:20 Unique 2.37, 2.83 A)
&rst
ixpk= 50, nxpk= 20, iat= -1,1200, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1208,1209,
&end
#
# 0 AMB 20-2:51 78 ILE HA 3.50 (# 51:20 Single Ambig)
&rst
ixpk= 51, nxpk= 20, iat= -1,1200, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1202,1125,1126,1127,1234,1235,
&end
#
# 0 AMB 20-2:52 0 AMB 20-1:52 3.50 (# 52:20 Double Ambig)
&rst
ixpk= 52, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.10, r4= 6.85,
igr1=1208,1209, 468, 469, 470, 472, 473, 474, 415, 416,
417, 419, 420, 421,
igr2=1200, 402,
&end
#
# 62 SER HN 62 SER HA 4.50 (# 53:20 Unique 2.78, 2.85 A)
&rst
ixpk= 53, nxpk= 20, iat= 974, 976, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 TYR HN 62 SER HA 5.50 (# 54:20 Unique 2.18, 3.61 A)
&rst
ixpk= 54, nxpk= 20, iat=1024, 976, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 ALA HN 33 ILE HA 4.50 (# 55:20 Unique 2.83, 3.72 A)
&rst
ixpk= 55, nxpk= 20, iat= 582, 541, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:56 0 AMB 20-1:56 2.80 (# 56:20 Double Ambig)
&rst
ixpk= 56, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1208,1209, 543,
igr2=1200, 541,
&end
#
# 0 AMB 20-2:57 33 ILE HA 2.80 (# 57:20 Single Ambig)
&rst
ixpk= 57, nxpk= 20, iat= -1, 541, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 586, 587, 588, 549, 550,
&end
#
# 0 AMB 20-2:58 0 AMB 20-1:58 3.50 (# 58:20 Double Ambig)
&rst
ixpk= 58, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.27, r4= 7.02,
igr1= 545, 546, 547, 415, 416, 417, 419, 420, 421,1231,
1232,
igr2= 541, 402,1200,
&end
#
# 0 AMB 20-2:59 33 ILE HA 3.50 (# 59:20 Single Ambig)
&rst
ixpk= 59, nxpk= 20, iat= -1, 541, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 549, 550, 598, 599, 600, 602, 603, 604,
&end
#
# 0 AMB 20-2:60 0 AMB 20-1:60 2.80 (# 60:20 Double Ambig)
&rst
ixpk= 60, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 552, 553, 554,1204,1205,1206,
igr2= 541,1200,
&end
#
# 26 LEU HN 25 PRO HA 2.80 (# 61:20 Unique 2.25, 2.32 A)
&rst
ixpk= 61, nxpk= 20, iat= 406, 402, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 7 VAL HA 25 PRO HA 4.50 (# 62:20 Unique 2.02, 2.45 A)
&rst
ixpk= 62, nxpk= 20, iat= 103, 402, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:63 25 PRO HA 5.50 (# 63:20 Single Ambig)
&rst
ixpk= 63, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 105, 844, 845,
&end
#
# 25 PRO HB+ 25 PRO HA 3.50 (# 64:20 Unique 2.30, 2.51 A)
&rst
ixpk= 64, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 399, 400,
&end
#
# 25 PRO HB- 25 PRO HA 3.50 (# 65:20 Unique 2.30, 2.51 A)
&rst
ixpk= 65, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 399, 400,
&end
#
# 3 HIS HN 44 VAL HA 4.50 (# 66:20 Unique 3.60, 4.24 A)
&rst
ixpk= 66, nxpk= 20, iat= 29, 698, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:67 44 VAL HA 2.80 (# 67:20 Single Ambig)
&rst
ixpk= 67, nxpk= 20, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 712, 696,
&end
#
# 17 HIS HB+ 13 TYR HA 5.50 (# 68:20 Unique 2.95, 4.37 A)
&rst
ixpk= 68, nxpk= 20, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 277, 278,
&end
#
# 0 AMB 20-2:70 13 TYR HA 4.50 (# 70:20 Single Ambig)
&rst
ixpk= 70, nxpk= 20, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 286, 186, 373,
&end
#
# 13 TYR HN 13 TYR HA 3.50 (# 71:20 Unique 2.75, 2.76 A)
&rst
ixpk= 71, nxpk= 20, iat= 203, 205, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 13 TYR HB+ 13 TYR HA 4.50 (# 72:20 Unique 2.32, 2.71 A)
&rst
ixpk= 72, nxpk= 20, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 207, 208,
&end
#
# 13 TYR HB- 13 TYR HA 3.50 (# 73:20 Unique 2.32, 2.71 A)
&rst
ixpk= 73, nxpk= 20, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 207, 208,
&end
#
# 57 ALA MB 54 SER HA 4.50 (# 74:20 Unique 2.48, 3.99 A)
&rst
ixpk= 74, nxpk= 20, iat= -1, 856, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 893, 894, 895,
&end
#
# 7 VAL MGX 0 AMB 20-1:75 3.50 (# 75:20 Single Ambig)
&rst
ixpk= 75, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 856, 858, 859,
&end
#
# 9 VAL HN 9 VAL HA 4.50 (# 76:20 Unique 2.71, 2.73 A)
&rst
ixpk= 76, nxpk= 20, iat= 141, 143, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:77 9 VAL HA 2.80 (# 77:20 Single Ambig)
&rst
ixpk= 77, nxpk= 20, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 158, 159, 158, 159,
&end
#
# 9 VAL HB 9 VAL HA 3.50 (# 78:20 Unique 2.57, 2.58 A)
&rst
ixpk= 78, nxpk= 20, iat= 145, 143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 25 PRO HB+ 9 VAL HA 3.50 (# 79:20 Unique 2.07, 2.75 A)
&rst
ixpk= 79, nxpk= 20, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 399, 400,
&end
#
# 25 PRO HG- 9 VAL HA 4.50 (# 80:20 Unique 3.54, 4.27 A)
&rst
ixpk= 80, nxpk= 20, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 396, 397,
&end
#
# 9 VAL MGY 9 VAL HA 3.50 (# 81:20 Unique 2.10, 3.39 A)
&rst
ixpk= 81, nxpk= 20, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 9 VAL MGX 9 VAL HA 4.50 (# 82:20 Unique 2.10, 3.39 A)
&rst
ixpk= 82, nxpk= 20, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 30 LYS HN 30 LYS HA 3.50 (# 83:20 Unique 2.71, 2.81 A)
&rst
ixpk= 83, nxpk= 20, iat= 478, 480, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:84 30 LYS HA 2.80 (# 84:20 Single Ambig)
&rst
ixpk= 84, nxpk= 20, iat= -1, 480, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 482, 483, 482, 483,
&end
#
# 30 LYS HG- 30 LYS HA 3.50 (# 85:20 Unique 2.04, 2.73 A)
&rst
ixpk= 85, nxpk= 20, iat= -1, 480, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 485, 486,
&end
#
# 11 GLU HN 11 GLU HA 3.50 (# 86:20 Unique 2.91, 2.92 A)
&rst
ixpk= 86, nxpk= 20, iat= 171, 173, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:87 11 GLU HA 2.80 (# 87:20 Single Ambig)
&rst
ixpk= 87, nxpk= 20, iat= -1, 173, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 178, 179, 178, 179,
&end
#
# 0 AMB 20-2:88 11 GLU HA 2.80 (# 88:20 Single Ambig)
&rst
ixpk= 88, nxpk= 20, iat= -1, 173, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 175, 176, 175, 176,
&end
#
# 0 AMB 20-2:89 0 AMB 20-1:89 3.50 (# 89:20 Double Ambig)
&rst
ixpk= 89, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1=1011,1012,1013, 903, 904,
igr2= 480, 901,
&end
#
# 0 AMB 20-2:90 7 VAL HA 3.50 (# 90:20 Single Ambig)
&rst
ixpk= 90, nxpk= 20, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 406, 117,
&end
#
# 0 AMB 20-2:91 7 VAL HA 3.50 (# 91:20 Single Ambig)
&rst
ixpk= 91, nxpk= 20, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 101, 373,
&end
#
# 25 PRO HA 7 VAL HA 3.50 (# 92:20 Unique 2.02, 2.45 A)
&rst
ixpk= 92, nxpk= 20, iat= 402, 103, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 7 VAL HB 7 VAL HA 3.50 (# 93:20 Unique 2.45, 2.72 A)
&rst
ixpk= 93, nxpk= 20, iat= 105, 103, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 7 VAL MGY 7 VAL HA 2.80 (# 94:20 Unique 2.23, 3.30 A)
&rst
ixpk= 94, nxpk= 20, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 7 VAL MGX 7 VAL HA 3.50 (# 95:20 Unique 2.23, 3.30 A)
&rst
ixpk= 95, nxpk= 20, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 69 VAL HN 69 VAL HA 4.50 (# 96:20 Unique 2.89, 2.93 A)
&rst
ixpk= 96, nxpk= 20, iat=1076,1078, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 70 GLU HN 69 VAL HA 2.80 (# 97:20 Unique 2.14, 2.17 A)
&rst
ixpk= 97, nxpk= 20, iat=1092,1078, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 44 VAL HN 69 VAL HA 3.50 (# 98:20 Unique 3.39, 3.50 A)
&rst
ixpk= 98, nxpk= 20, iat= 696,1078, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:99 69 VAL HA 3.50 (# 99:20 Single Ambig)
&rst
ixpk= 99, nxpk= 20, iat= -1,1078, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1080, 700,
&end
#
# 0 AMB 20-2:100 69 VAL HA 2.80 (# 100:20 Single Ambig)
&rst
ixpk= 100, nxpk= 20, iat= -1,1078, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 58 LYS HN 58 LYS HA 3.50 (# 101:20 Unique 2.76, 2.81 A)
&rst
ixpk= 101, nxpk= 20, iat= 899, 901, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:102 0 AMB 20-1:102 2.80 (# 102:20 Double Ambig)
&rst
ixpk= 102, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 485, 486, 903, 904,
igr2= 480, 901,
&end
#
# 0 AMB 20-2:103 0 AMB 20-1:103 2.80 (# 103:20 Double Ambig)
&rst
ixpk= 103, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088, 949, 950, 951,
igr2= 901, 480,
&end
#
# 61 LEU MDX 58 LYS HA 4.50 (# 104:20 Unique 2.00, 4.39 A)
&rst
ixpk= 104, nxpk= 20, iat= -1, 901, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:105 58 LYS HA 3.50 (# 105:20 Single Ambig)
&rst
ixpk= 105, nxpk= 20, iat= -1, 901, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 906, 907, 906, 907, 959, 960,
&end
#
# 83 VAL HN 83 VAL HA 4.50 (# 106:20 Unique 2.90, 2.94 A)
&rst
ixpk= 106, nxpk= 20, iat=1280,1282, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 84 LYS HN 83 VAL HA 2.80 (# 107:20 Unique 2.14, 2.24 A)
&rst
ixpk= 107, nxpk= 20, iat=1296,1282, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:108 83 VAL HA 3.50 (# 108:20 Single Ambig)
&rst
ixpk= 108, nxpk= 20, iat= -1,1282, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1284,1303,1304,
&end
#
# 83 VAL MGY 83 VAL HA 3.50 (# 109:20 Unique 2.17, 3.45 A)
&rst
ixpk= 109, nxpk= 20, iat= -1,1282, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 66 TYR HN 66 TYR HA 4.50 (# 110:20 Unique 2.76, 2.87 A)
&rst
ixpk= 110, nxpk= 20, iat=1024,1026, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 67 THR HN 66 TYR HA 3.50 (# 111:20 Unique 2.14, 2.32 A)
&rst
ixpk= 111, nxpk= 20, iat=1045,1026, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 TYR HB+ 66 TYR HA 4.50 (# 112:20 Unique 2.34, 2.71 A)
&rst
ixpk= 112, nxpk= 20, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1028,1029,
&end
#
# 66 TYR HB- 66 TYR HA 4.50 (# 113:20 Unique 2.34, 2.71 A)
&rst
ixpk= 113, nxpk= 20, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1028,1029,
&end
#
# 40 LYS HB+ 66 TYR HA 3.50 (# 114:20 Unique 2.00, 3.07 A)
&rst
ixpk= 114, nxpk= 20, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 638, 639,
&end
#
# 40 LYS HB- 66 TYR HA 5.50 (# 115:20 Unique 2.00, 3.07 A)
&rst
ixpk= 115, nxpk= 20, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 638, 639,
&end
#
# 0 AMB 20-2:116 52 ARG HA 4.50 (# 116:20 Single Ambig)
&rst
ixpk= 116, nxpk= 20, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 813, 854,
&end
#
# 52 ARG HG- 52 ARG HA 3.50 (# 117:20 Unique 2.20, 2.92 A)
&rst
ixpk= 117, nxpk= 20, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 820, 821,
&end
#
# 0 AMB 20-2:118 0 AMB 20-1:118 3.50 (# 118:20 Double Ambig)
&rst
ixpk= 118, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 849, 850, 921, 872,
igr2= 839, 923,
&end
#
# 53 GLN HN 52 ARG HA 3.50 (# 119:20 Unique 3.38, 3.56 A)
&rst
ixpk= 119, nxpk= 20, iat= 837, 815, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 ILE HB 22 ILE HA 3.50 (# 120:20 Unique 2.49, 2.52 A)
&rst
ixpk= 120, nxpk= 20, iat= 344, 342, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 ILE HG1+ 22 ILE HA 5.50 (# 121:20 Unique 2.19, 2.79 A)
&rst
ixpk= 121, nxpk= 20, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 350, 351,
&end
#
# 0 AMB 20-2:122 22 ILE HA 3.50 (# 122:20 Single Ambig)
&rst
ixpk= 122, nxpk= 20, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 346, 347, 348, 353, 354, 355,
&end
#
# 0 AMB 20-2:123 52 ARG HA 2.80 (# 123:20 Single Ambig)
&rst
ixpk= 123, nxpk= 20, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 817, 818, 817, 818,
&end
#
# 0 AMB 20-2:124 0 AMB 20-1:124 2.80 (# 124:20 Double Ambig)
&rst
ixpk= 124, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 925, 926, 925, 926, 841, 842, 841, 842, 989, 990,
989, 990,
igr2= 923, 839, 987,
&end
#
# 0 AMB 20-2:125 0 AMB 20-1:125 3.50 (# 125:20 Double Ambig)
&rst
ixpk= 125, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 928, 929, 992, 993,
igr2= 923, 987,
&end
#
# 63 GLU HN 63 GLU HA 3.50 (# 128:20 Unique 2.76, 2.84 A)
&rst
ixpk= 128, nxpk= 20, iat= 985, 987, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 64 MET HN 63 GLU HA 4.50 (# 129:20 Unique 3.32, 3.52 A)
&rst
ixpk= 129, nxpk= 20, iat=1000, 987, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:130 56 GLN HA 3.50 (# 130:20 Single Ambig)
&rst
ixpk= 130, nxpk= 20, iat= -1, 874, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 884, 885, 872,
&end
#
# 0 AMB 20-2:131 56 GLN HA 2.80 (# 131:20 Single Ambig)
&rst
ixpk= 131, nxpk= 20, iat= -1, 874, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 879, 880, 879, 880,
&end
#
# 56 GLN HB- 56 GLN HA 2.80 (# 132:20 Unique 2.41, 2.80 A)
&rst
ixpk= 132, nxpk= 20, iat= -1, 874, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 876, 877,
&end
#
# 15 GLN HN 15 GLN HA 3.50 (# 133:20 Unique 2.75, 2.88 A)
&rst
ixpk= 133, nxpk= 20, iat= 241, 243, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 15 GLN HG+ 15 GLN HA 4.50 (# 134:20 Unique 2.03, 3.07 A)
&rst
ixpk= 134, nxpk= 20, iat= -1, 243, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 248, 249,
&end
#
# 0 AMB 20-2:135 15 GLN HA 2.80 (# 135:20 Single Ambig)
&rst
ixpk= 135, nxpk= 20, iat= -1, 243, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 245, 246, 245, 246,
&end
#
# 85 GLY HN 15 GLN HA 5.50 (# 136:20 Unique 3.21, 4.14 A)
&rst
ixpk= 136, nxpk= 20, iat=1318, 243, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 GLN HG- 15 GLN HA 3.50 (# 137:20 Unique 2.03, 3.07 A)
&rst
ixpk= 137, nxpk= 20, iat= -1, 243, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 248, 249,
&end
#
# 26 LEU HN 26 LEU HA 3.50 (# 138:20 Unique 2.75, 2.78 A)
&rst
ixpk= 138, nxpk= 20, iat= 406, 408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:139 26 LEU HA 4.50 (# 139:20 Single Ambig)
&rst
ixpk= 139, nxpk= 20, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 105, 844, 845,
&end
#
# 29 VAL HB 26 LEU HA 3.50 (# 140:20 Unique 1.94, 2.21 A)
&rst
ixpk= 140, nxpk= 20, iat= 466, 408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:141 0 AMB 20-1:141 3.50 (# 141:20 Double Ambig)
&rst
ixpk= 141, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 410, 411, 310, 311,
igr2= 408, 308,
&end
#
# 0 AMB 20-2:142 0 AMB 20-1:142 4.50 (# 142:20 Double Ambig)
&rst
ixpk= 142, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 413, 294,
igr2= 408, 308,
&end
#
# 26 LEU HB- 26 LEU HA 3.50 (# 143:20 Unique 2.33, 2.68 A)
&rst
ixpk= 143, nxpk= 20, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 410, 411,
&end
#
# 0 AMB 20-2:144 26 LEU HA 2.80 (# 144:20 Single Ambig)
&rst
ixpk= 144, nxpk= 20, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 468, 469, 470, 472, 473, 474, 415, 416, 417, 419,
420, 421,
&end
#
# 12 GLN HN 12 GLN HA 4.50 (# 145:20 Unique 2.90, 2.92 A)
&rst
ixpk= 145, nxpk= 20, iat= 186, 188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 12 GLN HG+ 12 GLN HA 2.80 (# 146:20 Unique 2.28, 3.08 A)
&rst
ixpk= 146, nxpk= 20, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 193, 194,
&end
#
# 0 AMB 20-2:147 12 GLN HA 2.80 (# 147:20 Single Ambig)
&rst
ixpk= 147, nxpk= 20, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 245, 246, 245, 246, 190, 191,
&end
#
# 12 GLN HB- 12 GLN HA 3.50 (# 148:20 Unique 2.44, 2.77 A)
&rst
ixpk= 148, nxpk= 20, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 190, 191,
&end
#
# 25 PRO HD+ 24 ILE HA 3.50 (# 149:20 Unique 2.01, 2.48 A)
&rst
ixpk= 149, nxpk= 20, iat= -1, 375, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 393, 394,
&end
#
# 0 AMB 20-2:150 0 AMB 20-1:150 2.80 (# 150:20 Double Ambig)
&rst
ixpk= 150, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 393, 394, 609, 610,
igr2= 375, 594,
&end
#
# 0 AMB 20-2:151 27 LYS HA 3.50 (# 151:20 Single Ambig)
&rst
ixpk= 151, nxpk= 20, iat= -1, 427, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 432, 433, 432, 433,
&end
#
# 0 AMB 20-2:152 24 ILE HA 2.80 (# 152:20 Single Ambig)
&rst
ixpk= 152, nxpk= 20, iat= -1, 375, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 386, 387, 388, 379, 380, 381,
&end
#
# 27 LYS HN 27 LYS HA 3.50 (# 153:20 Unique 2.77, 2.80 A)
&rst
ixpk= 153, nxpk= 20, iat= 425, 427, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:154 0 AMB 20-1:154 2.80 (# 154:20 Double Ambig)
&rst
ixpk= 154, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 429, 430, 522, 523,
igr2= 427, 375,
&end
#
# 37 VAL MGY 37 VAL HA 2.80 (# 155:20 Unique 2.31, 3.15 A)
&rst
ixpk= 155, nxpk= 20, iat= -1, 594, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 598, 599, 600, 602, 603, 604,
&end
#
# 38 PRO HD+ 37 VAL HA 2.80 (# 156:20 Unique 2.02, 2.49 A)
&rst
ixpk= 156, nxpk= 20, iat= -1, 594, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 609, 610,
&end
#
# 37 VAL MGX 37 VAL HA 3.50 (# 157:20 Unique 2.31, 3.15 A)
&rst
ixpk= 157, nxpk= 20, iat= -1, 594, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 598, 599, 600, 602, 603, 604,
&end
#
# 0 AMB 20-2:158 24 ILE HA 4.50 (# 158:20 Single Ambig)
&rst
ixpk= 158, nxpk= 20, iat= -1, 375, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 373, 368, 369,
&end
#
# 24 ILE HG1+ 24 ILE HA 2.80 (# 159:20 Unique 2.52, 2.83 A)
&rst
ixpk= 159, nxpk= 20, iat= -1, 375, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 383, 384,
&end
#
# 37 VAL HN 37 VAL HA 3.50 (# 160:20 Unique 2.91, 2.94 A)
&rst
ixpk= 160, nxpk= 20, iat= 592, 594, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 76 LYS HN 76 LYS HA 3.50 (# 161:20 Unique 2.27, 2.77 A)
&rst
ixpk= 161, nxpk= 20, iat=1164,1166, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:162 76 LYS HA 2.80 (# 162:20 Single Ambig)
&rst
ixpk= 162, nxpk= 20, iat= -1,1166, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1168,1169,1168,1169,
&end
#
# 0 AMB 20-2:163 76 LYS HA 4.50 (# 163:20 Single Ambig)
&rst
ixpk= 163, nxpk= 20, iat= -1,1166, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1171,1172,1171,1172,
&end
#
# 75 LEU HB+ 75 LEU HA 4.50 (# 164:20 Unique 2.34, 2.79 A)
&rst
ixpk= 164, nxpk= 20, iat= -1,1147, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1149,1150,
&end
#
# 75 LEU HB- 75 LEU HA 2.80 (# 165:20 Unique 2.34, 2.79 A)
&rst
ixpk= 165, nxpk= 20, iat= -1,1147, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1149,1150,
&end
#
# 78 ILE QD1 75 LEU HA 3.50 (# 166:20 Unique 2.37, 4.11 A)
&rst
ixpk= 166, nxpk= 20, iat= -1,1147, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1211,1212,1213,
&end
#
# 75 LEU HN 75 LEU HA 4.50 (# 167:20 Unique 2.76, 2.84 A)
&rst
ixpk= 167, nxpk= 20, iat=1145,1147, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:168 75 LEU HA 3.50 (# 168:20 Single Ambig)
&rst
ixpk= 168, nxpk= 20, iat= -1,1147, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160,
&end
#
# 61 LEU HG 61 LEU HA 3.50 (# 169:20 Unique 2.24, 2.68 A)
&rst
ixpk= 169, nxpk= 20, iat= 962, 957, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 20 GLY HN 19 GLN HA 3.50 (# 170:20 Unique 2.15, 2.23 A)
&rst
ixpk= 170, nxpk= 20, iat= 323, 308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 19 GLN HN 19 GLN HA 3.50 (# 171:20 Unique 2.75, 2.82 A)
&rst
ixpk= 171, nxpk= 20, iat= 306, 308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 19 GLN HG- 19 GLN HA 3.50 (# 173:20 Unique 2.06, 2.88 A)
&rst
ixpk= 173, nxpk= 20, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 313, 314,
&end
#
# 19 GLN HB+ 19 GLN HA 3.50 (# 174:20 Unique 2.38, 2.77 A)
&rst
ixpk= 174, nxpk= 20, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 310, 311,
&end
#
# 19 GLN HB- 19 GLN HA 3.50 (# 175:20 Unique 2.38, 2.77 A)
&rst
ixpk= 175, nxpk= 20, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 310, 311,
&end
#
# 83 VAL MGX 19 GLN HA 4.50 (# 176:20 Unique 2.25, 4.60 A)
&rst
ixpk= 176, nxpk= 20, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 5 ILE HN 46 VAL HA 4.50 (# 177:20 Unique 4.26, 4.47 A)
&rst
ixpk= 177, nxpk= 20, iat= 70, 736, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:178 46 VAL HA 2.80 (# 178:20 Single Ambig)
&rst
ixpk= 178, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 750, 734,
&end
#
# 46 VAL HB 46 VAL HA 3.50 (# 179:20 Unique 2.44, 2.50 A)
&rst
ixpk= 179, nxpk= 20, iat= 738, 736, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:180 46 VAL HA 3.50 (# 180:20 Single Ambig)
&rst
ixpk= 180, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 740, 741, 742, 744, 745, 746, 107, 108, 109, 111,
112, 113,
&end
#
# 61 LEU HN 61 LEU HA 3.50 (# 181:20 Unique 2.76, 2.79 A)
&rst
ixpk= 181, nxpk= 20, iat= 955, 957, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 14 GLN HN 14 GLN HA 3.50 (# 182:20 Unique 2.84, 2.91 A)
&rst
ixpk= 182, nxpk= 20, iat= 224, 226, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:183 14 GLN HA 3.50 (# 183:20 Single Ambig)
&rst
ixpk= 183, nxpk= 20, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 231, 232, 231, 232,
&end
#
# 0 AMB 20-2:184 14 GLN HA 2.80 (# 184:20 Single Ambig)
&rst
ixpk= 184, nxpk= 20, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 228, 229, 228, 229,
&end
#
# 66 TYR HD 40 LYS HA 5.50 (# 185:20 Unique 1.99, 4.20 A)
&rst
ixpk= 185, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1032,1041,
&end
#
# 31 GLU HN 31 GLU HA 3.50 (# 186:20 Unique 2.93, 2.93 A)
&rst
ixpk= 186, nxpk= 20, iat= 500, 502, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:187 31 GLU HA 2.80 (# 187:20 Single Ambig)
&rst
ixpk= 187, nxpk= 20, iat= -1, 502, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 504, 505, 504, 505,
&end
#
# 64 MET HN 61 LEU HA 4.50 (# 188:20 Unique 3.23, 3.73 A)
&rst
ixpk= 188, nxpk= 20, iat=1000, 957, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:189 61 LEU HA 4.50 (# 189:20 Single Ambig)
&rst
ixpk= 189, nxpk= 20, iat= -1, 957, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1004,1005,1007,1008,
&end
#
# 64 MET HB- 61 LEU HA 3.50 (# 190:20 Unique 2.24, 3.68 A)
&rst
ixpk= 190, nxpk= 20, iat= -1, 957, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1004,1005,
&end
#
# 0 AMB 20-2:191 61 LEU HA 3.50 (# 191:20 Single Ambig)
&rst
ixpk= 191, nxpk= 20, iat= -1, 957, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 959, 960, 549, 550,
&end
#
# 0 AMB 20-2:192 61 LEU HA 2.80 (# 192:20 Single Ambig)
&rst
ixpk= 192, nxpk= 20, iat= -1, 957, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
969, 970,
&end
#
# 0 AMB 20-2:193 40 LYS HA 3.50 (# 193:20 Single Ambig)
&rst
ixpk= 193, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 641, 642, 644, 645,
&end
#
# 40 LYS HN 40 LYS HA 3.50 (# 194:20 Unique 2.81, 2.91 A)
&rst
ixpk= 194, nxpk= 20, iat= 634, 636, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 TYR HE 40 LYS HA 4.50 (# 195:20 Unique 2.90, 5.10 A)
&rst
ixpk= 195, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1034,1039,
&end
#
# 40 LYS HB+ 40 LYS HA 3.50 (# 196:20 Unique 2.35, 2.54 A)
&rst
ixpk= 196, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 638, 639,
&end
#
# 40 LYS HB- 40 LYS HA 3.50 (# 197:20 Unique 2.35, 2.54 A)
&rst
ixpk= 197, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 638, 639,
&end
#
# 40 LYS HG- 40 LYS HA 3.50 (# 198:20 Unique 2.56, 3.48 A)
&rst
ixpk= 198, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 641, 642,
&end
#
# 49 ASN HD2- 49 ASN HA 3.50 (# 199:20 Unique 1.95, 2.83 A)
&rst
ixpk= 199, nxpk= 20, iat= -1, 784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 791, 792,
&end
#
# 49 ASN HB+ 49 ASN HA 3.50 (# 200:20 Unique 2.34, 2.80 A)
&rst
ixpk= 200, nxpk= 20, iat= -1, 784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 786, 787,
&end
#
# 32 ARG HN 32 ARG HA 3.50 (# 201:20 Unique 2.90, 2.94 A)
&rst
ixpk= 201, nxpk= 20, iat= 515, 517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:202 32 ARG HA 5.50 (# 202:20 Single Ambig)
&rst
ixpk= 202, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 525, 526, 525, 526,
&end
#
# 0 AMB 20-2:203 32 ARG HA 2.80 (# 203:20 Single Ambig)
&rst
ixpk= 203, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 522, 523, 519, 520,
&end
#
# 0 AMB 20-2:204 32 ARG HA 2.80 (# 204:20 Single Ambig)
&rst
ixpk= 204, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 522, 523, 519, 520,
&end
#
# 48 CYS HN 47 TYR HA 3.50 (# 205:20 Unique 2.14, 2.20 A)
&rst
ixpk= 205, nxpk= 20, iat= 771, 752, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:206 47 TYR HA 3.50 (# 206:20 Single Ambig)
&rst
ixpk= 206, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1133,1134, 754, 755,
&end
#
# 47 TYR HB- 47 TYR HA 3.50 (# 207:20 Unique 2.24, 2.54 A)
&rst
ixpk= 207, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 754, 755,
&end
#
# 64 MET HN 64 MET HA 3.50 (# 208:20 Unique 2.76, 2.79 A)
&rst
ixpk= 208, nxpk= 20, iat=1000,1002, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 64 MET HG+ 64 MET HA 3.50 (# 209:20 Unique 2.02, 3.00 A)
&rst
ixpk= 209, nxpk= 20, iat= -1,1002, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1007,1008,
&end
#
# 0 AMB 20-2:210 64 MET HA 2.80 (# 210:20 Single Ambig)
&rst
ixpk= 210, nxpk= 20, iat= -1,1002, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1007,1008,1004,1005,
&end
#
# 64 MET HB- 64 MET HA 3.50 (# 211:20 Unique 2.30, 2.80 A)
&rst
ixpk= 211, nxpk= 20, iat= -1,1002, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1004,1005,
&end
#
# 16 GLU HN 16 GLU HA 4.50 (# 212:20 Unique 2.28, 2.59 A)
&rst
ixpk= 212, nxpk= 20, iat= 258, 260, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 5 ILE HN 4 TRP HA 2.80 (# 213:20 Unique 2.14, 2.18 A)
&rst
ixpk= 213, nxpk= 20, iat= 70, 48, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 45 LYS HN 4 TRP HA 4.50 (# 214:20 Unique 4.10, 4.43 A)
&rst
ixpk= 214, nxpk= 20, iat= 712, 48, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 4 TRP HB+ 4 TRP HA 3.50 (# 215:20 Unique 2.52, 2.80 A)
&rst
ixpk= 215, nxpk= 20, iat= -1, 48, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 50, 51,
&end
#
# 0 AMB 20-2:216 4 TRP HA 3.50 (# 216:20 Single Ambig)
&rst
ixpk= 216, nxpk= 20, iat= -1, 48, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 716, 717, 716, 717,
&end
#
# 17 HIS HN 16 GLU HA 3.50 (# 217:20 Unique 2.14, 2.26 A)
&rst
ixpk= 217, nxpk= 20, iat= 273, 260, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:218 0 AMB 20-1:218 3.50 (# 218:20 Double Ambig)
&rst
ixpk= 218, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 121, 122, 262, 263,
igr2= 773, 260,
&end
#
# 16 GLU HG+ 16 GLU HA 3.50 (# 219:20 Unique 2.10, 3.18 A)
&rst
ixpk= 219, nxpk= 20, iat= -1, 260, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 265, 266,
&end
#
# 0 AMB 20-2:220 0 AMB 20-1:220 3.50 (# 220:20 Double Ambig)
&rst
ixpk= 220, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 265, 266, 124, 125, 124, 125, 262, 263,
igr2= 260, 773,
&end
#
# 9 VAL HN 8 ARG HA 2.80 (# 221:20 Unique 2.20, 2.31 A)
&rst
ixpk= 221, nxpk= 20, iat= 141, 119, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 12 GLN HB- 8 ARG HA 4.50 (# 222:20 Unique 4.61, 5.26 A)
&rst
ixpk= 222, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 190, 191,
&end
#
# 0 AMB 20-2:223 8 ARG HA 4.50 (# 223:20 Single Ambig)
&rst
ixpk= 223, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 117, 406,
&end
#
# 0 AMB 20-2:224 8 ARG HA 3.50 (# 224:20 Single Ambig)
&rst
ixpk= 224, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 121, 122, 841, 842, 841, 842,
&end
#
# 0 AMB 20-2:225 8 ARG HA 4.50 (# 225:20 Single Ambig)
&rst
ixpk= 225, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 124, 125, 124, 125,
&end
#
# 28 GLU HN 28 GLU HA 3.50 (# 226:20 Unique 2.90, 2.93 A)
&rst
ixpk= 226, nxpk= 20, iat= 447, 449, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 VAL HN 28 GLU HA 4.50 (# 227:20 Unique 2.65, 2.82 A)
&rst
ixpk= 227, nxpk= 20, iat= 462, 449, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:228 28 GLU HA 3.50 (# 228:20 Single Ambig)
&rst
ixpk= 228, nxpk= 20, iat= -1, 449, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 454, 455, 504, 505, 504, 505,
&end
#
# 0 AMB 20-2:229 28 GLU HA 2.80 (# 229:20 Single Ambig)
&rst
ixpk= 229, nxpk= 20, iat= -1, 449, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 451, 452, 454, 455,
&end
#
# 28 GLU HB- 28 GLU HA 3.50 (# 230:20 Unique 2.30, 2.59 A)
&rst
ixpk= 230, nxpk= 20, iat= -1, 449, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 451, 452,
&end
#
# 85 GLY HN 84 LYS HA 2.80 (# 231:20 Unique 2.14, 2.19 A)
&rst
ixpk= 231, nxpk= 20, iat=1318,1298, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:232 84 LYS HA 3.50 (# 232:20 Single Ambig)
&rst
ixpk= 232, nxpk= 20, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1303,1304,1303,1304,
&end
#
# 0 AMB 20-2:233 84 LYS HA 3.50 (# 233:20 Single Ambig)
&rst
ixpk= 233, nxpk= 20, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1296, 273,
&end
#
# 0 AMB 20-2:234 84 LYS HA 3.50 (# 234:20 Single Ambig)
&rst
ixpk= 234, nxpk= 20, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1300,1301, 265, 266,
&end
#
# 0 AMB 20-2:235 84 LYS HA 3.50 (# 235:20 Single Ambig)
&rst
ixpk= 235, nxpk= 20, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1300,1301,1306,1307,1306,1307,
&end
#
# 0 AMB 20-2:236 0 AMB 20-1:236 4.50 (# 236:20 Double Ambig)
&rst
ixpk= 236, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 262, 263, 121, 122, 841, 842, 841, 842,
igr2=1298, 119,
&end
#
# 43 THR HN 42 ASP HA 2.80 (# 237:20 Unique 2.14, 2.36 A)
&rst
ixpk= 237, nxpk= 20, iat= 682, 672, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 42 ASP HN 42 ASP HA 3.50 (# 238:20 Unique 2.76, 2.87 A)
&rst
ixpk= 238, nxpk= 20, iat= 670, 672, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 42 ASP HB+ 42 ASP HA 3.50 (# 239:20 Unique 2.35, 2.77 A)
&rst
ixpk= 239, nxpk= 20, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 674, 675,
&end
#
# 42 ASP HB- 42 ASP HA 3.50 (# 240:20 Unique 2.35, 2.77 A)
&rst
ixpk= 240, nxpk= 20, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 674, 675,
&end
#
# 0 AMB 20-2:241 57 ALA HA 3.50 (# 241:20 Single Ambig)
&rst
ixpk= 241, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 889, 955,
&end
#
# 60 ILE HN 57 ALA HA 4.50 (# 242:20 Unique 3.12, 3.40 A)
&rst
ixpk= 242, nxpk= 20, iat= 936, 891, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 ILE HG1- 57 ALA HA 2.80 (# 243:20 Unique 1.98, 2.70 A)
&rst
ixpk= 243, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 946, 947,
&end
#
# 57 ALA MB 57 ALA HA 2.80 (# 244:20 Unique 2.26, 2.63 A)
&rst
ixpk= 244, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 893, 894, 895,
&end
#
# 0 AMB 20-2:245 57 ALA HA 2.80 (# 245:20 Single Ambig)
&rst
ixpk= 245, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 415, 416, 417, 419, 420, 421, 949, 950, 951,
&end
#
# 34 ALA HN 34 ALA HA 3.50 (# 246:20 Unique 2.78, 2.89 A)
&rst
ixpk= 246, nxpk= 20, iat= 558, 560, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:247 2 GLU HA 3.50 (# 247:20 Single Ambig)
&rst
ixpk= 247, nxpk= 20, iat= -1, 16, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 21, 22, 21, 22,
&end
#
# 3 HIS HN 2 GLU HA 2.80 (# 248:20 Unique 2.14, 2.18 A)
&rst
ixpk= 248, nxpk= 20, iat= 29, 16, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 43 THR HB 2 GLU HA 3.50 (# 249:20 Unique 3.16, 3.43 A)
&rst
ixpk= 249, nxpk= 20, iat= 686, 16, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:250 2 GLU HA 3.50 (# 250:20 Single Ambig)
&rst
ixpk= 250, nxpk= 20, iat= -1, 16, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 18, 19, 18, 19,
&end
#
# 0 AMB 20-2:251 2 GLU HA 4.50 (# 251:20 Single Ambig)
&rst
ixpk= 251, nxpk= 20, iat= -1, 16, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 692, 688, 689, 690,
&end
#
# 18 VAL HA 82 LYS HA 3.50 (# 252:20 Unique 2.10, 2.87 A)
&rst
ixpk= 252, nxpk= 20, iat= 292,1260, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 77 ASP HB+ 77 ASP HA 3.50 (# 253:20 Unique 2.39, 2.81 A)
&rst
ixpk= 253, nxpk= 20, iat= -1,1188, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1190,1191,
&end
#
# 77 ASP HB- 77 ASP HA 3.50 (# 254:20 Unique 2.39, 2.81 A)
&rst
ixpk= 254, nxpk= 20, iat= -1,1188, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1190,1191,
&end
#
# 37 VAL HN 34 ALA HA 4.50 (# 255:20 Unique 2.97, 4.24 A)
&rst
ixpk= 255, nxpk= 20, iat= 592, 560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 35 THR HN 34 ALA HA 5.50 (# 256:20 Unique 3.06, 3.34 A)
&rst
ixpk= 256, nxpk= 20, iat= 568, 560, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 PRO HA 34 ALA HA 4.50 (# 257:20 Unique 3.08, 4.14 A)
&rst
ixpk= 257, nxpk= 20, iat= 618, 560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 ALA MB 34 ALA HA 2.80 (# 258:20 Unique 2.24, 2.63 A)
&rst
ixpk= 258, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 562, 563, 564,
&end
#
# 33 ILE QG2 34 ALA HA 4.50 (# 259:20 Unique 3.28, 4.32 A)
&rst
ixpk= 259, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 545, 546, 547,
&end
#
# 83 VAL HN 82 LYS HA 2.80 (# 260:20 Unique 2.47, 2.66 A)
&rst
ixpk= 260, nxpk= 20, iat=1280,1260, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 3 HIS HB- 3 HIS HA 4.50 (# 261:20 Unique 2.37, 2.70 A)
&rst
ixpk= 261, nxpk= 20, iat= -1, 31, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 33, 34,
&end
#
# 3 HIS HB+ 3 HIS HA 3.50 (# 262:20 Unique 2.37, 2.70 A)
&rst
ixpk= 262, nxpk= 20, iat= -1, 31, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 33, 34,
&end
#
# 0 AMB 20-2:263 45 LYS HA 4.50 (# 263:20 Single Ambig)
&rst
ixpk= 263, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 719, 720, 722, 723,
&end
#
# 0 AMB 20-2:264 45 LYS HA 3.50 (# 264:20 Single Ambig)
&rst
ixpk= 264, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 716, 717, 716, 717,
&end
#
# 45 LYS HN 45 LYS HA 4.50 (# 265:20 Unique 2.86, 2.90 A)
&rst
ixpk= 265, nxpk= 20, iat= 712, 714, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 VAL HN 45 LYS HA 2.80 (# 266:20 Unique 2.14, 2.21 A)
&rst
ixpk= 266, nxpk= 20, iat= 734, 714, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 68 HIS HN 68 HIS HA 4.50 (# 267:20 Unique 2.79, 2.90 A)
&rst
ixpk= 267, nxpk= 20, iat=1059,1061, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 69 VAL HN 68 HIS HA 2.80 (# 268:20 Unique 2.14, 2.46 A)
&rst
ixpk= 268, nxpk= 20, iat=1076,1061, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 68 HIS HB+ 68 HIS HA 3.50 (# 269:20 Unique 2.36, 2.69 A)
&rst
ixpk= 269, nxpk= 20, iat= -1,1061, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1063,1064,
&end
#
# 68 HIS HB- 68 HIS HA 4.50 (# 270:20 Unique 2.36, 2.69 A)
&rst
ixpk= 270, nxpk= 20, iat= -1,1061, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1063,1064,
&end
#
# 4 TRP HN 3 HIS HA 2.80 (# 271:20 Unique 2.16, 2.23 A)
&rst
ixpk= 271, nxpk= 20, iat= 46, 31, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 37 VAL HN 36 ALA HA 5.50 (# 272:20 Unique 3.48, 3.52 A)
&rst
ixpk= 272, nxpk= 20, iat= 592, 584, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 ALA HN 36 ALA HA 3.50 (# 273:20 Unique 2.81, 2.88 A)
&rst
ixpk= 273, nxpk= 20, iat= 582, 584, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:274 70 GLU HA 2.80 (# 274:20 Single Ambig)
&rst
ixpk= 274, nxpk= 20, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1107,1092,
&end
#
# 0 AMB 20-2:275 70 GLU HA 3.50 (# 275:20 Single Ambig)
&rst
ixpk= 275, nxpk= 20, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1099,1100,1099,1100,
&end
#
# 70 GLU HB+ 70 GLU HA 3.50 (# 276:20 Unique 2.50, 2.82 A)
&rst
ixpk= 276, nxpk= 20, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1096,1097,
&end
#
# 70 GLU HB- 70 GLU HA 3.50 (# 277:20 Unique 2.50, 2.82 A)
&rst
ixpk= 277, nxpk= 20, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1096,1097,
&end
#
# 58 LYS HD- 70 GLU HA 5.50 (# 278:20 Unique 4.23, 6.09 A)
&rst
ixpk= 278, nxpk= 20, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 909, 910,
&end
#
# 36 ALA MB 36 ALA HA 2.80 (# 279:20 Unique 2.22, 2.63 A)
&rst
ixpk= 279, nxpk= 20, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 586, 587, 588,
&end
#
# 41 ASN HN 41 ASN HA 3.50 (# 280:20 Unique 2.76, 2.88 A)
&rst
ixpk= 280, nxpk= 20, iat= 656, 658, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 39 ASP HN 39 ASP HA 3.50 (# 281:20 Unique 2.87, 2.92 A)
&rst
ixpk= 281, nxpk= 20, iat= 622, 624, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 40 LYS HN 39 ASP HA 2.80 (# 282:20 Unique 2.14, 2.22 A)
&rst
ixpk= 282, nxpk= 20, iat= 634, 624, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 39 ASP HB+ 39 ASP HA 3.50 (# 283:20 Unique 2.35, 2.80 A)
&rst
ixpk= 283, nxpk= 20, iat= -1, 624, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 626, 627,
&end
#
# 39 ASP HB- 39 ASP HA 3.50 (# 284:20 Unique 2.35, 2.80 A)
&rst
ixpk= 284, nxpk= 20, iat= -1, 624, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 626, 627,
&end
#
# 41 ASN HB- 41 ASN HA 3.50 (# 285:20 Unique 2.40, 2.78 A)
&rst
ixpk= 285, nxpk= 20, iat= -1, 658, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 660, 661,
&end
#
# 41 ASN HB+ 41 ASN HA 2.80 (# 286:20 Unique 2.40, 2.78 A)
&rst
ixpk= 286, nxpk= 20, iat= -1, 658, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 660, 661,
&end
#
# 72 ALA HN 72 ALA HA 4.50 (# 287:20 Unique 2.76, 2.85 A)
&rst
ixpk= 287, nxpk= 20, iat=1121,1123, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 72 ALA MB 72 ALA HA 2.80 (# 288:20 Unique 2.22, 2.63 A)
&rst
ixpk= 288, nxpk= 20, iat= -1,1123, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1125,1126,1127,
&end
#
# 22 ILE HN 21 ALA HA 3.50 (# 289:20 Unique 2.16, 2.44 A)
&rst
ixpk= 289, nxpk= 20, iat= 340, 332, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 ALA HN 21 ALA HA 3.50 (# 290:20 Unique 2.79, 2.92 A)
&rst
ixpk= 290, nxpk= 20, iat= 330, 332, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 4 TRP HB- 21 ALA HA 3.50 (# 291:20 Unique 2.00, 3.16 A)
&rst
ixpk= 291, nxpk= 20, iat= -1, 332, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 50, 51,
&end
#
# 21 ALA MB 21 ALA HA 2.80 (# 292:20 Unique 2.22, 2.63 A)
&rst
ixpk= 292, nxpk= 20, iat= -1, 332, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 334, 335, 336,
&end
#
# 1 ALA MB 1 ALA HA 2.80 (# 294:20 Unique 2.22, 2.63 A)
&rst
ixpk= 294, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 8, 9, 10,
&end
#
# 2 GLU HN 1 ALA HA 3.50 (# 295:20 Unique 2.14, 2.36 A)
&rst
ixpk= 295, nxpk= 20, iat= 14, 6, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 7 VAL HN 6 ASP HA 3.50 (# 296:20 Unique 2.14, 2.16 A)
&rst
ixpk= 296, nxpk= 20, iat= 101, 91, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 72 ALA HN 71 ASN HA 2.80 (# 297:20 Unique 2.14, 2.19 A)
&rst
ixpk= 297, nxpk= 20, iat=1121,1109, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 71 ASN HN 71 ASN HA 4.50 (# 298:20 Unique 2.79, 2.84 A)
&rst
ixpk= 298, nxpk= 20, iat=1107,1109, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 VAL HN 71 ASN HA 4.50 (# 299:20 Unique 2.34, 3.43 A)
&rst
ixpk= 299, nxpk= 20, iat= 734,1109, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 71 ASN HB- 71 ASN HA 3.50 (# 300:20 Unique 2.34, 2.72 A)
&rst
ixpk= 300, nxpk= 20, iat= -1,1109, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1111,1112,
&end
#
# 46 VAL MGX 71 ASN HA 3.50 (# 301:20 Unique 1.99, 3.91 A)
&rst
ixpk= 301, nxpk= 20, iat= -1,1109, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 740, 741, 742, 744, 745, 746,
&end
#
# 71 ASN HB+ 71 ASN HA 4.50 (# 302:20 Unique 2.34, 2.72 A)
&rst
ixpk= 302, nxpk= 20, iat= -1,1109, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1111,1112,
&end
#
# 79 ALA HN 79 ALA HA 4.50 (# 303:20 Unique 2.83, 2.91 A)
&rst
ixpk= 303, nxpk= 20, iat=1217,1219, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 MET HN 79 ALA HA 3.50 (# 304:20 Unique 2.18, 3.06 A)
&rst
ixpk= 304, nxpk= 20, iat=1227,1219, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 ALA MB 79 ALA HA 2.80 (# 305:20 Unique 2.22, 2.63 A)
&rst
ixpk= 305, nxpk= 20, iat= -1,1219, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1221,1222,1223,
&end
#
# 9 VAL HA 0 AMB 20-1:307 2.80 (# 307:20 Single Ambig)
&rst
ixpk= 307, nxpk= 20, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 158, 159, 158, 159,
&end
#
# 9 VAL HB 0 AMB 20-1:308 2.80 (# 308:20 Single Ambig)
&rst
ixpk= 308, nxpk= 20, iat= 145, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 158, 159, 158, 159,
&end
#
# 0 AMB 20-2:309 0 AMB 20-1:309 5.50 (# 309:20 Double Ambig)
&rst
ixpk= 309, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 164, 165, 164, 165,
igr2= 158, 159, 158, 159,
&end
#
# 0 AMB 20-2:310 0 AMB 20-1:310 2.80 (# 310:20 Double Ambig)
&rst
ixpk= 310, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
igr1= 399, 400, 399, 400, 161, 162, 161, 162, 161, 162,
igr2= 158, 159, 158, 159, 158, 159, 158, 159,
&end
#
# 28 GLU HG- 0 AMB 20-1:311 3.50 (# 311:20 Single Ambig)
&rst
ixpk= 311, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 454, 455,
igr2= 158, 159, 158, 159,
&end
#
# 9 VAL MGY 0 AMB 20-1:312 4.50 (# 312:20 Single Ambig)
&rst
ixpk= 312, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 147, 148, 149, 151, 152, 153,
igr2= 158, 159, 158, 159,
&end
#
# 80 MET HA 81 PRO HD+ 2.80 (# 314:20 Unique 2.30, 2.42 A)
&rst
ixpk= 314, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1245,1246,
&end
#
# 0 AMB 20-2:315 0 AMB 20-1:315 2.80 (# 315:20 Double Ambig)
&rst
ixpk= 315, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1248,1249,1248,1249,
igr2=1245,1246,1245,1246,
&end
#
# 0 AMB 20-2:316 0 AMB 20-1:316 3.50 (# 316:20 Double Ambig)
&rst
ixpk= 316, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1=1231,1232,1238,1239,1240,
igr2=1245,1246,1245,1246,
&end
#
# 80 MET HA 81 PRO HD- 3.50 (# 317:20 Unique 2.30, 2.42 A)
&rst
ixpk= 317, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1245,1246,
&end
#
# 0 AMB 20-2:318 81 PRO HD- 3.50 (# 318:20 Single Ambig)
&rst
ixpk= 318, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1248,1249,1248,1249,
igr2=1245,1246,
&end
#
# 0 AMB 20-2:319 81 PRO HD- 2.80 (# 319:20 Single Ambig)
&rst
ixpk= 319, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1=1231,1232,1238,1239,1240,
igr2=1245,1246,
&end
#
# 24 ILE HA 25 PRO HD+ 3.50 (# 320:20 Unique 2.01, 2.48 A)
&rst
ixpk= 320, nxpk= 20, iat= 375, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 393, 394,
&end
#
# 0 AMB 20-2:321 0 AMB 20-1:321 3.50 (# 321:20 Double Ambig)
&rst
ixpk= 321, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 454, 455, 396, 397,
igr2= 393, 394, 393, 394,
&end
#
# 28 GLU HB- 25 PRO HD+ 5.50 (# 322:20 Unique 1.99, 4.98 A)
&rst
ixpk= 322, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 451, 452,
igr2= 393, 394,
&end
#
# 25 PRO HB- 25 PRO HD+ 4.50 (# 323:20 Unique 2.98, 3.70 A)
&rst
ixpk= 323, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 399, 400,
igr2= 393, 394,
&end
#
# 0 AMB 20-2:324 25 PRO HD- 5.50 (# 324:20 Single Ambig)
&rst
ixpk= 324, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 386, 387, 388, 379, 380, 381,
igr2= 393, 394,
&end
#
# 0 AMB 20-2:325 0 AMB 20-1:325 5.50 (# 325:20 Double Ambig)
&rst
ixpk= 325, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 386, 387, 388, 379, 380, 381,
igr2= 393, 394, 393, 394,
&end
#
# 0 AMB 20-2:326 0 AMB 20-1:326 2.80 (# 326:20 Double Ambig)
&rst
ixpk= 326, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 375, 594,
igr2= 393, 394, 609, 610,
&end
#
# 0 AMB 20-2:327 0 AMB 20-1:327 2.80 (# 327:20 Double Ambig)
&rst
ixpk= 327, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 396, 397, 612, 613, 612, 613,
igr2= 393, 394, 609, 610,
&end
#
# 0 AMB 20-2:328 25 PRO HD- 4.50 (# 328:20 Single Ambig)
&rst
ixpk= 328, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 402, 158, 159, 158, 159,
igr2= 393, 394,
&end
#
# 39 ASP HN 38 PRO HD+ 4.50 (# 329:20 Unique 2.68, 3.34 A)
&rst
ixpk= 329, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 609, 610,
&end
#
# 37 VAL HA 38 PRO HD+ 2.80 (# 330:20 Unique 2.02, 2.49 A)
&rst
ixpk= 330, nxpk= 20, iat= 594, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 609, 610,
&end
#
# 0 AMB 20-2:331 0 AMB 20-1:331 2.80 (# 331:20 Double Ambig)
&rst
ixpk= 331, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 612, 613, 612, 613,
igr2= 609, 610, 609, 610,
&end
#
# 0 AMB 20-2:332 38 PRO HD- 4.50 (# 332:20 Single Ambig)
&rst
ixpk= 332, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 615, 616, 626, 627,
igr2= 609, 610,
&end
#
# 0 AMB 20-2:333 0 AMB 20-1:333 3.50 (# 333:20 Double Ambig)
&rst
ixpk= 333, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 865, 872,
igr2= 867, 868, 867, 868,
&end
#
# 0 AMB 20-2:334 55 GLY HA- 3.50 (# 334:20 Single Ambig)
&rst
ixpk= 334, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 865, 872,
igr2= 867, 868,
&end
#
# 58 LYS HB+ 55 GLY HA- 4.50 (# 335:20 Unique 1.99, 3.75 A)
&rst
ixpk= 335, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 903, 904,
igr2= 867, 868,
&end
#
# 85 GLY HN 85 GLY HA+ 3.50 (# 336:20 Unique 2.30, 2.67 A)
&rst
ixpk= 336, nxpk= 20, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1320,1321,
&end
#
# 85 GLY HN 85 GLY HA- 3.50 (# 337:20 Unique 2.30, 2.67 A)
&rst
ixpk= 337, nxpk= 20, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1320,1321,
&end
#
# 85 GLY HN 85 GLY HA- 3.50 (# 338:20 Unique 2.30, 2.67 A)
&rst
ixpk= 338, nxpk= 20, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1320,1321,
&end
#
# 73 GLY HN 73 GLY HA+ 3.50 (# 339:20 Unique 2.29, 2.68 A)
&rst
ixpk= 339, nxpk= 20, iat=1131, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1133,1134,
&end
#
# 74 GLY HN 0 AMB 20-1:340 3.50 (# 340:20 Single Ambig)
&rst
ixpk= 340, nxpk= 20, iat=1138, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1133,1134, 808, 809,
&end
#
# 51 GLY HA+ 73 GLY HA- 4.50 (# 341:20 Unique 2.40, 5.26 A)
&rst
ixpk= 341, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 808, 809,
igr2=1133,1134,
&end
#
# 74 GLY HN 73 GLY HA- 3.50 (# 342:20 Unique 2.14, 2.77 A)
&rst
ixpk= 342, nxpk= 20, iat=1138, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1133,1134,
&end
#
# 73 GLY HN 73 GLY HA- 3.50 (# 343:20 Unique 2.29, 2.68 A)
&rst
ixpk= 343, nxpk= 20, iat=1131, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1133,1134,
&end
#
# 0 AMB 20-2:344 0 AMB 20-1:344 3.50 (# 344:20 Double Ambig)
&rst
ixpk= 344, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1116,1117, 796,
igr2=1133,1134,1133,1134, 808, 809,
&end
#
# 0 AMB 20-2:345 0 AMB 20-1:345 4.50 (# 345:20 Double Ambig)
&rst
ixpk= 345, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1116,1117, 796,
igr2= 808, 809, 808, 809,
&end
#
# 20 GLY HN 20 GLY HA+ 4.50 (# 347:20 Unique 2.29, 2.64 A)
&rst
ixpk= 347, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 325, 326,
&end
#
# 20 GLY HN 20 GLY HA- 4.50 (# 348:20 Unique 2.29, 2.64 A)
&rst
ixpk= 348, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 325, 326,
&end
#
# 20 GLY HN 20 GLY HA- 4.50 (# 349:20 Unique 2.29, 2.64 A)
&rst
ixpk= 349, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 325, 326,
&end
#
# 65 GLY HN 65 GLY HA+ 3.50 (# 350:20 Unique 2.45, 2.76 A)
&rst
ixpk= 350, nxpk= 20, iat=1017, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1019,1020,
&end
#
# 65 GLY HN 65 GLY HA- 3.50 (# 351:20 Unique 2.45, 2.76 A)
&rst
ixpk= 351, nxpk= 20, iat=1017, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1019,1020,
&end
#
# 65 GLY HN 65 GLY HA- 3.50 (# 352:20 Unique 2.45, 2.76 A)
&rst
ixpk= 352, nxpk= 20, iat=1017, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1019,1020,
&end
#
# 74 GLY HN 74 GLY HA+ 4.50 (# 353:20 Unique 2.30, 2.73 A)
&rst
ixpk= 353, nxpk= 20, iat=1138, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1140,1141,
&end
#
# 75 LEU HN 74 GLY HA+ 3.50 (# 354:20 Unique 2.14, 2.66 A)
&rst
ixpk= 354, nxpk= 20, iat=1145, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1140,1141,
&end
#
# 74 GLY HN 74 GLY HA- 3.50 (# 355:20 Unique 2.30, 2.73 A)
&rst
ixpk= 355, nxpk= 20, iat=1138, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1140,1141,
&end
#
# 75 LEU HN 74 GLY HA- 3.50 (# 356:20 Unique 2.14, 2.66 A)
&rst
ixpk= 356, nxpk= 20, iat=1145, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1140,1141,
&end
#
# 0 AMB 20-2:358 0 AMB 20-1:358 4.50 (# 358:20 Double Ambig)
&rst
ixpk= 358, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 190, 191, 121, 122,
igr2= 127, 128, 127, 128,
&end
#
# 12 GLN HB- 8 ARG HD+ 3.50 (# 359:20 Unique 1.99, 3.42 A)
&rst
ixpk= 359, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 190, 191,
igr2= 127, 128,
&end
#
# 12 GLN HB- 8 ARG HD- 3.50 (# 360:20 Unique 1.99, 3.42 A)
&rst
ixpk= 360, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 190, 191,
igr2= 127, 128,
&end
#
# 0 AMB 20-2:361 8 ARG HD- 4.50 (# 361:20 Single Ambig)
&rst
ixpk= 361, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 124, 125, 124, 125,
igr2= 127, 128,
&end
#
# 0 AMB 20-2:362 0 AMB 20-1:362 4.50 (# 362:20 Double Ambig)
&rst
ixpk= 362, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 451, 452, 454, 455,
igr2= 525, 526, 525, 526,
&end
#
# 0 AMB 20-2:363 0 AMB 20-1:363 3.50 (# 363:20 Double Ambig)
&rst
ixpk= 363, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 519, 520, 522, 523,
igr2= 525, 526, 525, 526,
&end
#
# 0 AMB 20-2:364 0 AMB 20-1:364 4.50 (# 364:20 Double Ambig)
&rst
ixpk= 364, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 379, 380, 381, 386, 387, 388,
igr2= 525, 526, 525, 526,
&end
#
# 0 AMB 20-2:365 0 AMB 20-1:365 3.50 (# 365:20 Double Ambig)
&rst
ixpk= 365, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 519, 520, 522, 523,
igr2= 525, 526, 525, 526,
&end
#
# 0 AMB 20-2:366 32 ARG HD- 4.50 (# 366:20 Single Ambig)
&rst
ixpk= 366, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 451, 452, 454, 455,
igr2= 525, 526,
&end
#
# 0 AMB 20-2:367 32 ARG HD- 3.50 (# 367:20 Single Ambig)
&rst
ixpk= 367, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 519, 520, 522, 523,
igr2= 525, 526,
&end
#
# 0 AMB 20-2:368 32 ARG HD- 3.50 (# 368:20 Single Ambig)
&rst
ixpk= 368, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 519, 520, 522, 523,
igr2= 525, 526,
&end
#
# 0 AMB 20-2:369 32 ARG HD- 4.50 (# 369:20 Single Ambig)
&rst
ixpk= 369, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 379, 380, 381, 386, 387, 388,
igr2= 525, 526,
&end
#
# 0 AMB 20-2:370 0 AMB 20-1:370 4.50 (# 370:20 Double Ambig)
&rst
ixpk= 370, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 130, 89,
igr2= 93, 94, 93, 94,
&end
#
# 0 AMB 20-2:371 6 ASP HB- 3.50 (# 371:20 Single Ambig)
&rst
ixpk= 371, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 130, 89,
igr2= 93, 94,
&end
#
# 0 AMB 20-2:372 6 ASP HB- 4.50 (# 372:20 Single Ambig)
&rst
ixpk= 372, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 361, 72,
igr2= 93, 94,
&end
#
# 0 AMB 20-2:373 6 ASP HB- 4.50 (# 373:20 Single Ambig)
&rst
ixpk= 373, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 91, 775, 776,
igr2= 93, 94,
&end
#
# 0 AMB 20-2:374 6 ASP HB- 4.50 (# 374:20 Single Ambig)
&rst
ixpk= 374, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 124, 125, 124, 125,
igr2= 93, 94,
&end
#
# 0 AMB 20-2:375 0 AMB 20-1:375 4.50 (# 375:20 Double Ambig)
&rst
ixpk= 375, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 361, 72,
igr2= 93, 94, 93, 94,
&end
#
# 47 TYR HA 47 TYR HB+ 3.50 (# 376:20 Unique 2.24, 2.54 A)
&rst
ixpk= 376, nxpk= 20, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 754, 755,
&end
#
# 0 AMB 20-2:377 0 AMB 20-1:377 3.50 (# 377:20 Double Ambig)
&rst
ixpk= 377, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 817, 818, 817, 818, 817, 818,
igr2= 823, 824, 823, 824, 823, 824,
&end
#
# 0 AMB 20-2:378 0 AMB 20-1:378 2.80 (# 378:20 Double Ambig)
&rst
ixpk= 378, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 820, 821, 820, 821,
igr2= 823, 824, 823, 824,
&end
#
# 47 TYR HA 47 TYR HB- 3.50 (# 379:20 Unique 2.24, 2.54 A)
&rst
ixpk= 379, nxpk= 20, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 754, 755,
&end
#
# 48 CYS HN 47 TYR HB+ 4.50 (# 380:20 Unique 2.46, 3.63 A)
&rst
ixpk= 380, nxpk= 20, iat= 771, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 754, 755,
&end
#
# 78 ILE QD1 47 TYR HB+ 4.50 (# 381:20 Unique 2.19, 4.06 A)
&rst
ixpk= 381, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1211,1212,1213,
igr2= 754, 755,
&end
#
# 72 ALA MB 47 TYR HB- 3.50 (# 382:20 Unique 2.00, 4.20 A)
&rst
ixpk= 382, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1125,1126,1127,
igr2= 754, 755,
&end
#
# 78 ILE QD1 47 TYR HB- 3.50 (# 383:20 Unique 2.19, 4.06 A)
&rst
ixpk= 383, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1211,1212,1213,
igr2= 754, 755,
&end
#
# 0 AMB 20-2:385 0 AMB 20-1:385 2.80 (# 385:20 Double Ambig)
&rst
ixpk= 385, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1265,1266,1268,1269,
igr2=1271,1272,1271,1272,
&end
#
# 82 LYS HG- 82 LYS HE+ 5.50 (# 386:20 Unique 2.04, 2.97 A)
&rst
ixpk= 386, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1265,1266,
igr2=1271,1272,
&end
#
# 82 LYS HG- 82 LYS HE- 4.50 (# 387:20 Unique 2.04, 2.97 A)
&rst
ixpk= 387, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1265,1266,
igr2=1271,1272,
&end
#
# 0 AMB 20-2:389 82 LYS HE- 3.50 (# 389:20 Single Ambig)
&rst
ixpk= 389, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1=1202,1268,1269,1262,1263,
igr2=1271,1272,
&end
#
# 0 AMB 20-2:390 82 LYS HE- 3.50 (# 390:20 Single Ambig)
&rst
ixpk= 390, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160,
igr2=1271,1272,
&end
#
# 27 LYS HN 26 LEU HB+ 3.50 (# 391:20 Unique 2.68, 3.46 A)
&rst
ixpk= 391, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 410, 411,
&end
#
# 26 LEU HG 26 LEU HB+ 3.50 (# 392:20 Unique 2.31, 2.78 A)
&rst
ixpk= 392, nxpk= 20, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 410, 411,
&end
#
# 26 LEU HG 26 LEU HB- 3.50 (# 394:20 Unique 2.31, 2.78 A)
&rst
ixpk= 394, nxpk= 20, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 410, 411,
&end
#
# 76 LYS HN 75 LEU HB+ 4.50 (# 396:20 Unique 1.95, 3.27 A)
&rst
ixpk= 396, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1149,1150,
&end
#
# 75 LEU HN 75 LEU HB+ 4.50 (# 397:20 Unique 2.04, 2.64 A)
&rst
ixpk= 397, nxpk= 20, iat=1145, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1149,1150,
&end
#
# 75 LEU HG 75 LEU HB+ 3.50 (# 398:20 Unique 2.30, 2.71 A)
&rst
ixpk= 398, nxpk= 20, iat=1152, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1149,1150,
&end
#
# 26 LEU HN 26 LEU HB+ 3.50 (# 399:20 Unique 2.29, 2.57 A)
&rst
ixpk= 399, nxpk= 20, iat= 406, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 410, 411,
&end
#
# 0 AMB 20-2:400 0 AMB 20-1:400 3.50 (# 400:20 Double Ambig)
&rst
ixpk= 400, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 408, 891,
igr2= 410, 411, 410, 411,
&end
#
# 0 AMB 20-2:401 0 AMB 20-1:401 3.50 (# 401:20 Double Ambig)
&rst
ixpk= 401, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 415, 416, 417, 419, 420, 421, 415, 416, 417, 419,
420, 421,
igr2= 410, 411, 410, 411,
&end
#
# 75 LEU HN 75 LEU HB- 3.50 (# 402:20 Unique 2.04, 2.64 A)
&rst
ixpk= 402, nxpk= 20, iat=1145, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1149,1150,
&end
#
# 75 LEU HA 75 LEU HB- 4.50 (# 403:20 Unique 2.34, 2.79 A)
&rst
ixpk= 403, nxpk= 20, iat=1147, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1149,1150,
&end
#
# 75 LEU HG 75 LEU HB- 3.50 (# 404:20 Unique 2.30, 2.71 A)
&rst
ixpk= 404, nxpk= 20, iat=1152, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1149,1150,
&end
#
# 0 AMB 20-2:405 75 LEU HB- 4.50 (# 405:20 Single Ambig)
&rst
ixpk= 405, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160,
igr2=1149,1150,
&end
#
# 26 LEU HN 26 LEU HB- 3.50 (# 406:20 Unique 2.29, 2.57 A)
&rst
ixpk= 406, nxpk= 20, iat= 406, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 410, 411,
&end
#
# 0 AMB 20-2:407 26 LEU HB- 3.50 (# 407:20 Single Ambig)
&rst
ixpk= 407, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 408, 891,
igr2= 410, 411,
&end
#
# 0 AMB 20-2:408 26 LEU HB- 4.50 (# 408:20 Single Ambig)
&rst
ixpk= 408, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 844, 845, 105,
igr2= 410, 411,
&end
#
# 0 AMB 20-2:409 26 LEU HB- 3.50 (# 409:20 Single Ambig)
&rst
ixpk= 409, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 415, 416, 417, 419, 420, 421, 415, 416, 417, 419,
420, 421,
igr2= 410, 411,
&end
#
# 0 AMB 20-2:410 0 AMB 20-1:410 2.80 (# 410:20 Double Ambig)
&rst
ixpk= 410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 641, 642, 641, 642, 644, 645,
igr2= 647, 648, 647, 648, 647, 648,
&end
#
# 40 LYS HG- 0 AMB 20-1:411 3.50 (# 411:20 Single Ambig)
&rst
ixpk= 411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 641, 642,
igr2= 647, 648, 647, 648,
&end
#
# 43 THR MG2 45 LYS HE+ 4.50 (# 412:20 Unique 2.05, 4.56 A)
&rst
ixpk= 412, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 688, 689, 690,
igr2= 725, 726,
&end
#
# 45 LYS HD+ 45 LYS HE+ 4.50 (# 413:20 Unique 2.22, 2.69 A)
&rst
ixpk= 413, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 722, 723,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:414 0 AMB 20-1:414 3.50 (# 414:20 Double Ambig)
&rst
ixpk= 414, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 719, 720, 722, 723,
igr2= 725, 726, 725, 726,
&end
#
# 45 LYS HG- 45 LYS HE+ 4.50 (# 415:20 Unique 2.00, 2.96 A)
&rst
ixpk= 415, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 719, 720,
igr2= 725, 726,
&end
#
# 43 THR MG2 45 LYS HE- 3.50 (# 416:20 Unique 2.05, 4.56 A)
&rst
ixpk= 416, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 688, 689, 690,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:417 45 LYS HE- 3.50 (# 417:20 Single Ambig)
&rst
ixpk= 417, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 719, 720, 722, 723,
igr2= 725, 726,
&end
#
# 45 LYS HG- 45 LYS HE- 4.50 (# 418:20 Unique 2.00, 2.96 A)
&rst
ixpk= 418, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 719, 720,
igr2= 725, 726,
&end
#
# 58 LYS HD+ 58 LYS HE+ 4.50 (# 419:20 Unique 2.22, 2.69 A)
&rst
ixpk= 419, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 909, 910,
igr2= 912, 913,
&end
#
# 0 AMB 20-2:420 0 AMB 20-1:420 4.50 (# 420:20 Double Ambig)
&rst
ixpk= 420, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 909, 910, 903, 904,
igr2= 912, 913, 912, 913,
&end
#
# 0 AMB 20-2:421 0 AMB 20-1:421 3.50 (# 421:20 Double Ambig)
&rst
ixpk= 421, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 906, 907, 906, 907,
igr2= 912, 913, 912, 913,
&end
#
# 0 AMB 20-2:422 58 LYS HE- 4.50 (# 422:20 Single Ambig)
&rst
ixpk= 422, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 909, 910, 903, 904,
igr2= 912, 913,
&end
#
# 0 AMB 20-2:424 0 AMB 20-1:424 2.80 (# 424:20 Double Ambig)
&rst
ixpk= 424, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
igr1= 482, 483,1174,1175,1174,1175,1174,1175, 909, 910,
488, 489, 488, 489, 488, 489,
igr2= 491, 492, 491, 492,1177,1178,1177,1178,1177,1178,
912, 913, 491, 492, 491, 492,
&end
#
# 0 AMB 20-2:425 0 AMB 20-1:425 3.50 (# 425:20 Double Ambig)
&rst
ixpk= 425, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.44, r4= 9.19,
igr1= 488, 489, 488, 489, 488, 489,1300,1301,1306,1307,
1306,1307,1306,1307,
igr2= 491, 492, 491, 492, 491, 492,1309,1310,1309,1310,
1309,1310,1309,1310,
&end
#
# 77 ASP HN 77 ASP HB+ 4.50 (# 426:20 Unique 2.07, 2.99 A)
&rst
ixpk= 426, nxpk= 20, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1190,1191,
&end
#
# 0 AMB 20-2:427 0 AMB 20-1:427 3.50 (# 427:20 Double Ambig)
&rst
ixpk= 427, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1188, 260,
igr2=1190,1191,1309,1310,1309,1310,
&end
#
# 0 AMB 20-2:428 0 AMB 20-1:428 3.50 (# 428:20 Double Ambig)
&rst
ixpk= 428, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1303,1304,1303,1304,1303,1304,
igr2=1309,1310,1309,1310,1309,1310,
&end
#
# 77 ASP HN 77 ASP HB- 3.50 (# 429:20 Unique 2.07, 2.99 A)
&rst
ixpk= 429, nxpk= 20, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1190,1191,
&end
#
# 77 ASP HA 77 ASP HB- 3.50 (# 430:20 Unique 2.39, 2.81 A)
&rst
ixpk= 430, nxpk= 20, iat=1188, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1190,1191,
&end
#
# 42 ASP HN 42 ASP HB- 4.50 (# 432:20 Unique 2.10, 3.06 A)
&rst
ixpk= 432, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 674, 675,
&end
#
# 42 ASP HA 42 ASP HB- 3.50 (# 433:20 Unique 2.35, 2.77 A)
&rst
ixpk= 433, nxpk= 20, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 674, 675,
&end
#
# 42 ASP HN 0 AMB 20-1:434 3.50 (# 434:20 Single Ambig)
&rst
ixpk= 434, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 626, 627, 674, 675,
&end
#
# 37 VAL MGY 0 AMB 20-1:435 3.50 (# 435:20 Single Ambig)
&rst
ixpk= 435, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 626, 627, 674, 675,
&end
#
# 39 ASP HN 39 ASP HB+ 3.50 (# 436:20 Unique 2.17, 2.94 A)
&rst
ixpk= 436, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 626, 627,
&end
#
# 39 ASP HA 39 ASP HB+ 3.50 (# 437:20 Unique 2.35, 2.80 A)
&rst
ixpk= 437, nxpk= 20, iat= 624, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 626, 627,
&end
#
# 3 HIS HD2 42 ASP HB- 4.50 (# 438:20 Unique 3.57, 5.06 A)
&rst
ixpk= 438, nxpk= 20, iat= 42, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 674, 675,
&end
#
# 37 VAL MGY 42 ASP HB- 4.50 (# 439:20 Unique 2.95, 5.54 A)
&rst
ixpk= 439, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 674, 675,
&end
#
# 43 THR HN 42 ASP HB- 3.50 (# 440:20 Unique 1.95, 3.33 A)
&rst
ixpk= 440, nxpk= 20, iat= 682, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 674, 675,
&end
#
# 39 ASP HN 39 ASP HB- 3.50 (# 441:20 Unique 2.17, 2.94 A)
&rst
ixpk= 441, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 626, 627,
&end
#
# 39 ASP HA 39 ASP HB- 3.50 (# 442:20 Unique 2.35, 2.80 A)
&rst
ixpk= 442, nxpk= 20, iat= 624, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 626, 627,
&end
#
# 61 LEU HN 61 LEU HB+ 3.50 (# 443:20 Unique 2.09, 2.87 A)
&rst
ixpk= 443, nxpk= 20, iat= 955, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 959, 960,
&end
#
# 0 AMB 20-2:444 0 AMB 20-1:444 4.50 (# 444:20 Double Ambig)
&rst
ixpk= 444, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 957, 978, 979, 978, 979,
igr2= 959, 960, 959, 960, 959, 960,
&end
#
# 61 LEU HG 61 LEU HB+ 3.50 (# 445:20 Unique 2.44, 2.78 A)
&rst
ixpk= 445, nxpk= 20, iat= 962, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 959, 960,
&end
#
# 0 AMB 20-2:446 0 AMB 20-1:446 3.50 (# 446:20 Double Ambig)
&rst
ixpk= 446, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
969, 970,
igr2= 959, 960, 959, 960,
&end
#
# 61 LEU HN 61 LEU HB- 4.50 (# 447:20 Unique 2.09, 2.87 A)
&rst
ixpk= 447, nxpk= 20, iat= 955, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 959, 960,
&end
#
# 0 AMB 20-2:448 61 LEU HB- 3.50 (# 448:20 Single Ambig)
&rst
ixpk= 448, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 957, 978, 979, 978, 979,
igr2= 959, 960,
&end
#
# 66 TYR HB- 61 LEU HB- 3.50 (# 449:20 Unique 1.99, 4.53 A)
&rst
ixpk= 449, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1028,1029,
igr2= 959, 960,
&end
#
# 61 LEU HG 61 LEU HB- 4.50 (# 450:20 Unique 2.44, 2.78 A)
&rst
ixpk= 450, nxpk= 20, iat= 962, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 959, 960,
&end
#
# 0 AMB 20-2:451 61 LEU HB- 3.50 (# 451:20 Single Ambig)
&rst
ixpk= 451, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2= 959, 960,
&end
#
# 0 AMB 20-2:452 61 LEU HB- 3.50 (# 452:20 Single Ambig)
&rst
ixpk= 452, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
969, 970,
igr2= 959, 960,
&end
#
# 23 ASN HN 22 ILE HB 4.50 (# 453:20 Unique 3.71, 4.03 A)
&rst
ixpk= 453, nxpk= 20, iat= 359, 344, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 ILE HA 22 ILE HB 3.50 (# 454:20 Unique 2.49, 2.52 A)
&rst
ixpk= 454, nxpk= 20, iat= 342, 344, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 ILE HG1+ 22 ILE HB 3.50 (# 455:20 Unique 2.45, 2.81 A)
&rst
ixpk= 455, nxpk= 20, iat= -1, 344, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 350, 351,
&end
#
# 22 ILE HN 22 ILE HB 3.50 (# 456:20 Unique 2.37, 2.81 A)
&rst
ixpk= 456, nxpk= 20, iat= 340, 344, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 ILE HG1- 22 ILE HB 3.50 (# 457:20 Unique 2.45, 2.81 A)
&rst
ixpk= 457, nxpk= 20, iat= -1, 344, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 350, 351,
&end
#
# 49 ASN HN 48 CYS HB+ 4.50 (# 458:20 Unique 1.91, 2.77 A)
&rst
ixpk= 458, nxpk= 20, iat= 782, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 775, 776,
&end
#
# 7 VAL MGX 48 CYS HB- 4.50 (# 459:20 Unique 1.99, 5.56 A)
&rst
ixpk= 459, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 775, 776,
&end
#
# 7 VAL MGX 48 CYS HB+ 4.50 (# 461:20 Unique 1.99, 5.56 A)
&rst
ixpk= 461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 775, 776,
&end
#
# 49 ASN HN 48 CYS HB- 3.50 (# 463:20 Unique 1.91, 2.77 A)
&rst
ixpk= 463, nxpk= 20, iat= 782, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 775, 776,
&end
#
# 0 AMB 20-2:464 48 CYS HB- 5.50 (# 464:20 Single Ambig)
&rst
ixpk= 464, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 190, 191, 399, 400,
igr2= 775, 776,
&end
#
# 41 ASN HN 41 ASN HB+ 4.50 (# 465:20 Unique 2.14, 3.10 A)
&rst
ixpk= 465, nxpk= 20, iat= 656, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 660, 661,
&end
#
# 41 ASN HD2+ 41 ASN HB+ 4.50 (# 466:20 Unique 2.12, 3.22 A)
&rst
ixpk= 466, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 665, 666,
igr2= 660, 661,
&end
#
# 41 ASN HA 41 ASN HB+ 3.50 (# 467:20 Unique 2.40, 2.78 A)
&rst
ixpk= 467, nxpk= 20, iat= 658, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 660, 661,
&end
#
# 41 ASN HN 41 ASN HB- 3.50 (# 468:20 Unique 2.14, 3.10 A)
&rst
ixpk= 468, nxpk= 20, iat= 656, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 660, 661,
&end
#
# 41 ASN HD2+ 41 ASN HB- 3.50 (# 469:20 Unique 2.12, 3.22 A)
&rst
ixpk= 469, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 665, 666,
igr2= 660, 661,
&end
#
# 41 ASN HA 41 ASN HB- 3.50 (# 470:20 Unique 2.40, 2.78 A)
&rst
ixpk= 470, nxpk= 20, iat= 658, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 660, 661,
&end
#
# 0 AMB 20-2:471 0 AMB 20-1:471 2.80 (# 471:20 Double Ambig)
&rst
ixpk= 471, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 702, 703, 704, 706, 707, 708, 949, 950, 951,
igr2= 74, 940,
&end
#
# 0 AMB 20-2:472 48 CYS HB- 4.50 (# 472:20 Single Ambig)
&rst
ixpk= 472, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 738, 800, 801, 802, 410, 411,
igr2= 775, 776,
&end
#
# 78 ILE HG1- 78 ILE HB 3.50 (# 473:20 Unique 2.43, 2.78 A)
&rst
ixpk= 473, nxpk= 20, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1208,1209,
&end
#
# 78 ILE HN 78 ILE HB 3.50 (# 474:20 Unique 2.51, 2.59 A)
&rst
ixpk= 474, nxpk= 20, iat=1198,1202, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 78 ILE QD1 78 ILE HB 3.50 (# 475:20 Unique 2.03, 3.04 A)
&rst
ixpk= 475, nxpk= 20, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1211,1212,1213,
&end
#
# 60 ILE HN 60 ILE HB 3.50 (# 476:20 Unique 3.60, 3.61 A)
&rst
ixpk= 476, nxpk= 20, iat= 936, 940, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 ILE HA 60 ILE HB 4.50 (# 477:20 Unique 2.37, 2.45 A)
&rst
ixpk= 477, nxpk= 20, iat= 938, 940, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 5 ILE HN 5 ILE HB 3.50 (# 478:20 Unique 2.55, 2.60 A)
&rst
ixpk= 478, nxpk= 20, iat= 70, 74, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 46 VAL HA 5 ILE HB 4.50 (# 479:20 Unique 3.96, 4.35 A)
&rst
ixpk= 479, nxpk= 20, iat= 736, 74, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:480 0 AMB 20-1:480 2.80 (# 480:20 Double Ambig)
&rst
ixpk= 480, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 946, 947, 80, 81, 80, 81,
igr2= 940, 74,
&end
#
# 0 AMB 20-2:481 0 AMB 20-1:481 2.80 (# 481:20 Double Ambig)
&rst
ixpk= 481, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 76, 77, 78, 942, 943, 944,
igr2= 74, 940,
&end
#
# 78 ILE QG2 78 ILE HB 2.80 (# 482:20 Unique 2.22, 2.63 A)
&rst
ixpk= 482, nxpk= 20, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1204,1205,1206,
&end
#
# 0 AMB 20-2:483 78 ILE HB 4.50 (# 483:20 Single Ambig)
&rst
ixpk= 483, nxpk= 20, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1208,1209,1265,1266,
&end
#
# 49 ASN HD2- 49 ASN HB+ 3.50 (# 484:20 Unique 2.45, 3.48 A)
&rst
ixpk= 484, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 791, 792,
igr2= 786, 787,
&end
#
# 49 ASN HN 49 ASN HB+ 4.50 (# 485:20 Unique 2.10, 2.64 A)
&rst
ixpk= 485, nxpk= 20, iat= 782, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 786, 787,
&end
#
# 49 ASN HA 49 ASN HB+ 3.50 (# 486:20 Unique 2.34, 2.80 A)
&rst
ixpk= 486, nxpk= 20, iat= 784, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 786, 787,
&end
#
# 49 ASN HA 49 ASN HB- 3.50 (# 487:20 Unique 2.34, 2.80 A)
&rst
ixpk= 487, nxpk= 20, iat= 784, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 786, 787,
&end
#
# 49 ASN HD2- 49 ASN HB- 3.50 (# 488:20 Unique 2.45, 3.48 A)
&rst
ixpk= 488, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 791, 792,
igr2= 786, 787,
&end
#
# 24 ILE HN 24 ILE HB 4.50 (# 489:20 Unique 2.74, 2.86 A)
&rst
ixpk= 489, nxpk= 20, iat= 373, 377, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 24 ILE HG1- 24 ILE HB 3.50 (# 490:20 Unique 2.41, 2.75 A)
&rst
ixpk= 490, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 383, 384,
&end
#
# 0 AMB 20-2:491 24 ILE HB 3.50 (# 491:20 Single Ambig)
&rst
ixpk= 491, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 383, 384, 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:492 24 ILE HB 2.80 (# 492:20 Single Ambig)
&rst
ixpk= 492, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 76, 77, 78, 379, 380, 381, 386, 387, 388,
&end
#
# 0 AMB 20-2:493 24 ILE HB 4.50 (# 493:20 Single Ambig)
&rst
ixpk= 493, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 519, 520, 522, 523, 344, 74,
&end
#
# 23 ASN HN 23 ASN HB+ 3.50 (# 494:20 Unique 2.23, 2.66 A)
&rst
ixpk= 494, nxpk= 20, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 363, 364,
&end
#
# 23 ASN HN 23 ASN HB- 4.50 (# 495:20 Unique 2.23, 2.66 A)
&rst
ixpk= 495, nxpk= 20, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 363, 364,
&end
#
# 23 ASN HA 23 ASN HB- 4.50 (# 496:20 Unique 2.34, 2.72 A)
&rst
ixpk= 496, nxpk= 20, iat= 361, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 363, 364,
&end
#
# 33 ILE HA 33 ILE HB 2.80 (# 497:20 Unique 2.45, 2.51 A)
&rst
ixpk= 497, nxpk= 20, iat= 541, 543, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 33 ILE HN 33 ILE HB 2.80 (# 498:20 Unique 2.34, 2.67 A)
&rst
ixpk= 498, nxpk= 20, iat= 539, 543, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 33 ILE HG1- 33 ILE HB 3.50 (# 499:20 Unique 2.46, 2.78 A)
&rst
ixpk= 499, nxpk= 20, iat= -1, 543, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 549, 550,
&end
#
# 33 ILE QD1 33 ILE HB 2.80 (# 500:20 Unique 2.30, 3.06 A)
&rst
ixpk= 500, nxpk= 20, iat= -1, 543, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 552, 553, 554,
&end
#
# 33 ILE QG2 33 ILE HB 2.80 (# 501:20 Unique 2.24, 2.63 A)
&rst
ixpk= 501, nxpk= 20, iat= -1, 543, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 545, 546, 547,
&end
#
# 14 GLN HN 13 TYR HB+ 4.50 (# 502:20 Unique 2.43, 3.30 A)
&rst
ixpk= 502, nxpk= 20, iat= 224, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 207, 208,
&end
#
# 12 GLN HN 13 TYR HB+ 4.50 (# 503:20 Unique 3.98, 4.50 A)
&rst
ixpk= 503, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 207, 208,
&end
#
# 10 PRO HA 13 TYR HB+ 4.50 (# 504:20 Unique 2.50, 3.07 A)
&rst
ixpk= 504, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 207, 208,
&end
#
# 0 AMB 20-2:505 13 TYR HB- 3.50 (# 505:20 Single Ambig)
&rst
ixpk= 505, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 368, 369, 203,
igr2= 207, 208,
&end
#
# 13 TYR HA 13 TYR HB- 3.50 (# 506:20 Unique 2.32, 2.71 A)
&rst
ixpk= 506, nxpk= 20, iat= 205, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 207, 208,
&end
#
# 71 ASN HN 71 ASN HB+ 3.50 (# 507:20 Unique 2.17, 2.61 A)
&rst
ixpk= 507, nxpk= 20, iat=1107, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1111,1112,
&end
#
# 71 ASN HA 71 ASN HB+ 4.50 (# 508:20 Unique 2.34, 2.72 A)
&rst
ixpk= 508, nxpk= 20, iat=1109, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1111,1112,
&end
#
# 71 ASN HD2+ 71 ASN HB+ 4.50 (# 509:20 Unique 2.16, 3.49 A)
&rst
ixpk= 509, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1116,1117,
igr2=1111,1112,
&end
#
# 71 ASN HA 71 ASN HB- 4.50 (# 510:20 Unique 2.34, 2.72 A)
&rst
ixpk= 510, nxpk= 20, iat=1109, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1111,1112,
&end
#
# 16 GLU HA 16 GLU HG+ 4.50 (# 511:20 Unique 2.10, 3.18 A)
&rst
ixpk= 511, nxpk= 20, iat= 260, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:512 0 AMB 20-1:512 3.50 (# 512:20 Double Ambig)
&rst
ixpk= 512, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1262,1263,1303,1304,1303,1304,
igr2= 265, 266, 265, 266, 265, 266,
&end
#
# 0 AMB 20-2:513 16 GLU HG- 3.50 (# 513:20 Single Ambig)
&rst
ixpk= 513, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1262,1263,1303,1304,1303,1304,
igr2= 265, 266,
&end
#
# 16 GLU HA 16 GLU HG- 4.50 (# 514:20 Unique 2.10, 3.18 A)
&rst
ixpk= 514, nxpk= 20, iat= 260, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:516 0 AMB 20-1:516 2.80 (# 516:20 Double Ambig)
&rst
ixpk= 516, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1= 262, 263, 18, 19, 18, 19, 18, 19,
igr2= 265, 266, 21, 22, 21, 22, 21, 22,
&end
#
# 0 AMB 20-2:517 0 AMB 20-1:517 2.80 (# 517:20 Double Ambig)
&rst
ixpk= 517, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 262, 263, 245, 246, 245, 246,
igr2= 265, 266, 265, 266, 265, 266,
&end
#
# 0 AMB 20-2:518 0 AMB 20-1:518 3.50 (# 518:20 Double Ambig)
&rst
ixpk= 518, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 173, 987,
igr2= 178, 179, 178, 179, 992, 993,
&end
#
# 0 AMB 20-2:519 0 AMB 20-1:519 2.80 (# 519:20 Double Ambig)
&rst
ixpk= 519, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 175, 176, 175, 176, 175, 176,
igr2= 178, 179, 178, 179, 178, 179,
&end
#
# 31 GLU HA 0 AMB 20-1:520 3.50 (# 520:20 Single Ambig)
&rst
ixpk= 520, nxpk= 20, iat= 502, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 507, 508, 507, 508,
&end
#
# 0 AMB 20-2:521 0 AMB 20-1:521 2.80 (# 521:20 Double Ambig)
&rst
ixpk= 521, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 504, 505, 504, 505, 504, 505,
igr2= 507, 508, 507, 508, 507, 508,
&end
#
# 31 GLU HA 0 AMB 20-1:522 4.50 (# 522:20 Single Ambig)
&rst
ixpk= 522, nxpk= 20, iat= 502, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 507, 508, 507, 508,
&end
#
# 28 GLU HN 28 GLU HG+ 5.50 (# 523:20 Unique 2.35, 3.07 A)
&rst
ixpk= 523, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 454, 455,
&end
#
# 28 GLU HA 28 GLU HG+ 3.50 (# 524:20 Unique 2.68, 3.57 A)
&rst
ixpk= 524, nxpk= 20, iat= 449, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 454, 455,
&end
#
# 0 AMB 20-2:525 0 AMB 20-1:525 3.50 (# 525:20 Double Ambig)
&rst
ixpk= 525, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 451, 452, 429, 430,
igr2= 454, 455, 454, 455,
&end
#
# 28 GLU HN 28 GLU HG- 4.50 (# 526:20 Unique 2.35, 3.07 A)
&rst
ixpk= 526, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 454, 455,
&end
#
# 28 GLU HA 28 GLU HG- 3.50 (# 527:20 Unique 2.68, 3.57 A)
&rst
ixpk= 527, nxpk= 20, iat= 449, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 454, 455,
&end
#
# 0 AMB 20-2:529 0 AMB 20-1:529 3.50 (# 529:20 Double Ambig)
&rst
ixpk= 529, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 976,1026,
igr2=1028,1029,1028,1029,
&end
#
# 0 AMB 20-2:531 0 AMB 20-1:531 2.80 (# 531:20 Double Ambig)
&rst
ixpk= 531, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 923, 987,
igr2= 928, 929, 992, 993,
&end
#
# 66 TYR HN 66 TYR HB+ 4.50 (# 532:20 Unique 2.58, 3.20 A)
&rst
ixpk= 532, nxpk= 20, iat=1024, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1028,1029,
&end
#
# 68 HIS HD2 66 TYR HB+ 4.50 (# 533:20 Unique 3.79, 5.24 A)
&rst
ixpk= 533, nxpk= 20, iat=1072, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1028,1029,
&end
#
# 61 LEU HB- 66 TYR HB+ 4.50 (# 534:20 Unique 1.99, 4.53 A)
&rst
ixpk= 534, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 959, 960,
igr2=1028,1029,
&end
#
# 0 AMB 20-2:535 0 AMB 20-1:535 4.50 (# 535:20 Double Ambig)
&rst
ixpk= 535, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2=1028,1029,1028,1029,
&end
#
# 66 TYR HN 66 TYR HB- 3.50 (# 536:20 Unique 2.58, 3.20 A)
&rst
ixpk= 536, nxpk= 20, iat=1024, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1028,1029,
&end
#
# 0 AMB 20-2:537 66 TYR HB- 4.50 (# 537:20 Single Ambig)
&rst
ixpk= 537, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 976,1026,
igr2=1028,1029,
&end
#
# 61 LEU HB- 66 TYR HB- 3.50 (# 538:20 Unique 1.99, 4.53 A)
&rst
ixpk= 538, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 959, 960,
igr2=1028,1029,
&end
#
# 0 AMB 20-2:539 66 TYR HB- 3.50 (# 539:20 Single Ambig)
&rst
ixpk= 539, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2=1028,1029,
&end
#
# 63 GLU HA 63 GLU HG+ 3.50 (# 540:20 Unique 2.20, 2.69 A)
&rst
ixpk= 540, nxpk= 20, iat= 987, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 992, 993,
&end
#
# 59 GLU HN 59 GLU HG+ 3.50 (# 541:20 Unique 1.94, 3.40 A)
&rst
ixpk= 541, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 928, 929,
&end
#
# 59 GLU HN 59 GLU HG- 4.50 (# 542:20 Unique 1.94, 3.40 A)
&rst
ixpk= 542, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 928, 929,
&end
#
# 0 AMB 20-2:543 0 AMB 20-1:543 4.50 (# 543:20 Double Ambig)
&rst
ixpk= 543, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1260, 260,
igr2=1262,1263,1262,1263,
&end
#
# 82 LYS HG- 82 LYS HB+ 3.50 (# 544:20 Unique 2.21, 2.63 A)
&rst
ixpk= 544, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1265,1266,
igr2=1262,1263,
&end
#
# 0 AMB 20-2:545 82 LYS HB- 5.50 (# 545:20 Single Ambig)
&rst
ixpk= 545, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1260, 260,
igr2=1262,1263,
&end
#
# 82 LYS HG- 82 LYS HB- 4.50 (# 546:20 Unique 2.21, 2.63 A)
&rst
ixpk= 546, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1265,1266,
igr2=1262,1263,
&end
#
# 82 LYS HN 82 LYS HB- 5.50 (# 547:20 Unique 2.46, 3.52 A)
&rst
ixpk= 547, nxpk= 20, iat=1258, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1262,1263,
&end
#
# 70 GLU HA 0 AMB 20-1:548 4.50 (# 548:20 Single Ambig)
&rst
ixpk= 548, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1099,1100,1099,1100,
&end
#
# 0 AMB 20-2:549 0 AMB 20-1:549 2.80 (# 549:20 Double Ambig)
&rst
ixpk= 549, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1096,1097,1096,1097,
igr2=1099,1100,1099,1100,
&end
#
# 70 GLU HB- 0 AMB 20-1:550 2.80 (# 550:20 Single Ambig)
&rst
ixpk= 550, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1096,1097,
igr2=1099,1100,1099,1100,
&end
#
# 81 PRO HD- 80 MET HB+ 3.50 (# 551:20 Unique 1.96, 3.42 A)
&rst
ixpk= 551, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1245,1246,
igr2=1231,1232,
&end
#
# 80 MET HG+ 80 MET HB+ 4.50 (# 552:20 Unique 2.21, 2.70 A)
&rst
ixpk= 552, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1234,1235,
igr2=1231,1232,
&end
#
# 18 VAL MGX 80 MET HB+ 3.50 (# 553:20 Unique 2.61, 5.26 A)
&rst
ixpk= 553, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 296, 297, 298, 300, 301, 302,
igr2=1231,1232,
&end
#
# 0 AMB 20-2:554 80 MET HB- 4.50 (# 554:20 Single Ambig)
&rst
ixpk= 554, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
igr2=1231,1232,
&end
#
# 80 MET HA 80 MET HB+ 4.50 (# 555:20 Unique 2.26, 2.75 A)
&rst
ixpk= 555, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1231,1232,
&end
#
# 53 GLN HN 53 GLN HG+ 3.50 (# 556:20 Unique 2.68, 3.79 A)
&rst
ixpk= 556, nxpk= 20, iat= 837, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 844, 845,
&end
#
# 0 AMB 20-2:557 0 AMB 20-1:557 3.50 (# 557:20 Double Ambig)
&rst
ixpk= 557, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 399, 400, 876, 877,
igr2= 844, 845, 844, 845,
&end
#
# 9 VAL HA 53 GLN HG+ 4.50 (# 558:20 Unique 3.57, 4.08 A)
&rst
ixpk= 558, nxpk= 20, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 844, 845,
&end
#
# 49 ASN HB- 53 GLN HG+ 5.50 (# 559:20 Unique 5.97, 7.31 A)
&rst
ixpk= 559, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 786, 787,
igr2= 844, 845,
&end
#
# 9 VAL HA 53 GLN HG- 4.50 (# 560:20 Unique 3.57, 4.08 A)
&rst
ixpk= 560, nxpk= 20, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 844, 845,
&end
#
# 26 LEU MDX 53 GLN HG- 3.50 (# 561:20 Unique 2.24, 5.42 A)
&rst
ixpk= 561, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 844, 845,
&end
#
# 64 MET HA 64 MET HB+ 3.50 (# 562:20 Unique 2.30, 2.80 A)
&rst
ixpk= 562, nxpk= 20, iat=1002, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1004,1005,
&end
#
# 64 MET HG+ 64 MET HB+ 3.50 (# 563:20 Unique 2.20, 2.63 A)
&rst
ixpk= 563, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1007,1008,
igr2=1004,1005,
&end
#
# 0 AMB 20-2:564 0 AMB 20-1:564 3.50 (# 564:20 Double Ambig)
&rst
ixpk= 564, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1007,1008, 786, 787,
igr2=1004,1005, 193, 194,
&end
#
# 12 GLN HA 12 GLN HG+ 3.50 (# 565:20 Unique 2.28, 3.08 A)
&rst
ixpk= 565, nxpk= 20, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 193, 194,
&end
#
# 0 AMB 20-2:566 0 AMB 20-1:566 3.50 (# 566:20 Double Ambig)
&rst
ixpk= 566, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1000, 198, 199,
igr2=1004,1005, 193, 194,
&end
#
# 0 AMB 20-2:567 84 LYS HB- 2.80 (# 567:20 Single Ambig)
&rst
ixpk= 567, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1303,1304,1303,1304,
igr2=1300,1301,
&end
#
# 0 AMB 20-2:568 0 AMB 20-1:568 3.50 (# 568:20 Double Ambig)
&rst
ixpk= 568, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 245, 246, 245, 246, 190, 191,
igr2= 193, 194, 193, 194, 193, 194,
&end
#
# 9 VAL MGX 12 GLN HG+ 4.50 (# 569:20 Unique 2.05, 4.67 A)
&rst
ixpk= 569, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 147, 148, 149, 151, 152, 153,
igr2= 193, 194,
&end
#
# 12 GLN HB- 12 GLN HG+ 3.50 (# 570:20 Unique 2.22, 2.65 A)
&rst
ixpk= 570, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 190, 191,
igr2= 193, 194,
&end
#
# 9 VAL MGX 12 GLN HG- 3.50 (# 571:20 Unique 2.05, 4.67 A)
&rst
ixpk= 571, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 147, 148, 149, 151, 152, 153,
igr2= 193, 194,
&end
#
# 84 LYS HN 84 LYS HB+ 4.50 (# 572:20 Unique 2.18, 2.90 A)
&rst
ixpk= 572, nxpk= 20, iat=1296, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1300,1301,
&end
#
# 84 LYS HA 84 LYS HB+ 3.50 (# 573:20 Unique 2.43, 2.79 A)
&rst
ixpk= 573, nxpk= 20, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1300,1301,
&end
#
# 0 AMB 20-2:574 0 AMB 20-1:574 3.50 (# 574:20 Double Ambig)
&rst
ixpk= 574, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1303,1304,1303,1304,
igr2=1300,1301,1300,1301,
&end
#
# 84 LYS HN 84 LYS HB- 3.50 (# 575:20 Unique 2.18, 2.90 A)
&rst
ixpk= 575, nxpk= 20, iat=1296, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1300,1301,
&end
#
# 84 LYS HA 84 LYS HB- 4.50 (# 576:20 Unique 2.43, 2.79 A)
&rst
ixpk= 576, nxpk= 20, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1300,1301,
&end
#
# 0 AMB 20-2:577 83 VAL HB 4.50 (# 577:20 Single Ambig)
&rst
ixpk= 577, nxpk= 20, iat= -1,1284, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1280, 283,
&end
#
# 84 LYS HN 83 VAL HB 3.50 (# 578:20 Unique 2.33, 2.93 A)
&rst
ixpk= 578, nxpk= 20, iat=1296,1284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 VAL HA 83 VAL HB 3.50 (# 579:20 Unique 2.42, 2.50 A)
&rst
ixpk= 579, nxpk= 20, iat=1282,1284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 VAL MGY 83 VAL HB 3.50 (# 580:20 Unique 2.22, 2.63 A)
&rst
ixpk= 580, nxpk= 20, iat= -1,1284, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 83 VAL MGX 83 VAL HB 3.50 (# 581:20 Unique 2.22, 2.63 A)
&rst
ixpk= 581, nxpk= 20, iat= -1,1284, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 56 GLN HA 0 AMB 20-1:582 3.50 (# 582:20 Single Ambig)
&rst
ixpk= 582, nxpk= 20, iat= 874, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 879, 880, 879, 880,
&end
#
# 56 GLN HB- 0 AMB 20-1:583 2.80 (# 583:20 Single Ambig)
&rst
ixpk= 583, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 876, 877,
igr2= 879, 880, 879, 880,
&end
#
# 0 AMB 20-2:584 0 AMB 20-1:584 2.80 (# 584:20 Double Ambig)
&rst
ixpk= 584, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 884, 885, 884, 885, 872,
igr2= 879, 880, 879, 880, 879, 880,
&end
#
# 44 VAL HN 44 VAL HB 3.50 (# 585:20 Unique 2.53, 2.70 A)
&rst
ixpk= 585, nxpk= 20, iat= 696, 700, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 69 VAL HA 44 VAL HB 3.50 (# 586:20 Unique 2.75, 3.23 A)
&rst
ixpk= 586, nxpk= 20, iat=1078, 700, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:587 44 VAL HB 2.80 (# 587:20 Single Ambig)
&rst
ixpk= 587, nxpk= 20, iat= -1, 700, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088, 702, 703, 704, 706, 707, 708,
&end
#
# 44 VAL MGX 44 VAL HB 2.80 (# 588:20 Unique 2.22, 2.63 A)
&rst
ixpk= 588, nxpk= 20, iat= -1, 700, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:589 46 VAL HB 3.50 (# 589:20 Single Ambig)
&rst
ixpk= 589, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 750, 734,
&end
#
# 46 VAL HA 46 VAL HB 3.50 (# 590:20 Unique 2.44, 2.50 A)
&rst
ixpk= 590, nxpk= 20, iat= 736, 738, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 7 VAL MGY 46 VAL HB 3.50 (# 591:20 Unique 2.00, 3.52 A)
&rst
ixpk= 591, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 15 GLN HA 15 GLN HG- 3.50 (# 592:20 Unique 2.03, 3.07 A)
&rst
ixpk= 592, nxpk= 20, iat= 243, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 248, 249,
&end
#
# 0 AMB 20-2:593 15 GLN HG- 2.80 (# 593:20 Single Ambig)
&rst
ixpk= 593, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 190, 191, 245, 246, 245, 246,
igr2= 248, 249,
&end
#
# 0 AMB 20-2:594 46 VAL HB 3.50 (# 594:20 Single Ambig)
&rst
ixpk= 594, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 856, 858, 859,
&end
#
# 15 GLN HN 15 GLN HG+ 4.50 (# 595:20 Unique 2.41, 3.57 A)
&rst
ixpk= 595, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 248, 249,
&end
#
# 0 AMB 20-2:596 0 AMB 20-1:596 3.50 (# 596:20 Double Ambig)
&rst
ixpk= 596, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 190, 191, 245, 246, 245, 246,
igr2= 248, 249, 248, 249, 248, 249,
&end
#
# 14 GLN HN 0 AMB 20-1:597 4.50 (# 597:20 Single Ambig)
&rst
ixpk= 597, nxpk= 20, iat= 224, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 231, 232, 231, 232,
&end
#
# 14 GLN HA 0 AMB 20-1:598 3.50 (# 598:20 Single Ambig)
&rst
ixpk= 598, nxpk= 20, iat= 226, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 231, 232, 231, 232,
&end
#
# 0 AMB 20-2:599 0 AMB 20-1:599 2.80 (# 599:20 Double Ambig)
&rst
ixpk= 599, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 228, 229, 228, 229, 228, 229,
igr2= 231, 232, 231, 232, 231, 232,
&end
#
# 69 VAL HA 69 VAL HB 3.50 (# 600:20 Unique 2.52, 3.00 A)
&rst
ixpk= 600, nxpk= 20, iat=1078,1080, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 70 GLU HN 0 AMB 20-1:601 3.50 (# 601:20 Single Ambig)
&rst
ixpk= 601, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1096,1097,1080,
&end
#
# 70 GLU HA 70 GLU HB+ 4.50 (# 602:20 Unique 2.50, 2.82 A)
&rst
ixpk= 602, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1096,1097,
&end
#
# 70 GLU HN 70 GLU HB- 4.50 (# 603:20 Unique 2.15, 2.75 A)
&rst
ixpk= 603, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1096,1097,
&end
#
# 70 GLU HA 70 GLU HB- 4.50 (# 604:20 Unique 2.50, 2.82 A)
&rst
ixpk= 604, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1096,1097,
&end
#
# 19 GLN HA 19 GLN HG+ 4.50 (# 605:20 Unique 2.06, 2.88 A)
&rst
ixpk= 605, nxpk= 20, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 313, 314,
&end
#
# 19 GLN HB+ 19 GLN HG+ 3.50 (# 606:20 Unique 2.21, 2.67 A)
&rst
ixpk= 606, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 310, 311,
igr2= 313, 314,
&end
#
# 69 VAL HN 69 VAL HB 3.50 (# 607:20 Unique 2.51, 2.79 A)
&rst
ixpk= 607, nxpk= 20, iat=1076,1080, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:608 0 AMB 20-1:608 2.80 (# 608:20 Double Ambig)
&rst
ixpk= 608, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088, 722, 723,
igr2=1080,1096,1097,
&end
#
# 0 AMB 20-2:609 0 AMB 20-1:609 2.80 (# 609:20 Double Ambig)
&rst
ixpk= 609, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1099,1100,1099,1100,
igr2=1096,1097,1096,1097,
&end
#
# 0 AMB 20-2:610 70 GLU HB- 2.80 (# 610:20 Single Ambig)
&rst
ixpk= 610, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1099,1100,1099,1100,
igr2=1096,1097,
&end
#
# 19 GLN HB- 19 GLN HG+ 3.50 (# 611:20 Unique 2.21, 2.67 A)
&rst
ixpk= 611, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 310, 311,
igr2= 313, 314,
&end
#
# 58 LYS HG- 69 VAL HB 3.50 (# 612:20 Unique 2.24, 3.68 A)
&rst
ixpk= 612, nxpk= 20, iat= -1,1080, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 906, 907,
&end
#
# 0 AMB 20-2:613 0 AMB 20-1:613 3.50 (# 613:20 Double Ambig)
&rst
ixpk= 613, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1=1231,1232,1238,1239,1240,
igr2=1234,1235,1234,1235,
&end
#
# 18 VAL HN 18 VAL HB 3.50 (# 616:20 Unique 2.49, 2.74 A)
&rst
ixpk= 616, nxpk= 20, iat= 290, 294, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:617 0 AMB 20-1:617 2.80 (# 617:20 Double Ambig)
&rst
ixpk= 617, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.01, r4= 5.76,
igr1= 429, 430, 334, 335, 336, 435, 436, 435, 436, 451,
452,
igr2= 399, 400, 294,
&end
#
# 18 VAL MGY 18 VAL HB 2.80 (# 618:20 Unique 2.22, 2.63 A)
&rst
ixpk= 618, nxpk= 20, iat= -1, 294, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:619 0 AMB 20-1:619 3.50 (# 619:20 Double Ambig)
&rst
ixpk= 619, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 158, 159, 158, 159, 402,
igr2= 399, 400, 399, 400, 399, 400,
&end
#
# 0 AMB 20-2:620 0 AMB 20-1:620 3.50 (# 620:20 Double Ambig)
&rst
ixpk= 620, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1265,1266,1231,1232,
igr2=1234,1235,1234,1235,
&end
#
# 78 ILE QG2 80 MET HG+ 4.50 (# 621:20 Unique 2.01, 4.68 A)
&rst
ixpk= 621, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1204,1205,1206,
igr2=1234,1235,
&end
#
# 0 AMB 20-2:622 32 ARG HB- 3.50 (# 622:20 Single Ambig)
&rst
ixpk= 622, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
igr1= 504, 505, 504, 505, 466, 454, 455,
igr2= 519, 520,
&end
#
# 0 AMB 20-2:623 80 MET HG- 4.50 (# 623:20 Single Ambig)
&rst
ixpk= 623, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
igr2=1234,1235,
&end
#
# 0 AMB 20-2:624 80 MET HG- 3.50 (# 624:20 Single Ambig)
&rst
ixpk= 624, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1265,1266,1231,1232,
igr2=1234,1235,
&end
#
# 32 ARG HN 32 ARG HB+ 4.50 (# 625:20 Unique 2.39, 2.97 A)
&rst
ixpk= 625, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 519, 520,
&end
#
# 32 ARG HA 32 ARG HB+ 3.50 (# 626:20 Unique 2.51, 2.83 A)
&rst
ixpk= 626, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 519, 520,
&end
#
# 0 AMB 20-2:627 0 AMB 20-1:627 4.50 (# 627:20 Double Ambig)
&rst
ixpk= 627, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 525, 526, 525, 526,
igr2= 519, 520, 519, 520,
&end
#
# 0 AMB 20-2:628 0 AMB 20-1:628 3.50 (# 628:20 Double Ambig)
&rst
ixpk= 628, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 379, 380, 381, 386, 387, 388,
igr2= 519, 520, 519, 520,
&end
#
# 32 ARG HA 32 ARG HB- 4.50 (# 629:20 Unique 2.51, 2.83 A)
&rst
ixpk= 629, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 519, 520,
&end
#
# 0 AMB 20-2:630 32 ARG HB- 3.50 (# 630:20 Single Ambig)
&rst
ixpk= 630, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 379, 380, 381, 386, 387, 388,
igr2= 519, 520,
&end
#
# 32 ARG HN 32 ARG HB- 3.50 (# 631:20 Unique 2.39, 2.97 A)
&rst
ixpk= 631, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 519, 520,
&end
#
# 25 PRO HG- 25 PRO HB+ 2.80 (# 632:20 Unique 2.32, 2.58 A)
&rst
ixpk= 632, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 396, 397,
igr2= 399, 400,
&end
#
# 2 GLU HA 0 AMB 20-1:634 3.50 (# 634:20 Single Ambig)
&rst
ixpk= 634, nxpk= 20, iat= 16, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 18, 19, 18, 19,
&end
#
# 64 MET HN 64 MET HG+ 3.50 (# 635:20 Unique 2.19, 3.65 A)
&rst
ixpk= 635, nxpk= 20, iat=1000, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1007,1008,
&end
#
# 64 MET HA 64 MET HG+ 4.50 (# 636:20 Unique 2.02, 3.00 A)
&rst
ixpk= 636, nxpk= 20, iat=1002, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1007,1008,
&end
#
# 64 MET HB- 64 MET HG+ 3.50 (# 637:20 Unique 2.20, 2.63 A)
&rst
ixpk= 637, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1004,1005,
igr2=1007,1008,
&end
#
# 64 MET ME 64 MET HG+ 4.50 (# 638:20 Unique 2.02, 3.47 A)
&rst
ixpk= 638, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1011,1012,1013,
igr2=1007,1008,
&end
#
# 64 MET HA 64 MET HG- 3.50 (# 639:20 Unique 2.02, 3.00 A)
&rst
ixpk= 639, nxpk= 20, iat=1002, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1007,1008,
&end
#
# 64 MET HB- 64 MET HG- 3.50 (# 640:20 Unique 2.20, 2.63 A)
&rst
ixpk= 640, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1004,1005,
igr2=1007,1008,
&end
#
# 64 MET ME 64 MET HG- 3.50 (# 641:20 Unique 2.02, 3.47 A)
&rst
ixpk= 641, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1011,1012,1013,
igr2=1007,1008,
&end
#
# 0 AMB 20-2:642 0 AMB 20-1:642 4.50 (# 642:20 Double Ambig)
&rst
ixpk= 642, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 207, 208, 145,
igr2= 164, 165, 164, 165,
&end
#
# 13 TYR HB+ 10 PRO HB+ 5.50 (# 643:20 Unique 4.73, 5.27 A)
&rst
ixpk= 643, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 207, 208,
igr2= 164, 165,
&end
#
# 10 PRO HA 10 PRO HB+ 3.50 (# 644:20 Unique 2.30, 2.51 A)
&rst
ixpk= 644, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 164, 165,
&end
#
# 0 AMB 20-2:645 0 AMB 20-1:645 3.50 (# 645:20 Double Ambig)
&rst
ixpk= 645, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 161, 162, 161, 162,
igr2= 164, 165, 164, 165,
&end
#
# 9 VAL HN 8 ARG HB+ 3.50 (# 647:20 Unique 2.45, 3.46 A)
&rst
ixpk= 647, nxpk= 20, iat= 141, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 121, 122,
&end
#
# 45 LYS HN 0 AMB 20-1:648 4.50 (# 648:20 Single Ambig)
&rst
ixpk= 648, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 716, 717, 716, 717,
&end
#
# 0 AMB 20-2:649 0 AMB 20-1:649 4.50 (# 649:20 Double Ambig)
&rst
ixpk= 649, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 722, 723, 722, 723,
igr2= 716, 717, 716, 717,
&end
#
# 45 LYS HA 0 AMB 20-1:650 3.50 (# 650:20 Single Ambig)
&rst
ixpk= 650, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 716, 717, 716, 717,
&end
#
# 72 ALA MB 0 AMB 20-1:651 4.50 (# 651:20 Single Ambig)
&rst
ixpk= 651, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1125,1126,1127,
igr2= 716, 717, 716, 717,
&end
#
# 0 AMB 20-2:652 0 AMB 20-1:652 2.80 (# 652:20 Double Ambig)
&rst
ixpk= 652, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 722, 723, 719, 720, 719, 720,
igr2= 716, 717, 716, 717, 716, 717,
&end
#
# 0 AMB 20-2:653 0 AMB 20-1:653 4.50 (# 653:20 Double Ambig)
&rst
ixpk= 653, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 158, 159, 158, 159,
igr2= 164, 165, 164, 165,
&end
#
# 38 PRO HD- 38 PRO HB+ 4.50 (# 654:20 Unique 2.98, 3.70 A)
&rst
ixpk= 654, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 609, 610,
igr2= 615, 616,
&end
#
# 38 PRO HA 38 PRO HB+ 2.80 (# 655:20 Unique 2.30, 2.51 A)
&rst
ixpk= 655, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 615, 616,
&end
#
# 8 ARG HA 8 ARG HB+ 4.50 (# 656:20 Unique 2.34, 2.54 A)
&rst
ixpk= 656, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 121, 122,
&end
#
# 11 GLU HN 10 PRO HB- 4.50 (# 657:20 Unique 3.78, 4.11 A)
&rst
ixpk= 657, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 164, 165,
&end
#
# 0 AMB 20-2:658 0 AMB 20-1:658 3.50 (# 658:20 Double Ambig)
&rst
ixpk= 658, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 158, 159, 158, 159, 158, 159,
igr2= 429, 430, 429, 430, 164, 165,
&end
#
# 0 AMB 20-2:659 0 AMB 20-1:659 3.50 (# 659:20 Double Ambig)
&rst
ixpk= 659, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 618, 167,
igr2= 615, 616, 164, 165,
&end
#
# 0 AMB 20-2:660 0 AMB 20-1:660 4.50 (# 660:20 Double Ambig)
&rst
ixpk= 660, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 609, 610, 393, 394,
igr2= 615, 616, 164, 165,
&end
#
# 27 LYS HN 27 LYS HB+ 3.50 (# 661:20 Unique 2.06, 2.81 A)
&rst
ixpk= 661, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 429, 430,
&end
#
# 0 AMB 20-2:662 0 AMB 20-1:662 2.80 (# 662:20 Double Ambig)
&rst
ixpk= 662, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 594, 427, 570,
igr2= 596, 429, 430, 615, 616,
&end
#
# 0 AMB 20-2:663 0 AMB 20-1:663 3.50 (# 663:20 Double Ambig)
&rst
ixpk= 663, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 432, 433, 432, 433,
igr2= 429, 430, 429, 430,
&end
#
# 27 LYS HN 27 LYS HB- 3.50 (# 664:20 Unique 2.06, 2.81 A)
&rst
ixpk= 664, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 429, 430,
&end
#
# 38 PRO HD+ 38 PRO HB- 4.50 (# 665:20 Unique 2.98, 3.70 A)
&rst
ixpk= 665, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 609, 610,
igr2= 615, 616,
&end
#
# 33 ILE HG1- 37 VAL HB 3.50 (# 666:20 Unique 2.27, 3.84 A)
&rst
ixpk= 666, nxpk= 20, iat= -1, 596, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 549, 550,
&end
#
# 0 AMB 20-2:667 37 VAL HB 2.80 (# 667:20 Single Ambig)
&rst
ixpk= 667, nxpk= 20, iat= -1, 596, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 598, 599, 600, 602, 603, 604, 549, 550,
&end
#
# 33 ILE QD1 37 VAL HB 4.50 (# 668:20 Unique 2.00, 3.61 A)
&rst
ixpk= 668, nxpk= 20, iat= -1, 596, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 552, 553, 554,
&end
#
# 37 VAL MGX 37 VAL HB 2.80 (# 669:20 Unique 2.22, 2.63 A)
&rst
ixpk= 669, nxpk= 20, iat= -1, 596, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 598, 599, 600, 602, 603, 604,
&end
#
# 37 VAL HN 37 VAL HB 3.50 (# 670:20 Unique 2.61, 2.78 A)
&rst
ixpk= 670, nxpk= 20, iat= 592, 596, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 LYS HE- 0 AMB 20-1:671 4.50 (# 671:20 Single Ambig)
&rst
ixpk= 671, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 725, 726,
igr2= 18, 19, 18, 19,
&end
#
# 28 GLU HG+ 27 LYS HB+ 2.80 (# 673:20 Unique 2.28, 3.77 A)
&rst
ixpk= 673, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 454, 455,
igr2= 429, 430,
&end
#
# 30 LYS HN 30 LYS HB+ 3.50 (# 674:20 Unique 2.09, 2.76 A)
&rst
ixpk= 674, nxpk= 20, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 482, 483,
&end
#
# 0 AMB 20-2:675 0 AMB 20-1:675 2.80 (# 675:20 Double Ambig)
&rst
ixpk= 675, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1166, 686,
igr2=1168,1169, 18, 19, 18, 19,
&end
#
# 30 LYS HN 30 LYS HB- 3.50 (# 676:20 Unique 2.09, 2.76 A)
&rst
ixpk= 676, nxpk= 20, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 482, 483,
&end
#
# 0 AMB 20-2:677 0 AMB 20-1:677 3.50 (# 677:20 Double Ambig)
&rst
ixpk= 677, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
igr1= 485, 486,1171,1172,1171,1172,1171,1172,
igr2= 482, 483,1174,1175,1174,1175,1174,1175,
&end
#
# 30 LYS HA 30 LYS HB- 3.50 (# 678:20 Unique 2.43, 2.79 A)
&rst
ixpk= 678, nxpk= 20, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 482, 483,
&end
#
# 66 TYR HA 40 LYS HB+ 3.50 (# 679:20 Unique 2.00, 3.07 A)
&rst
ixpk= 679, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 638, 639,
&end
#
# 40 LYS HG- 40 LYS HB+ 4.50 (# 680:20 Unique 2.21, 2.71 A)
&rst
ixpk= 680, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 641, 642,
igr2= 638, 639,
&end
#
# 40 LYS HN 40 LYS HB- 3.50 (# 681:20 Unique 2.52, 3.24 A)
&rst
ixpk= 681, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 638, 639,
&end
#
# 18 VAL HN 17 HIS HB- 4.50 (# 683:20 Unique 2.02, 3.32 A)
&rst
ixpk= 683, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 277, 278,
&end
#
# 17 HIS HA 17 HIS HB- 3.50 (# 684:20 Unique 2.35, 2.50 A)
&rst
ixpk= 684, nxpk= 20, iat= 275, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 277, 278,
&end
#
# 81 PRO HA 81 PRO HB+ 3.50 (# 685:20 Unique 2.30, 2.51 A)
&rst
ixpk= 685, nxpk= 20, iat=1254, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1251,1252,
&end
#
# 0 AMB 20-2:686 0 AMB 20-1:686 2.80 (# 686:20 Double Ambig)
&rst
ixpk= 686, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1248,1249,1248,1249,
igr2=1251,1252,1251,1252,
&end
#
# 0 AMB 20-2:687 0 AMB 20-1:687 3.50 (# 687:20 Double Ambig)
&rst
ixpk= 687, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 158, 159, 158, 159, 480,
igr2= 429, 430, 482, 483,
&end
#
# 0 AMB 20-2:688 0 AMB 20-1:688 4.50 (# 688:20 Double Ambig)
&rst
ixpk= 688, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.76, r4=10.51,
igr1=1152, 468, 469, 470, 472, 473, 474, 415, 416, 417,
419, 420, 421,
igr2= 262, 263, 482, 483, 429, 430,1168,1169,
&end
#
# 0 AMB 20-2:689 0 AMB 20-1:689 2.80 (# 689:20 Double Ambig)
&rst
ixpk= 689, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1303,1304,1303,1304, 485, 486,1171,1172,1171,1172,
igr2= 262, 263, 482, 483,1168,1169,
&end
#
# 40 LYS HA 40 LYS HB+ 3.50 (# 690:20 Unique 2.35, 2.54 A)
&rst
ixpk= 690, nxpk= 20, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 638, 639,
&end
#
# 0 AMB 20-2:691 0 AMB 20-1:691 3.50 (# 691:20 Double Ambig)
&rst
ixpk= 691, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 644, 645, 641, 642,
igr2= 638, 639, 638, 639,
&end
#
# 40 LYS HN 40 LYS HB+ 4.50 (# 692:20 Unique 2.52, 3.24 A)
&rst
ixpk= 692, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 638, 639,
&end
#
# 0 AMB 20-2:693 40 LYS HB- 3.50 (# 693:20 Single Ambig)
&rst
ixpk= 693, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 644, 645, 641, 642,
igr2= 638, 639,
&end
#
# 58 LYS HA 58 LYS HB+ 3.50 (# 694:20 Unique 2.40, 2.81 A)
&rst
ixpk= 694, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 903, 904,
&end
#
# 58 LYS HG+ 58 LYS HB+ 3.50 (# 695:20 Unique 2.21, 2.70 A)
&rst
ixpk= 695, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 906, 907,
igr2= 903, 904,
&end
#
# 0 AMB 20-2:697 0 AMB 20-1:697 2.80 (# 697:20 Double Ambig)
&rst
ixpk= 697, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1166, 560,
igr2=1168,1169, 596,
&end
#
# 76 LYS HN 76 LYS HB+ 3.50 (# 698:20 Unique 2.12, 3.05 A)
&rst
ixpk= 698, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1168,1169,
&end
#
# 0 AMB 20-2:699 0 AMB 20-1:699 2.80 (# 699:20 Double Ambig)
&rst
ixpk= 699, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1171,1172,1171,1172,
igr2=1168,1169,1168,1169,
&end
#
# 0 AMB 20-2:700 0 AMB 20-1:700 4.50 (# 700:20 Double Ambig)
&rst
ixpk= 700, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
igr1=1152, 468, 469, 470, 472, 473, 474,
igr2= 262, 263, 482, 483,1168,1169,
&end
#
# 76 LYS HN 76 LYS HB- 3.50 (# 701:20 Unique 2.12, 3.05 A)
&rst
ixpk= 701, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1168,1169,
&end
#
# 81 PRO HA 81 PRO HB- 3.50 (# 702:20 Unique 2.30, 2.51 A)
&rst
ixpk= 702, nxpk= 20, iat=1254, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1251,1252,
&end
#
# 58 LYS HN 58 LYS HB- 3.50 (# 703:20 Unique 2.07, 2.63 A)
&rst
ixpk= 703, nxpk= 20, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 903, 904,
&end
#
# 58 LYS HA 58 LYS HB- 3.50 (# 704:20 Unique 2.40, 2.81 A)
&rst
ixpk= 704, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 903, 904,
&end
#
# 58 LYS HG+ 58 LYS HB- 2.80 (# 705:20 Unique 2.21, 2.70 A)
&rst
ixpk= 705, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 906, 907,
igr2= 903, 904,
&end
#
# 58 LYS HN 58 LYS HB+ 3.50 (# 706:20 Unique 2.07, 2.63 A)
&rst
ixpk= 706, nxpk= 20, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 903, 904,
&end
#
# 0 AMB 20-2:707 0 AMB 20-1:707 4.50 (# 707:20 Double Ambig)
&rst
ixpk= 707, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.40, r4=11.15,
igr1=1152,1082,1083,1084,1086,1087,1088,1082,1083,1084,
1086,1087,1088, 740, 741, 742, 744, 745, 746,
igr2= 262, 263, 903, 904, 903, 904, 903, 904,
&end
#
# 30 LYS HN 29 VAL HB 4.50 (# 708:20 Unique 2.36, 3.91 A)
&rst
ixpk= 708, nxpk= 20, iat= 478, 466, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 VAL HN 29 VAL HB 2.80 (# 709:20 Unique 2.37, 2.68 A)
&rst
ixpk= 709, nxpk= 20, iat= 462, 466, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:710 58 LYS HB- 4.50 (# 710:20 Single Ambig)
&rst
ixpk= 710, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088, 740, 741, 742, 744, 745, 746,
igr2= 903, 904,
&end
#
# 16 GLU HA 16 GLU HB+ 4.50 (# 711:20 Unique 2.35, 2.66 A)
&rst
ixpk= 711, nxpk= 20, iat= 260, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 262, 263,
&end
#
# 29 VAL MGY 29 VAL HB 2.80 (# 712:20 Unique 2.22, 2.63 A)
&rst
ixpk= 712, nxpk= 20, iat= -1, 466, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL HA 29 VAL HB 3.50 (# 713:20 Unique 2.46, 2.53 A)
&rst
ixpk= 713, nxpk= 20, iat= 464, 466, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:714 29 VAL HB 2.80 (# 714:20 Single Ambig)
&rst
ixpk= 714, nxpk= 20, iat= -1, 466, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 468, 469, 470, 472, 473, 474, 107, 108, 109, 111,
112, 113,
&end
#
# 0 AMB 20-2:715 0 AMB 20-1:715 2.80 (# 715:20 Double Ambig)
&rst
ixpk= 715, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 396, 397, 454, 455,
igr2= 451, 452, 451, 452,
&end
#
# 28 GLU HA 28 GLU HB+ 3.50 (# 716:20 Unique 2.30, 2.59 A)
&rst
ixpk= 716, nxpk= 20, iat= 449, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 451, 452,
&end
#
# 0 AMB 20-2:717 0 AMB 20-1:717 5.50 (# 717:20 Double Ambig)
&rst
ixpk= 717, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 525, 526, 525, 526,
igr2= 451, 452, 451, 452,
&end
#
# 24 ILE QG2 28 GLU HB- 4.50 (# 718:20 Unique 2.77, 6.16 A)
&rst
ixpk= 718, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 379, 380, 381,
igr2= 451, 452,
&end
#
# 28 GLU HN 28 GLU HB- 3.50 (# 719:20 Unique 2.75, 3.52 A)
&rst
ixpk= 719, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 451, 452,
&end
#
# 28 GLU HA 28 GLU HB- 4.50 (# 720:20 Unique 2.30, 2.59 A)
&rst
ixpk= 720, nxpk= 20, iat= 449, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 451, 452,
&end
#
# 0 AMB 20-2:721 7 VAL HB 4.50 (# 721:20 Single Ambig)
&rst
ixpk= 721, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 406, 117,
&end
#
# 7 VAL HA 7 VAL HB 3.50 (# 722:20 Unique 2.45, 2.72 A)
&rst
ixpk= 722, nxpk= 20, iat= 103, 105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:723 7 VAL HB 4.50 (# 723:20 Single Ambig)
&rst
ixpk= 723, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 856, 858, 859, 408,
&end
#
# 26 LEU HB- 7 VAL HB 4.50 (# 724:20 Unique 2.37, 4.41 A)
&rst
ixpk= 724, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 410, 411,
&end
#
# 0 AMB 20-2:725 7 VAL HB 2.80 (# 725:20 Single Ambig)
&rst
ixpk= 725, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 740, 741, 742, 744, 745, 746, 107, 108, 109, 111,
112, 113,
&end
#
# 7 VAL MGX 7 VAL HB 2.80 (# 726:20 Unique 2.22, 2.63 A)
&rst
ixpk= 726, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 31 GLU HN 0 AMB 20-1:727 3.50 (# 727:20 Single Ambig)
&rst
ixpk= 727, nxpk= 20, iat= 500, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 504, 505, 504, 505,
&end
#
# 31 GLU HA 0 AMB 20-1:728 3.50 (# 728:20 Single Ambig)
&rst
ixpk= 728, nxpk= 20, iat= 502, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 504, 505, 504, 505,
&end
#
# 31 GLU HN 0 AMB 20-1:729 3.50 (# 729:20 Single Ambig)
&rst
ixpk= 729, nxpk= 20, iat= 500, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 504, 505, 504, 505,
&end
#
# 0 AMB 20-2:730 0 AMB 20-1:730 2.80 (# 730:20 Double Ambig)
&rst
ixpk= 730, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 507, 508, 507, 508, 507, 508,
igr2= 504, 505, 504, 505, 504, 505,
&end
#
# 31 GLU HA 0 AMB 20-1:731 3.50 (# 731:20 Single Ambig)
&rst
ixpk= 731, nxpk= 20, iat= 502, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 504, 505, 504, 505,
&end
#
# 0 AMB 20-2:732 0 AMB 20-1:732 2.80 (# 732:20 Double Ambig)
&rst
ixpk= 732, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 507, 508, 507, 508, 507, 508,
igr2= 504, 505, 504, 505, 504, 505,
&end
#
# 21 ALA MB 4 TRP HB+ 3.50 (# 733:20 Unique 2.00, 3.14 A)
&rst
ixpk= 733, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 334, 335, 336,
igr2= 50, 51,
&end
#
# 18 VAL HB 4 TRP HB+ 4.50 (# 734:20 Unique 2.67, 4.02 A)
&rst
ixpk= 734, nxpk= 20, iat= 294, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 50, 51,
&end
#
# 18 VAL HB 4 TRP HB- 4.50 (# 735:20 Unique 2.67, 4.02 A)
&rst
ixpk= 735, nxpk= 20, iat= 294, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 50, 51,
&end
#
# 58 LYS HG+ 58 LYS HD+ 2.80 (# 736:20 Unique 2.22, 2.69 A)
&rst
ixpk= 736, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 906, 907,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:737 58 LYS HD- 3.50 (# 737:20 Single Ambig)
&rst
ixpk= 737, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 906, 907, 906, 907,
igr2= 909, 910,
&end
#
# 4 TRP HN 4 TRP HB+ 4.50 (# 738:20 Unique 2.21, 2.92 A)
&rst
ixpk= 738, nxpk= 20, iat= 46, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 50, 51,
&end
#
# 4 TRP HA 4 TRP HB+ 4.50 (# 739:20 Unique 2.52, 2.80 A)
&rst
ixpk= 739, nxpk= 20, iat= 48, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 50, 51,
&end
#
# 21 ALA HA 4 TRP HB+ 3.50 (# 740:20 Unique 2.00, 3.16 A)
&rst
ixpk= 740, nxpk= 20, iat= 332, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 50, 51,
&end
#
# 4 TRP HN 4 TRP HB- 4.50 (# 741:20 Unique 2.21, 2.92 A)
&rst
ixpk= 741, nxpk= 20, iat= 46, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 50, 51,
&end
#
# 21 ALA HA 4 TRP HB- 3.50 (# 742:20 Unique 2.00, 3.16 A)
&rst
ixpk= 742, nxpk= 20, iat= 332, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 50, 51,
&end
#
# 0 AMB 20-2:743 58 LYS HD- 4.50 (# 743:20 Single Ambig)
&rst
ixpk= 743, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 912, 913, 912, 913,
igr2= 909, 910,
&end
#
# 53 GLN HN 0 AMB 20-1:744 3.50 (# 744:20 Single Ambig)
&rst
ixpk= 744, nxpk= 20, iat= 837, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 817, 818, 817, 818,
&end
#
# 0 AMB 20-2:745 0 AMB 20-1:745 3.50 (# 745:20 Double Ambig)
&rst
ixpk= 745, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 823, 824, 823, 824, 823, 824,
igr2= 817, 818, 817, 818, 817, 818,
&end
#
# 0 AMB 20-2:746 0 AMB 20-1:746 3.50 (# 746:20 Double Ambig)
&rst
ixpk= 746, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 820, 821, 820, 821,
igr2= 817, 818, 817, 818,
&end
#
# 52 ARG HA 0 AMB 20-1:747 3.50 (# 747:20 Single Ambig)
&rst
ixpk= 747, nxpk= 20, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 817, 818, 817, 818,
&end
#
# 9 VAL HA 9 VAL HB 3.50 (# 748:20 Unique 2.57, 2.58 A)
&rst
ixpk= 748, nxpk= 20, iat= 143, 145, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:749 9 VAL HB 2.80 (# 749:20 Single Ambig)
&rst
ixpk= 749, nxpk= 20, iat= -1, 145, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 158, 159, 158, 159,
&end
#
# 9 VAL MGY 9 VAL HB 2.80 (# 750:20 Unique 2.22, 2.63 A)
&rst
ixpk= 750, nxpk= 20, iat= -1, 145, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 9 VAL MGX 9 VAL HB 2.80 (# 751:20 Unique 2.22, 2.63 A)
&rst
ixpk= 751, nxpk= 20, iat= -1, 145, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 0 AMB 20-2:752 0 AMB 20-1:752 2.80 (# 752:20 Double Ambig)
&rst
ixpk= 752, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1= 491, 492, 491, 492, 491, 492, 438, 439, 438, 439,
438, 439,
igr2= 488, 489, 488, 489, 488, 489, 435, 436, 435, 436,
435, 436,
&end
#
# 0 AMB 20-2:753 0 AMB 20-1:753 2.80 (# 753:20 Double Ambig)
&rst
ixpk= 753, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 262, 263, 262, 263,
igr2=1306,1307,1306,1307,
&end
#
# 0 AMB 20-2:754 0 AMB 20-1:754 2.80 (# 754:20 Double Ambig)
&rst
ixpk= 754, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1300,1301,1300,1301, 429, 430, 429, 430, 265, 266,
265, 266,
igr2=1306,1307,1306,1307, 435, 436, 435, 436,1306,1307,
&end
#
# 0 AMB 20-2:755 0 AMB 20-1:755 3.50 (# 755:20 Double Ambig)
&rst
ixpk= 755, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 647, 648, 647, 648,
igr2= 644, 645, 644, 645,
&end
#
# 40 LYS HG- 40 LYS HD+ 3.50 (# 756:20 Unique 2.23, 2.68 A)
&rst
ixpk= 756, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 641, 642,
igr2= 644, 645,
&end
#
# 0 AMB 20-2:757 40 LYS HD- 3.50 (# 757:20 Single Ambig)
&rst
ixpk= 757, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 647, 648, 647, 648,
igr2= 644, 645,
&end
#
# 40 LYS HG- 40 LYS HD- 3.50 (# 758:20 Unique 2.23, 2.68 A)
&rst
ixpk= 758, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 641, 642,
igr2= 644, 645,
&end
#
# 68 HIS HA 68 HIS HB- 4.50 (# 759:20 Unique 2.36, 2.69 A)
&rst
ixpk= 759, nxpk= 20, iat=1061, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1063,1064,
&end
#
# 63 GLU HN 0 AMB 20-1:760 2.80 (# 760:20 Single Ambig)
&rst
ixpk= 760, nxpk= 20, iat= 985, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 989, 990, 989, 990,
&end
#
# 0 AMB 20-2:761 0 AMB 20-1:761 4.50 (# 761:20 Double Ambig)
&rst
ixpk= 761, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 198, 199, 198, 199,1000,
igr2= 245, 246, 245, 246, 989, 990, 989, 990,
&end
#
# 0 AMB 20-2:762 0 AMB 20-1:762 3.50 (# 762:20 Double Ambig)
&rst
ixpk= 762, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 938, 775, 776,
igr2= 989, 990, 989, 990, 841, 842, 841, 842,
&end
#
# 60 ILE HN 0 AMB 20-1:763 4.50 (# 763:20 Single Ambig)
&rst
ixpk= 763, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 925, 926, 925, 926,
&end
#
# 0 AMB 20-2:764 0 AMB 20-1:764 4.50 (# 764:20 Double Ambig)
&rst
ixpk= 764, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
igr1= 262, 263, 946, 947,
igr2= 245, 246, 245, 246, 925, 926, 925, 926,
&end
#
# 0 AMB 20-2:765 0 AMB 20-1:765 2.80 (# 765:20 Double Ambig)
&rst
ixpk= 765, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
igr1=1303,1304,1303,1304,1303,1304, 485, 486,
igr2=1306,1307,1306,1307,1306,1307, 488, 489, 488, 489,
&end
#
# 0 AMB 20-2:766 0 AMB 20-1:766 3.50 (# 766:20 Double Ambig)
&rst
ixpk= 766, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1265,1266,1231,1232,
igr2=1268,1269,1268,1269,
&end
#
# 0 AMB 20-2:767 0 AMB 20-1:767 3.50 (# 767:20 Double Ambig)
&rst
ixpk= 767, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1251,1252,1238,1239,1240,1306,1307,1306,1307,
igr2=1268,1269,1268,1269,1268,1269,1268,1269,
&end
#
# 40 LYS HB+ 40 LYS HD- 3.50 (# 769:20 Unique 2.05, 2.96 A)
&rst
ixpk= 769, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 638, 639,
igr2= 644, 645,
&end
#
# 0 AMB 20-2:770 0 AMB 20-1:770 3.50 (# 770:20 Double Ambig)
&rst
ixpk= 770, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.47, r4= 7.22,
igr1= 849, 850, 849, 850, 921,
igr2= 841, 842, 841, 842, 925, 926, 925, 926,
&end
#
# 0 AMB 20-2:771 0 AMB 20-1:771 2.80 (# 771:20 Double Ambig)
&rst
ixpk= 771, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 923, 839, 987,
igr2= 925, 926, 925, 926, 841, 842, 841, 842, 989, 990,
989, 990,
&end
#
# 59 GLU HN 0 AMB 20-1:772 3.50 (# 772:20 Single Ambig)
&rst
ixpk= 772, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 925, 926, 925, 926,
&end
#
# 19 GLN HN 19 GLN HB+ 3.50 (# 773:20 Unique 2.08, 2.61 A)
&rst
ixpk= 773, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 310, 311,
&end
#
# 0 AMB 20-2:774 0 AMB 20-1:774 4.50 (# 774:20 Double Ambig)
&rst
ixpk= 774, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 891, 308,
igr2= 946, 947, 310, 311,
&end
#
# 0 AMB 20-2:775 19 GLN HB- 2.80 (# 775:20 Single Ambig)
&rst
ixpk= 775, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 313, 314, 313, 314,
igr2= 310, 311,
&end
#
# 19 GLN HN 19 GLN HB- 3.50 (# 776:20 Unique 2.08, 2.61 A)
&rst
ixpk= 776, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 310, 311,
&end
#
# 19 GLN HA 19 GLN HB- 4.50 (# 777:20 Unique 2.38, 2.77 A)
&rst
ixpk= 777, nxpk= 20, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 310, 311,
&end
#
# 82 LYS HE+ 82 LYS HD- 5.50 (# 778:20 Unique 2.22, 2.69 A)
&rst
ixpk= 778, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1271,1272,
igr2=1268,1269,
&end
#
# 0 AMB 20-2:779 82 LYS HD- 3.50 (# 779:20 Single Ambig)
&rst
ixpk= 779, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1265,1266,1231,1232,
igr2=1268,1269,
&end
#
# 45 LYS HE+ 45 LYS HD+ 4.50 (# 780:20 Unique 2.22, 2.69 A)
&rst
ixpk= 780, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 725, 726,
igr2= 722, 723,
&end
#
# 0 AMB 20-2:781 0 AMB 20-1:781 3.50 (# 781:20 Double Ambig)
&rst
ixpk= 781, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 716, 717, 716, 717, 719, 720,
igr2= 722, 723, 722, 723, 722, 723,
&end
#
# 45 LYS HE- 45 LYS HD- 4.50 (# 782:20 Unique 2.22, 2.69 A)
&rst
ixpk= 782, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 725, 726,
igr2= 722, 723,
&end
#
# 45 LYS HG- 45 LYS HD- 2.80 (# 783:20 Unique 2.22, 2.71 A)
&rst
ixpk= 783, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 719, 720,
igr2= 722, 723,
&end
#
# 68 HIS HA 68 HIS HB+ 3.50 (# 784:20 Unique 2.36, 2.69 A)
&rst
ixpk= 784, nxpk= 20, iat=1061, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1063,1064,
&end
#
# 68 HIS HN 68 HIS HB- 5.50 (# 787:20 Unique 2.59, 3.37 A)
&rst
ixpk= 787, nxpk= 20, iat=1059, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1063,1064,
&end
#
# 0 AMB 20-2:788 0 AMB 20-1:788 2.80 (# 788:20 Double Ambig)
&rst
ixpk= 788, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1= 248, 249, 248, 249, 844, 845, 844, 845,
igr2= 245, 246, 245, 246, 841, 842, 841, 842,
&end
#
# 16 GLU HN 0 AMB 20-1:789 5.50 (# 789:20 Single Ambig)
&rst
ixpk= 789, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 245, 246, 245, 246,
&end
#
# 15 GLN HN 0 AMB 20-1:790 3.50 (# 790:20 Single Ambig)
&rst
ixpk= 790, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 245, 246, 245, 246,
&end
#
# 16 GLU HN 0 AMB 20-1:791 4.50 (# 791:20 Single Ambig)
&rst
ixpk= 791, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 245, 246, 245, 246,
&end
#
# 15 GLN HN 0 AMB 20-1:792 3.50 (# 792:20 Single Ambig)
&rst
ixpk= 792, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 245, 246, 245, 246,
&end
#
# 11 GLU HN 0 AMB 20-1:794 3.50 (# 794:20 Single Ambig)
&rst
ixpk= 794, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 175, 176, 175, 176,
&end
#
# 0 AMB 20-2:796 0 AMB 20-1:796 3.50 (# 796:20 Double Ambig)
&rst
ixpk= 796, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 248, 249, 248, 249,
igr2= 175, 176, 175, 176,
&end
#
# 11 GLU HN 0 AMB 20-1:797 3.50 (# 797:20 Single Ambig)
&rst
ixpk= 797, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 175, 176, 175, 176,
&end
#
# 60 ILE HN 60 ILE HG1- 3.50 (# 798:20 Unique 1.93, 2.71 A)
&rst
ixpk= 798, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 946, 947,
&end
#
# 60 ILE HA 60 ILE HG1- 3.50 (# 799:20 Unique 3.67, 3.71 A)
&rst
ixpk= 799, nxpk= 20, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 946, 947,
&end
#
# 60 ILE QD1 60 ILE HG1- 2.80 (# 800:20 Unique 2.21, 2.62 A)
&rst
ixpk= 800, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 949, 950, 951,
igr2= 946, 947,
&end
#
# 60 ILE HN 60 ILE HG1+ 4.50 (# 801:20 Unique 1.93, 2.71 A)
&rst
ixpk= 801, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:802 0 AMB 20-1:802 2.80 (# 802:20 Double Ambig)
&rst
ixpk= 802, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 949, 950, 951, 415, 416, 417, 419, 420, 421,
igr2= 946, 947, 946, 947,
&end
#
# 11 GLU HA 0 AMB 20-1:803 3.50 (# 803:20 Single Ambig)
&rst
ixpk= 803, nxpk= 20, iat= 173, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 175, 176, 175, 176,
&end
#
# 52 ARG HA 56 GLN HB+ 4.50 (# 804:20 Unique 3.41, 4.89 A)
&rst
ixpk= 804, nxpk= 20, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 876, 877,
&end
#
# 0 AMB 20-2:805 0 AMB 20-1:805 3.50 (# 805:20 Double Ambig)
&rst
ixpk= 805, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 872, 884, 885,
igr2= 876, 877, 876, 877,
&end
#
# 56 GLN HA 56 GLN HB+ 4.50 (# 806:20 Unique 2.41, 2.80 A)
&rst
ixpk= 806, nxpk= 20, iat= 874, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 876, 877,
&end
#
# 0 AMB 20-2:807 0 AMB 20-1:807 4.50 (# 807:20 Double Ambig)
&rst
ixpk= 807, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 415, 416, 417, 419, 420, 421, 415, 416, 417, 419,
420, 421,
igr2= 876, 877, 876, 877,
&end
#
# 0 AMB 20-2:808 56 GLN HB- 3.50 (# 808:20 Single Ambig)
&rst
ixpk= 808, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 415, 416, 417, 419, 420, 421, 415, 416, 417, 419,
420, 421,
igr2= 876, 877,
&end
#
# 12 GLN HA 0 AMB 20-1:809 3.50 (# 809:20 Single Ambig)
&rst
ixpk= 809, nxpk= 20, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 245, 246, 245, 246, 190, 191,
&end
#
# 52 ARG HA 56 GLN HB- 4.50 (# 810:20 Unique 3.41, 4.89 A)
&rst
ixpk= 810, nxpk= 20, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 876, 877,
&end
#
# 56 GLN HA 56 GLN HB- 3.50 (# 811:20 Unique 2.41, 2.80 A)
&rst
ixpk= 811, nxpk= 20, iat= 874, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 876, 877,
&end
#
# 0 AMB 20-2:812 0 AMB 20-1:812 3.50 (# 812:20 Double Ambig)
&rst
ixpk= 812, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 872, 186,
igr2= 876, 877, 190, 191,
&end
#
# 14 GLN HN 14 GLN HB+ 3.50 (# 813:20 Unique 2.28, 3.19 A)
&rst
ixpk= 813, nxpk= 20, iat= 224, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 228, 229,
&end
#
# 0 AMB 20-2:814 12 GLN HB- 3.50 (# 814:20 Single Ambig)
&rst
ixpk= 814, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 124, 125, 124, 125,
igr2= 190, 191,
&end
#
# 12 GLN HB- 0 AMB 20-1:815 2.80 (# 815:20 Single Ambig)
&rst
ixpk= 815, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 190, 191,
igr2= 124, 125, 124, 125,
&end
#
# 8 ARG HD+ 12 GLN HB- 4.50 (# 816:20 Unique 1.99, 3.42 A)
&rst
ixpk= 816, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 127, 128,
igr2= 190, 191,
&end
#
# 14 GLN HN 14 GLN HB- 3.50 (# 817:20 Unique 2.28, 3.19 A)
&rst
ixpk= 817, nxpk= 20, iat= 224, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 228, 229,
&end
#
# 14 GLN HA 14 GLN HB- 3.50 (# 818:20 Unique 2.35, 2.56 A)
&rst
ixpk= 818, nxpk= 20, iat= 226, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 228, 229,
&end
#
# 61 LEU HA 61 LEU HG 5.50 (# 819:20 Unique 2.24, 2.68 A)
&rst
ixpk= 819, nxpk= 20, iat= 957, 962, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 LEU HN 61 LEU HG 3.50 (# 820:20 Unique 2.52, 2.83 A)
&rst
ixpk= 820, nxpk= 20, iat= 955, 962, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:821 61 LEU HG 4.50 (# 821:20 Single Ambig)
&rst
ixpk= 821, nxpk= 20, iat= -1, 962, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 959, 960, 549, 550,
&end
#
# 0 AMB 20-2:822 61 LEU HG 2.80 (# 822:20 Single Ambig)
&rst
ixpk= 822, nxpk= 20, iat= -1, 962, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 552, 553, 554, 964, 965, 966, 968, 969, 970, 964,
965, 966, 968, 969, 970,
&end
#
# 25 PRO HD+ 25 PRO HG+ 3.50 (# 823:20 Unique 2.30, 2.58 A)
&rst
ixpk= 823, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 393, 394,
igr2= 396, 397,
&end
#
# 25 PRO HD- 25 PRO HG+ 3.50 (# 824:20 Unique 2.30, 2.58 A)
&rst
ixpk= 824, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 393, 394,
igr2= 396, 397,
&end
#
# 81 PRO HD- 0 AMB 20-1:825 3.50 (# 825:20 Single Ambig)
&rst
ixpk= 825, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1245,1246,
igr2=1248,1249,1248,1249,
&end
#
# 0 AMB 20-2:826 0 AMB 20-1:826 3.50 (# 826:20 Double Ambig)
&rst
ixpk= 826, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1=1251,1252,1238,1239,1240,
igr2=1248,1249,1248,1249,
&end
#
# 0 AMB 20-2:827 0 AMB 20-1:827 4.50 (# 827:20 Double Ambig)
&rst
ixpk= 827, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 143,1254,
igr2= 396, 397,1248,1249,1248,1249,
&end
#
# 32 ARG HN 32 ARG HG+ 4.50 (# 828:20 Unique 3.52, 4.50 A)
&rst
ixpk= 828, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 522, 523,
&end
#
# 0 AMB 20-2:830 0 AMB 20-1:830 2.80 (# 830:20 Double Ambig)
&rst
ixpk= 830, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 158, 159, 158, 159, 158, 159,
igr2= 161, 162, 161, 162, 161, 162,
&end
#
# 25 PRO HB- 25 PRO HG+ 3.50 (# 831:20 Unique 2.32, 2.58 A)
&rst
ixpk= 831, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 399, 400,
igr2= 396, 397,
&end
#
# 0 AMB 20-2:832 0 AMB 20-1:832 3.50 (# 832:20 Double Ambig)
&rst
ixpk= 832, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 158, 159, 158, 159,
igr2= 396, 397, 396, 397,
&end
#
# 25 PRO HD+ 25 PRO HG- 4.50 (# 834:20 Unique 2.30, 2.58 A)
&rst
ixpk= 834, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 393, 394,
igr2= 396, 397,
&end
#
# 25 PRO HB- 25 PRO HG- 3.50 (# 835:20 Unique 2.32, 2.58 A)
&rst
ixpk= 835, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 399, 400,
igr2= 396, 397,
&end
#
# 0 AMB 20-2:836 0 AMB 20-1:836 2.80 (# 836:20 Double Ambig)
&rst
ixpk= 836, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1245,1246,1245,1246,
igr2=1248,1249,1248,1249,
&end
#
# 81 PRO HD- 0 AMB 20-1:837 4.50 (# 837:20 Single Ambig)
&rst
ixpk= 837, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1245,1246,
igr2=1248,1249,1248,1249,
&end
#
# 0 AMB 20-2:838 0 AMB 20-1:838 3.50 (# 838:20 Double Ambig)
&rst
ixpk= 838, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1=1251,1252,1238,1239,1240,
igr2=1248,1249,1248,1249,
&end
#
# 32 ARG HA 32 ARG HG+ 4.50 (# 839:20 Unique 2.06, 2.77 A)
&rst
ixpk= 839, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 522, 523,
&end
#
# 0 AMB 20-2:840 0 AMB 20-1:840 3.50 (# 840:20 Double Ambig)
&rst
ixpk= 840, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 525, 526, 525, 526,
igr2= 522, 523, 522, 523,
&end
#
# 0 AMB 20-2:842 0 AMB 20-1:842 4.50 (# 842:20 Double Ambig)
&rst
ixpk= 842, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 386, 387, 388, 379, 380, 381,
igr2= 522, 523, 522, 523,
&end
#
# 78 ILE HN 78 ILE HG1- 4.50 (# 843:20 Unique 1.94, 2.81 A)
&rst
ixpk= 843, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1208,1209,
&end
#
# 78 ILE HA 78 ILE HG1- 4.50 (# 844:20 Unique 2.37, 2.83 A)
&rst
ixpk= 844, nxpk= 20, iat=1200, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1208,1209,
&end
#
# 78 ILE QD1 78 ILE HG1- 3.50 (# 845:20 Unique 2.20, 2.62 A)
&rst
ixpk= 845, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1211,1212,1213,
igr2=1208,1209,
&end
#
# 32 ARG HA 32 ARG HG- 3.50 (# 846:20 Unique 2.06, 2.77 A)
&rst
ixpk= 846, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 522, 523,
&end
#
# 78 ILE HA 78 ILE HG1+ 4.50 (# 848:20 Unique 2.37, 2.83 A)
&rst
ixpk= 848, nxpk= 20, iat=1200, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1208,1209,
&end
#
# 78 ILE QD1 78 ILE HG1+ 3.50 (# 849:20 Unique 2.20, 2.62 A)
&rst
ixpk= 849, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1211,1212,1213,
igr2=1208,1209,
&end
#
# 28 GLU HG- 0 AMB 20-1:850 3.50 (# 850:20 Single Ambig)
&rst
ixpk= 850, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 454, 455,
igr2= 161, 162, 161, 162,
&end
#
# 78 ILE HB 78 ILE HG1- 3.50 (# 851:20 Unique 2.43, 2.78 A)
&rst
ixpk= 851, nxpk= 20, iat=1202, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1208,1209,
&end
#
# 78 ILE QG2 78 ILE HG1+ 3.50 (# 852:20 Unique 2.06, 3.39 A)
&rst
ixpk= 852, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1204,1205,1206,
igr2=1208,1209,
&end
#
# 38 PRO HA 0 AMB 20-1:853 4.50 (# 853:20 Single Ambig)
&rst
ixpk= 853, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 612, 613, 612, 613,
&end
#
# 0 AMB 20-2:854 0 AMB 20-1:854 3.50 (# 854:20 Double Ambig)
&rst
ixpk= 854, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 823, 824, 823, 824,
igr2= 820, 821, 820, 821,
&end
#
# 0 AMB 20-2:855 0 AMB 20-1:855 2.80 (# 855:20 Double Ambig)
&rst
ixpk= 855, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 817, 818, 817, 818,
igr2= 820, 821, 820, 821,
&end
#
# 0 AMB 20-2:857 52 ARG HG- 3.50 (# 857:20 Single Ambig)
&rst
ixpk= 857, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 823, 824, 823, 824,
igr2= 820, 821,
&end
#
# 0 AMB 20-2:858 52 ARG HG- 2.80 (# 858:20 Single Ambig)
&rst
ixpk= 858, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 817, 818, 817, 818,
igr2= 820, 821,
&end
#
# 0 AMB 20-2:860 0 AMB 20-1:860 2.80 (# 860:20 Double Ambig)
&rst
ixpk= 860, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 615, 616, 615, 616, 626, 627,
igr2= 612, 613, 612, 613,
&end
#
# 24 ILE HG1- 22 ILE HG1- 3.50 (# 862:20 Unique 1.98, 3.43 A)
&rst
ixpk= 862, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 383, 384,
igr2= 350, 351,
&end
#
# 0 AMB 20-2:863 0 AMB 20-1:863 3.50 (# 863:20 Double Ambig)
&rst
ixpk= 863, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 609, 610, 609, 610,
igr2= 612, 613, 612, 613,
&end
#
# 38 PRO HD- 0 AMB 20-1:864 2.80 (# 864:20 Single Ambig)
&rst
ixpk= 864, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 609, 610,
igr2= 612, 613, 612, 613,
&end
#
# 26 LEU HB- 26 LEU HG 3.50 (# 865:20 Unique 2.31, 2.78 A)
&rst
ixpk= 865, nxpk= 20, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 410, 411,
&end
#
# 0 AMB 20-2:866 26 LEU HG 2.80 (# 866:20 Single Ambig)
&rst
ixpk= 866, nxpk= 20, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 415, 416, 417, 419, 420, 421, 415, 416, 417, 419,
420, 421,
&end
#
# 22 ILE HN 22 ILE HG1- 4.50 (# 867:20 Unique 2.13, 4.44 A)
&rst
ixpk= 867, nxpk= 20, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 350, 351,
&end
#
# 22 ILE HB 22 ILE HG1- 3.50 (# 868:20 Unique 2.45, 2.81 A)
&rst
ixpk= 868, nxpk= 20, iat= 344, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 350, 351,
&end
#
# 22 ILE HN 22 ILE HG1+ 4.50 (# 869:20 Unique 2.13, 4.44 A)
&rst
ixpk= 869, nxpk= 20, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 350, 351,
&end
#
# 22 ILE HB 22 ILE HG1+ 3.50 (# 870:20 Unique 2.45, 2.81 A)
&rst
ixpk= 870, nxpk= 20, iat= 344, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 350, 351,
&end
#
# 0 AMB 20-2:871 0 AMB 20-1:871 2.80 (# 871:20 Double Ambig)
&rst
ixpk= 871, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 346, 347, 348, 353, 354, 355,
igr2= 350, 351, 350, 351,
&end
#
# 0 AMB 20-2:873 22 ILE HG1- 4.50 (# 873:20 Single Ambig)
&rst
ixpk= 873, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 80, 81, 80, 81,
igr2= 350, 351,
&end
#
# 0 AMB 20-2:874 0 AMB 20-1:874 3.50 (# 874:20 Double Ambig)
&rst
ixpk= 874, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 80, 81, 80, 81,
igr2= 350, 351, 350, 351,
&end
#
# 0 AMB 20-2:875 0 AMB 20-1:875 3.50 (# 875:20 Double Ambig)
&rst
ixpk= 875, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 74, 344,
igr2= 80, 81, 80, 81,
&end
#
# 22 ILE HG1- 0 AMB 20-1:876 4.50 (# 876:20 Single Ambig)
&rst
ixpk= 876, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 350, 351,
igr2= 80, 81, 80, 81,
&end
#
# 36 ALA MB 0 AMB 20-1:877 3.50 (# 877:20 Single Ambig)
&rst
ixpk= 877, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 586, 587, 588,
igr2= 80, 81, 80, 81,
&end
#
# 5 ILE HN 0 AMB 20-1:879 4.50 (# 879:20 Single Ambig)
&rst
ixpk= 879, nxpk= 20, iat= 70, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 80, 81, 80, 81,
&end
#
# 5 ILE HA 0 AMB 20-1:880 4.50 (# 880:20 Single Ambig)
&rst
ixpk= 880, nxpk= 20, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 80, 81, 80, 81,
&end
#
# 5 ILE QG2 0 AMB 20-1:881 2.80 (# 881:20 Single Ambig)
&rst
ixpk= 881, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 76, 77, 78,
igr2= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:882 22 ILE HG1- 2.80 (# 882:20 Single Ambig)
&rst
ixpk= 882, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 346, 347, 348, 353, 354, 355,
igr2= 350, 351,
&end
#
# 22 ILE QD1 0 AMB 20-1:884 3.50 (# 884:20 Single Ambig)
&rst
ixpk= 884, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 353, 354, 355,
igr2= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:885 0 AMB 20-1:885 3.50 (# 885:20 Double Ambig)
&rst
ixpk= 885, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 596, 344, 543,
igr2= 549, 550, 350, 351,
&end
#
# 0 AMB 20-2:886 33 ILE HG1- 2.80 (# 886:20 Single Ambig)
&rst
ixpk= 886, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
igr2= 549, 550,
&end
#
# 33 ILE QG2 33 ILE HG1- 3.50 (# 887:20 Unique 2.22, 3.11 A)
&rst
ixpk= 887, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 545, 546, 547,
igr2= 549, 550,
&end
#
# 75 LEU HB- 75 LEU HG 2.80 (# 888:20 Unique 2.30, 2.71 A)
&rst
ixpk= 888, nxpk= 20, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1149,1150,
&end
#
# 33 ILE HB 33 ILE HG1+ 3.50 (# 889:20 Unique 2.46, 2.78 A)
&rst
ixpk= 889, nxpk= 20, iat= 543, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 549, 550,
&end
#
# 0 AMB 20-2:890 0 AMB 20-1:890 2.80 (# 890:20 Double Ambig)
&rst
ixpk= 890, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
igr2= 549, 550, 549, 550,
&end
#
# 0 AMB 20-2:891 75 LEU HG 3.50 (# 891:20 Single Ambig)
&rst
ixpk= 891, nxpk= 20, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160,
&end
#
# 75 LEU HB+ 75 LEU HG 3.50 (# 892:20 Unique 2.30, 2.71 A)
&rst
ixpk= 892, nxpk= 20, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1149,1150,
&end
#
# 33 ILE QG2 33 ILE HG1+ 3.50 (# 893:20 Unique 2.22, 3.11 A)
&rst
ixpk= 893, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 545, 546, 547,
igr2= 549, 550,
&end
#
# 0 AMB 20-2:894 75 LEU HG 3.50 (# 894:20 Single Ambig)
&rst
ixpk= 894, nxpk= 20, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 265, 266, 262, 263,
&end
#
# 0 AMB 20-2:895 24 ILE HG1- 3.50 (# 895:20 Single Ambig)
&rst
ixpk= 895, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 350, 351, 377,
igr2= 383, 384,
&end
#
# 0 AMB 20-2:896 24 ILE HG1- 2.80 (# 896:20 Single Ambig)
&rst
ixpk= 896, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 386, 387, 388, 379, 380, 381,
igr2= 383, 384,
&end
#
# 0 AMB 20-2:897 0 AMB 20-1:897 4.50 (# 897:20 Double Ambig)
&rst
ixpk= 897, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 350, 351, 377,
igr2= 383, 384, 383, 384,
&end
#
# 0 AMB 20-2:898 0 AMB 20-1:898 2.80 (# 898:20 Double Ambig)
&rst
ixpk= 898, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 386, 387, 388, 379, 380, 381,
igr2= 383, 384, 383, 384,
&end
#
# 22 ILE QG2 24 ILE HG1- 4.50 (# 899:20 Unique 2.03, 4.09 A)
&rst
ixpk= 899, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 346, 347, 348,
igr2= 383, 384,
&end
#
# 24 ILE HA 24 ILE HG1+ 4.50 (# 900:20 Unique 2.52, 2.83 A)
&rst
ixpk= 900, nxpk= 20, iat= 375, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 383, 384,
&end
#
# 26 LEU HG 26 LEU MDX 2.80 (# 901:20 Unique 2.21, 2.63 A)
&rst
ixpk= 901, nxpk= 20, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 20-2:903 26 LEU MDX 4.50 (# 903:20 Single Ambig)
&rst
ixpk= 903, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 408, 891,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 20-2:904 26 LEU MDX 3.50 (# 904:20 Single Ambig)
&rst
ixpk= 904, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 876, 877, 844, 845, 105,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 20-2:905 26 LEU MDX 4.50 (# 905:20 Single Ambig)
&rst
ixpk= 905, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 466, 817, 818, 817, 818,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 26 LEU HB+ 26 LEU MDX 3.50 (# 906:20 Unique 2.00, 3.25 A)
&rst
ixpk= 906, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 410, 411,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 52 ARG HA 26 LEU MDX 5.50 (# 907:20 Unique 5.63, 7.48 A)
&rst
ixpk= 907, nxpk= 20, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 60 ILE HG1+ 30 LYS HG+ 5.50 (# 908:20 Unique 3.71, 5.78 A)
&rst
ixpk= 908, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 946, 947,
igr2= 485, 486,
&end
#
# 0 AMB 20-2:909 0 AMB 20-1:909 4.50 (# 909:20 Double Ambig)
&rst
ixpk= 909, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 647, 648, 647, 648,
igr2= 641, 642, 641, 642,
&end
#
# 40 LYS HB+ 40 LYS HG+ 4.50 (# 910:20 Unique 2.21, 2.71 A)
&rst
ixpk= 910, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 638, 639,
igr2= 641, 642,
&end
#
# 40 LYS HB+ 40 LYS HG- 4.50 (# 913:20 Unique 2.21, 2.71 A)
&rst
ixpk= 913, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 638, 639,
igr2= 641, 642,
&end
#
# 40 LYS HN 40 LYS HG+ 4.50 (# 914:20 Unique 1.95, 2.69 A)
&rst
ixpk= 914, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 641, 642,
&end
#
# 40 LYS HA 40 LYS HG- 4.50 (# 916:20 Unique 2.56, 3.48 A)
&rst
ixpk= 916, nxpk= 20, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 641, 642,
&end
#
# 45 LYS HA 45 LYS HG+ 4.50 (# 917:20 Unique 2.19, 2.85 A)
&rst
ixpk= 917, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 719, 720,
&end
#
# 45 LYS HE+ 45 LYS HG+ 4.50 (# 918:20 Unique 2.00, 2.96 A)
&rst
ixpk= 918, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 725, 726,
igr2= 719, 720,
&end
#
# 27 LYS HN 0 AMB 20-1:920 4.50 (# 920:20 Single Ambig)
&rst
ixpk= 920, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 432, 433, 432, 433,
&end
#
# 27 LYS HA 0 AMB 20-1:921 5.50 (# 921:20 Single Ambig)
&rst
ixpk= 921, nxpk= 20, iat= 427, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 432, 433, 432, 433,
&end
#
# 0 AMB 20-2:922 0 AMB 20-1:922 3.50 (# 922:20 Double Ambig)
&rst
ixpk= 922, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1309,1310,1309,1310,1309,1310,
igr2=1303,1304,1303,1304,1303,1304,
&end
#
# 43 THR MG2 45 LYS HG- 3.50 (# 924:20 Unique 2.76, 4.34 A)
&rst
ixpk= 924, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 688, 689, 690,
igr2= 719, 720,
&end
#
# 0 AMB 20-2:925 0 AMB 20-1:925 4.50 (# 925:20 Double Ambig)
&rst
ixpk= 925, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 955, 734,
igr2= 964, 965, 966, 968, 969, 970, 719, 720,
&end
#
# 0 AMB 20-2:926 0 AMB 20-1:926 3.50 (# 926:20 Double Ambig)
&rst
ixpk= 926, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 959, 960, 18, 19, 18, 19,
igr2= 964, 965, 966, 968, 969, 970, 719, 720,
&end
#
# 0 AMB 20-2:927 61 LEU MDX 3.50 (# 927:20 Single Ambig)
&rst
ixpk= 927, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 549, 550, 959, 960,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:928 0 AMB 20-1:928 2.80 (# 928:20 Double Ambig)
&rst
ixpk= 928, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.52, r4= 7.27,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088, 722, 723, 740, 741, 742, 744, 745, 746,
igr2= 964, 965, 966, 968, 969, 970, 719, 720,
&end
#
# 0 AMB 20-2:929 0 AMB 20-1:929 4.50 (# 929:20 Double Ambig)
&rst
ixpk= 929, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1296, 273,
igr2=1303,1304,1303,1304,1303,1304,
&end
#
# 84 LYS HA 0 AMB 20-1:930 3.50 (# 930:20 Single Ambig)
&rst
ixpk= 930, nxpk= 20, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1303,1304,1303,1304,
&end
#
# 0 AMB 20-2:931 0 AMB 20-1:931 3.50 (# 931:20 Double Ambig)
&rst
ixpk= 931, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 262, 263, 262, 263,
igr2=1303,1304,1303,1304,
&end
#
# 0 AMB 20-2:932 0 AMB 20-1:932 2.80 (# 932:20 Double Ambig)
&rst
ixpk= 932, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.03, r4= 6.78,
igr1=1300,1301,1300,1301, 429, 430, 429, 430, 265, 266,
igr2=1303,1304,1303,1304, 432, 433, 432, 433,1303,1304,
&end
#
# 0 AMB 20-2:933 0 AMB 20-1:933 2.80 (# 933:20 Double Ambig)
&rst
ixpk= 933, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1=1300,1301,1306,1307,1306,1307,1306,1307,
igr2=1303,1304,1303,1304,1303,1304,1303,1304,
&end
#
# 58 LYS HA 58 LYS HG+ 4.50 (# 934:20 Unique 2.06, 2.69 A)
&rst
ixpk= 934, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 906, 907,
&end
#
# 0 AMB 20-2:935 0 AMB 20-1:935 4.50 (# 935:20 Double Ambig)
&rst
ixpk= 935, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2= 906, 907, 906, 907,
&end
#
# 0 AMB 20-2:936 58 LYS HG- 4.50 (# 936:20 Single Ambig)
&rst
ixpk= 936, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2= 906, 907,
&end
#
# 58 LYS HB+ 58 LYS HG- 4.50 (# 937:20 Unique 2.21, 2.70 A)
&rst
ixpk= 937, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 903, 904,
igr2= 906, 907,
&end
#
# 0 AMB 20-2:938 58 LYS HG- 2.80 (# 938:20 Single Ambig)
&rst
ixpk= 938, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 903, 904, 909, 910,
igr2= 906, 907,
&end
#
# 58 LYS HA 61 LEU MDX 4.50 (# 939:20 Unique 2.00, 4.39 A)
&rst
ixpk= 939, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 61 LEU HG 61 LEU MDX 3.50 (# 940:20 Unique 2.21, 2.63 A)
&rst
ixpk= 940, nxpk= 20, iat= 962, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:941 61 LEU MDY 2.80 (# 941:20 Single Ambig)
&rst
ixpk= 941, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 549, 550, 598, 599, 600, 602, 603, 604,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 58 LYS HB+ 58 LYS HG+ 4.50 (# 943:20 Unique 2.21, 2.70 A)
&rst
ixpk= 943, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 903, 904,
igr2= 906, 907,
&end
#
# 61 LEU HA 61 LEU MDY 3.50 (# 944:20 Unique 2.00, 3.85 A)
&rst
ixpk= 944, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 61 LEU HB+ 61 LEU MDY 3.50 (# 945:20 Unique 1.99, 3.25 A)
&rst
ixpk= 945, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 959, 960,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 61 LEU HG 61 LEU MDY 3.50 (# 946:20 Unique 2.21, 2.63 A)
&rst
ixpk= 946, nxpk= 20, iat= 962, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:947 61 LEU MDY 3.50 (# 947:20 Single Ambig)
&rst
ixpk= 947, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 549, 550, 959, 960,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:948 61 LEU MDY 2.80 (# 948:20 Single Ambig)
&rst
ixpk= 948, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1= 468, 469, 470, 472, 473, 474, 545, 546, 547,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:949 61 LEU MDY 2.80 (# 949:20 Single Ambig)
&rst
ixpk= 949, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1= 740, 741, 742, 744, 745, 746, 468, 469, 470, 472,
473, 474,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 33 ILE HG1- 29 VAL MGY 4.50 (# 950:20 Unique 3.29, 5.97 A)
&rst
ixpk= 950, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 549, 550,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:951 29 VAL MGY 4.50 (# 951:20 Single Ambig)
&rst
ixpk= 951, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 543, 519, 520, 946, 947,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 75 LEU HA 0 AMB 20-1:953 3.50 (# 953:20 Single Ambig)
&rst
ixpk= 953, nxpk= 20, iat=1147, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr2=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160,
&end
#
# 82 LYS HE- 0 AMB 20-1:954 4.50 (# 954:20 Single Ambig)
&rst
ixpk= 954, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1271,1272,
igr2=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160,
&end
#
# 0 AMB 20-2:955 0 AMB 20-1:955 4.50 (# 955:20 Double Ambig)
&rst
ixpk= 955, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1149,1150,1149,1150,
igr2=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160,
&end
#
# 16 GLU HG- 0 AMB 20-1:956 4.50 (# 956:20 Single Ambig)
&rst
ixpk= 956, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 265, 266,
igr2=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160,
&end
#
# 75 LEU HB- 0 AMB 20-1:957 2.80 (# 957:20 Single Ambig)
&rst
ixpk= 957, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1149,1150,
igr2=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160,
&end
#
# 0 AMB 20-2:958 0 AMB 20-1:958 2.80 (# 958:20 Double Ambig)
&rst
ixpk= 958, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1=1152, 722, 723,
igr2=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160, 719, 720,
&end
#
# 57 ALA MB 29 VAL MGY 3.50 (# 960:20 Unique 2.07, 4.93 A)
&rst
ixpk= 960, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 893, 894, 895,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:961 29 VAL MGY 3.50 (# 961:20 Single Ambig)
&rst
ixpk= 961, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 893, 894, 895, 485, 486,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 24 ILE HG1- 29 VAL MGY 4.50 (# 962:20 Unique 5.11, 7.70 A)
&rst
ixpk= 962, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 383, 384,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL HN 29 VAL MGY 3.50 (# 963:20 Unique 1.94, 3.81 A)
&rst
ixpk= 963, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:964 29 VAL MGY 3.50 (# 964:20 Single Ambig)
&rst
ixpk= 964, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 408, 541,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL HA 29 VAL MGY 3.50 (# 965:20 Unique 2.12, 3.43 A)
&rst
ixpk= 965, nxpk= 20, iat= 464, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL HB 29 VAL MGY 3.50 (# 966:20 Unique 2.22, 2.63 A)
&rst
ixpk= 966, nxpk= 20, iat= 466, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 60 ILE HG1+ 29 VAL MGY 3.50 (# 967:20 Unique 3.03, 5.31 A)
&rst
ixpk= 967, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 946, 947,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 24 ILE QG2 29 VAL MGY 3.50 (# 969:20 Unique 2.00, 4.61 A)
&rst
ixpk= 969, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 379, 380, 381,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:970 0 AMB 20-1:970 2.80 (# 970:20 Double Ambig)
&rst
ixpk= 970, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1174,1175,1174,1175,1174,1175,
igr2=1171,1172,1171,1172,1171,1172,
&end
#
# 76 LYS HN 0 AMB 20-1:971 4.50 (# 971:20 Single Ambig)
&rst
ixpk= 971, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1171,1172,1171,1172,
&end
#
# 76 LYS HB- 0 AMB 20-1:972 2.80 (# 972:20 Single Ambig)
&rst
ixpk= 972, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1168,1169,
igr2=1171,1172,1171,1172,
&end
#
# 0 AMB 20-2:973 0 AMB 20-1:973 4.50 (# 973:20 Double Ambig)
&rst
ixpk= 973, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1177,1178,1177,1178,1177,1178,
igr2=1171,1172,1171,1172,1171,1172,
&end
#
# 26 LEU HG 26 LEU MDY 2.80 (# 974:20 Unique 2.21, 2.63 A)
&rst
ixpk= 974, nxpk= 20, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 57 ALA MB 26 LEU MDY 2.80 (# 975:20 Unique 1.99, 4.94 A)
&rst
ixpk= 975, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 893, 894, 895,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 57 ALA HN 26 LEU MDY 4.50 (# 976:20 Unique 2.38, 4.61 A)
&rst
ixpk= 976, nxpk= 20, iat= 889, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 20-2:977 26 LEU MDY 3.50 (# 977:20 Single Ambig)
&rst
ixpk= 977, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 876, 877, 844, 845, 105,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 29 VAL HB 26 LEU MDY 4.50 (# 978:20 Unique 3.43, 6.14 A)
&rst
ixpk= 978, nxpk= 20, iat= 466, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 69 VAL MGY 46 VAL MGY 2.80 (# 981:20 Unique 2.23, 5.54 A)
&rst
ixpk= 981, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1082,1083,1084,1086,1087,1088,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 46 VAL HN 46 VAL MGY 4.50 (# 982:20 Unique 1.95, 3.26 A)
&rst
ixpk= 982, nxpk= 20, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 46 VAL HA 46 VAL MGY 3.50 (# 983:20 Unique 2.17, 3.46 A)
&rst
ixpk= 983, nxpk= 20, iat= 736, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:984 46 VAL MGY 4.50 (# 984:20 Single Ambig)
&rst
ixpk= 984, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 858, 859, 856,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 46 VAL HB 46 VAL MGY 2.80 (# 985:20 Unique 2.22, 2.63 A)
&rst
ixpk= 985, nxpk= 20, iat= 738, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 57 ALA MB 46 VAL MGY 3.50 (# 986:20 Unique 2.07, 6.14 A)
&rst
ixpk= 986, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 893, 894, 895,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 58 LYS HG- 46 VAL MGY 4.50 (# 987:20 Unique 2.68, 6.44 A)
&rst
ixpk= 987, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 906, 907,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 44 VAL MGX 46 VAL MGY 3.50 (# 989:20 Unique 2.00, 6.50 A)
&rst
ixpk= 989, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 702, 703, 704, 706, 707, 708,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 61 LEU MDX 46 VAL MGY 4.50 (# 990:20 Unique 2.62, 6.28 A)
&rst
ixpk= 990, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 964, 965, 966, 968, 969, 970,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:991 18 VAL MGY 3.50 (# 991:20 Single Ambig)
&rst
ixpk= 991, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1265,1266,1231,1232,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 66 TYR HB+ 69 VAL MGY 3.50 (# 992:20 Unique 2.20, 5.55 A)
&rst
ixpk= 992, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1028,1029,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 66 TYR HB- 69 VAL MGY 3.50 (# 993:20 Unique 2.20, 5.55 A)
&rst
ixpk= 993, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1028,1029,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 18 VAL HN 18 VAL MGY 4.50 (# 994:20 Unique 2.04, 3.78 A)
&rst
ixpk= 994, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 78 ILE QD1 18 VAL MGY 3.50 (# 996:20 Unique 2.34, 6.27 A)
&rst
ixpk= 996, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1211,1212,1213,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 18 VAL HA 18 VAL MGY 3.50 (# 998:20 Unique 2.20, 3.12 A)
&rst
ixpk= 998, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:999 18 VAL MGY 3.50 (# 999:20 Single Ambig)
&rst
ixpk= 999, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1262,1263, 294,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 78 ILE QG2 18 VAL MGY 3.50 (# 1000:20 Unique 2.20, 5.48 A)
&rst
ixpk= 1000, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1204,1205,1206,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 69 VAL HN 69 VAL MGY 4.50 (# 1001:20 Unique 1.95, 4.09 A)
&rst
ixpk= 1001, nxpk= 20, iat=1076, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 69 VAL HA 69 VAL MGY 3.50 (# 1002:20 Unique 2.30, 3.13 A)
&rst
ixpk= 1002, nxpk= 20, iat=1078, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:1003 69 VAL MGY 2.80 (# 1003:20 Single Ambig)
&rst
ixpk= 1003, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 700,1080,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:1004 69 VAL MGY 2.80 (# 1004:20 Single Ambig)
&rst
ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 959, 960, 906, 907, 906, 907,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 61 LEU MDX 0 AMB 20-1:1005 3.50 (# 1005:20 Single Ambig)
&rst
ixpk= 1005, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 964, 965, 966, 968, 969, 970,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 39 ASP HN 37 VAL MGY 4.50 (# 1006:20 Unique 2.41, 4.85 A)
&rst
ixpk= 1006, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 0 AMB 20-2:1008 37 VAL MGY 4.50 (# 1008:20 Single Ambig)
&rst
ixpk= 1008, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 549, 550, 586, 587, 588,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 66 TYR HE 37 VAL MGY 3.50 (# 1010:20 Unique 2.00, 5.76 A)
&rst
ixpk= 1010, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1034,1039,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 37 VAL HA 37 VAL MGY 3.50 (# 1011:20 Unique 2.31, 3.15 A)
&rst
ixpk= 1011, nxpk= 20, iat= 594, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 0 AMB 20-2:1012 37 VAL MGY 3.50 (# 1012:20 Single Ambig)
&rst
ixpk= 1012, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 626, 627, 674, 675,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 42 ASP HB- 37 VAL MGY 4.50 (# 1013:20 Unique 2.95, 5.54 A)
&rst
ixpk= 1013, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 674, 675,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 37 VAL HB 37 VAL MGY 2.80 (# 1014:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1014, nxpk= 20, iat= 596, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 0 AMB 20-2:1016 44 VAL MGX 4.50 (# 1016:20 Single Ambig)
&rst
ixpk= 1016, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 712, 696,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 44 VAL HA 44 VAL MGX 3.50 (# 1018:20 Unique 2.35, 3.11 A)
&rst
ixpk= 1018, nxpk= 20, iat= 698, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 44 VAL HB 44 VAL MGX 2.80 (# 1019:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1019, nxpk= 20, iat= 700, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1020 44 VAL MGX 3.50 (# 1020:20 Single Ambig)
&rst
ixpk= 1020, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 80, 81, 80, 81,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1021 44 VAL MGX 2.80 (# 1021:20 Single Ambig)
&rst
ixpk= 1021, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1= 552, 553, 554, 964, 965, 966, 968, 969, 970,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 69 VAL HA 0 AMB 20-1:1022 3.50 (# 1022:20 Single Ambig)
&rst
ixpk= 1022, nxpk= 20, iat=1078, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 0 AMB 20-2:1023 0 AMB 20-1:1023 2.80 (# 1023:20 Double Ambig)
&rst
ixpk= 1023, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.99, r4= 6.74,
igr1= 959, 960, 906, 907, 906, 907, 906, 907,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 0 AMB 20-2:1024 0 AMB 20-1:1024 3.50 (# 1024:20 Double Ambig)
&rst
ixpk= 1024, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.17, r4= 8.92,
igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088, 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1025 67 THR MG2 2.80 (# 1025:20 Single Ambig)
&rst
ixpk= 1025, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1049,1047,
igr2=1051,1052,1053,
&end
#
# 40 LYS HB+ 67 THR MG2 4.50 (# 1026:20 Unique 3.29, 6.10 A)
&rst
ixpk= 1026, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 638, 639,
igr2=1051,1052,1053,
&end
#
# 67 THR HN 67 THR MG2 3.50 (# 1029:20 Unique 1.95, 3.29 A)
&rst
ixpk= 1029, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1051,1052,1053,
&end
#
# 0 AMB 20-2:1031 69 VAL MGX 4.50 (# 1031:20 Single Ambig)
&rst
ixpk= 1031, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1092,1107,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:1032 69 VAL MGX 3.50 (# 1032:20 Single Ambig)
&rst
ixpk= 1032, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 909, 910, 903, 904,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 9 VAL HN 9 VAL MGY 3.50 (# 1033:20 Unique 1.94, 3.05 A)
&rst
ixpk= 1033, nxpk= 20, iat= 141, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 9 VAL HA 9 VAL MGY 3.50 (# 1034:20 Unique 2.10, 3.39 A)
&rst
ixpk= 1034, nxpk= 20, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 0 AMB 20-2:1035 9 VAL MGY 3.50 (# 1035:20 Single Ambig)
&rst
ixpk= 1035, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 158, 159, 158, 159,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 9 VAL HB 9 VAL MGY 2.80 (# 1036:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1036, nxpk= 20, iat= 145, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 58 LYS HA 69 VAL MGX 3.50 (# 1037:20 Unique 2.61, 4.60 A)
&rst
ixpk= 1037, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 35 THR HN 35 THR MG2 4.50 (# 1038:20 Unique 4.08, 4.67 A)
&rst
ixpk= 1038, nxpk= 20, iat= 568, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 574, 575, 576,
&end
#
# 35 THR HB 35 THR MG2 2.80 (# 1039:20 Unique 2.23, 2.64 A)
&rst
ixpk= 1039, nxpk= 20, iat= 572, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 574, 575, 576,
&end
#
# 0 AMB 20-2:1040 44 VAL MGY 3.50 (# 1040:20 Single Ambig)
&rst
ixpk= 1040, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 712, 696,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 44 VAL HA 44 VAL MGY 3.50 (# 1041:20 Unique 2.35, 3.11 A)
&rst
ixpk= 1041, nxpk= 20, iat= 698, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1042 44 VAL MGY 5.50 (# 1042:20 Single Ambig)
&rst
ixpk= 1042, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 674, 675, 33, 34,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1043 44 VAL MGY 4.50 (# 1043:20 Single Ambig)
&rst
ixpk= 1043, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 674, 675, 33, 34,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 37 VAL MGY 44 VAL MGY 2.80 (# 1044:20 Unique 2.00, 4.98 A)
&rst
ixpk= 1044, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 37 VAL MGX 44 VAL MGY 4.50 (# 1045:20 Unique 2.00, 4.98 A)
&rst
ixpk= 1045, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 18 VAL HB 21 ALA MB 3.50 (# 1048:20 Unique 3.40, 4.51 A)
&rst
ixpk= 1048, nxpk= 20, iat= 294, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 334, 335, 336,
&end
#
# 22 ILE HN 21 ALA MB 4.50 (# 1049:20 Unique 1.95, 3.23 A)
&rst
ixpk= 1049, nxpk= 20, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 334, 335, 336,
&end
#
# 21 ALA HN 21 ALA MB 3.50 (# 1050:20 Unique 2.48, 3.24 A)
&rst
ixpk= 1050, nxpk= 20, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 334, 335, 336,
&end
#
# 21 ALA HA 21 ALA MB 3.50 (# 1052:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1052, nxpk= 20, iat= 332, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 334, 335, 336,
&end
#
# 4 TRP HB+ 21 ALA MB 3.50 (# 1054:20 Unique 2.00, 3.14 A)
&rst
ixpk= 1054, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 50, 51,
igr2= 334, 335, 336,
&end
#
# 6 ASP HB- 21 ALA MB 4.50 (# 1055:20 Unique 3.05, 5.49 A)
&rst
ixpk= 1055, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 93, 94,
igr2= 334, 335, 336,
&end
#
# 0 AMB 20-2:1056 21 ALA MB 4.50 (# 1056:20 Single Ambig)
&rst
ixpk= 1056, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
igr2= 334, 335, 336,
&end
#
# 44 VAL HN 43 THR MG2 4.50 (# 1057:20 Unique 2.12, 3.58 A)
&rst
ixpk= 1057, nxpk= 20, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 688, 689, 690,
&end
#
# 43 THR HB 43 THR MG2 3.50 (# 1058:20 Unique 2.23, 2.64 A)
&rst
ixpk= 1058, nxpk= 20, iat= 686, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 688, 689, 690,
&end
#
# 45 LYS HG- 43 THR MG2 4.50 (# 1059:20 Unique 2.76, 4.34 A)
&rst
ixpk= 1059, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 719, 720,
igr2= 688, 689, 690,
&end
#
# 30 LYS HN 29 VAL MGX 4.50 (# 1060:20 Unique 2.04, 3.96 A)
&rst
ixpk= 1060, nxpk= 20, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:1061 29 VAL MGX 3.50 (# 1061:20 Single Ambig)
&rst
ixpk= 1061, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 541, 480,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL HA 29 VAL MGX 3.50 (# 1062:20 Unique 2.12, 3.43 A)
&rst
ixpk= 1062, nxpk= 20, iat= 464, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL HB 29 VAL MGX 3.50 (# 1063:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1063, nxpk= 20, iat= 466, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:1064 29 VAL MGX 3.50 (# 1064:20 Single Ambig)
&rst
ixpk= 1064, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 543, 519, 520, 946, 947,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:1065 29 VAL MGX 3.50 (# 1065:20 Single Ambig)
&rst
ixpk= 1065, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 485, 486, 519, 520, 413, 962,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:1066 29 VAL MGX 4.50 (# 1066:20 Single Ambig)
&rst
ixpk= 1066, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 893, 894, 895, 485, 486,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 45 LYS HE- 43 THR MG2 3.50 (# 1068:20 Unique 2.05, 4.56 A)
&rst
ixpk= 1068, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 725, 726,
igr2= 688, 689, 690,
&end
#
# 0 AMB 20-2:1069 46 VAL MGX 3.50 (# 1069:20 Single Ambig)
&rst
ixpk= 1069, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 858, 859, 856,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 46 VAL HN 46 VAL MGX 3.50 (# 1070:20 Unique 1.95, 3.26 A)
&rst
ixpk= 1070, nxpk= 20, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 71 ASN HA 46 VAL MGX 3.50 (# 1071:20 Unique 1.99, 3.91 A)
&rst
ixpk= 1071, nxpk= 20, iat=1109, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:1072 83 VAL MGY 4.50 (# 1072:20 Single Ambig)
&rst
ixpk= 1072, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 273,1296,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 83 VAL HA 83 VAL MGY 4.50 (# 1073:20 Unique 2.17, 3.45 A)
&rst
ixpk= 1073, nxpk= 20, iat=1282, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 19 GLN HG- 83 VAL MGY 4.50 (# 1074:20 Unique 2.00, 4.40 A)
&rst
ixpk= 1074, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 313, 314,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 83 VAL HB 83 VAL MGY 3.50 (# 1075:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1075, nxpk= 20, iat=1284, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 7 VAL HN 7 VAL MGY 4.50 (# 1076:20 Unique 1.92, 3.43 A)
&rst
ixpk= 1076, nxpk= 20, iat= 101, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1077 7 VAL MGY 3.50 (# 1077:20 Single Ambig)
&rst
ixpk= 1077, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 410, 411, 738,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 7 VAL HA 7 VAL MGY 3.50 (# 1080:20 Unique 2.23, 3.30 A)
&rst
ixpk= 1080, nxpk= 20, iat= 103, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1081 7 VAL MGY 4.50 (# 1081:20 Single Ambig)
&rst
ixpk= 1081, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 856, 858, 859, 408,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1082 7 VAL MGY 3.50 (# 1082:20 Single Ambig)
&rst
ixpk= 1082, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 105, 844, 845,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 57 ALA MB 7 VAL MGY 3.50 (# 1083:20 Unique 1.99, 4.54 A)
&rst
ixpk= 1083, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 893, 894, 895,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1084 36 ALA MB 3.50 (# 1084:20 Single Ambig)
&rst
ixpk= 1084, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 353, 354, 355, 346, 347, 348,
igr2= 586, 587, 588,
&end
#
# 0 AMB 20-2:1085 36 ALA MB 4.50 (# 1085:20 Single Ambig)
&rst
ixpk= 1085, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 522, 523, 519, 520, 543,
igr2= 586, 587, 588,
&end
#
# 37 VAL HN 36 ALA MB 3.50 (# 1086:20 Unique 2.48, 3.48 A)
&rst
ixpk= 1086, nxpk= 20, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 586, 587, 588,
&end
#
# 36 ALA HN 36 ALA MB 3.50 (# 1087:20 Unique 2.11, 3.04 A)
&rst
ixpk= 1087, nxpk= 20, iat= 582, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 586, 587, 588,
&end
#
# 36 ALA HA 36 ALA MB 2.80 (# 1088:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1088, nxpk= 20, iat= 584, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 586, 587, 588,
&end
#
# 33 ILE HA 36 ALA MB 3.50 (# 1089:20 Unique 2.01, 4.11 A)
&rst
ixpk= 1089, nxpk= 20, iat= 541, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 586, 587, 588,
&end
#
# 32 ARG HG- 36 ALA MB 4.50 (# 1090:20 Unique 3.05, 5.44 A)
&rst
ixpk= 1090, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 522, 523,
igr2= 586, 587, 588,
&end
#
# 0 AMB 20-2:1091 36 ALA MB 2.80 (# 1091:20 Single Ambig)
&rst
ixpk= 1091, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1= 386, 387, 388, 83, 84, 85, 379, 380, 381,
igr2= 586, 587, 588,
&end
#
# 37 VAL MGX 36 ALA MB 3.50 (# 1092:20 Unique 2.54, 5.74 A)
&rst
ixpk= 1092, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 586, 587, 588,
&end
#
# 2 GLU HN 1 ALA MB 4.50 (# 1095:20 Unique 2.59, 4.07 A)
&rst
ixpk= 1095, nxpk= 20, iat= 14, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 8, 9, 10,
&end
#
# 1 ALA HA 1 ALA MB 3.50 (# 1097:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1097, nxpk= 20, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 8, 9, 10,
&end
#
# 47 TYR HB- 72 ALA MB 3.50 (# 1098:20 Unique 2.00, 4.20 A)
&rst
ixpk= 1098, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 754, 755,
igr2=1125,1126,1127,
&end
#
# 72 ALA HN 72 ALA MB 3.50 (# 1099:20 Unique 2.06, 2.98 A)
&rst
ixpk= 1099, nxpk= 20, iat=1121, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1125,1126,1127,
&end
#
# 4 TRP HZ3 72 ALA MB 4.50 (# 1100:20 Unique 3.73, 4.79 A)
&rst
ixpk= 1100, nxpk= 20, iat= 63, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1125,1126,1127,
&end
#
# 72 ALA HA 72 ALA MB 3.50 (# 1101:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1101, nxpk= 20, iat=1123, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1125,1126,1127,
&end
#
# 0 AMB 20-2:1102 72 ALA MB 3.50 (# 1102:20 Single Ambig)
&rst
ixpk= 1102, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 716, 717, 716, 717,
igr2=1125,1126,1127,
&end
#
# 0 AMB 20-2:1104 83 VAL MGX 4.50 (# 1104:20 Single Ambig)
&rst
ixpk= 1104, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 273,1296,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 83 VAL HA 83 VAL MGX 4.50 (# 1105:20 Unique 2.17, 3.45 A)
&rst
ixpk= 1105, nxpk= 20, iat=1282, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 0 AMB 20-2:1106 83 VAL MGX 3.50 (# 1106:20 Single Ambig)
&rst
ixpk= 1106, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1280, 283,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 19 GLN HA 83 VAL MGX 3.50 (# 1107:20 Unique 2.25, 4.60 A)
&rst
ixpk= 1107, nxpk= 20, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 19 GLN HN 18 VAL MGX 4.50 (# 1108:20 Unique 2.13, 4.18 A)
&rst
ixpk= 1108, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 18 VAL HA 18 VAL MGX 4.50 (# 1109:20 Unique 2.20, 3.12 A)
&rst
ixpk= 1109, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:1110 18 VAL MGX 3.50 (# 1110:20 Single Ambig)
&rst
ixpk= 1110, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1262,1263, 294,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 37 VAL HN 37 VAL MGX 4.50 (# 1111:20 Unique 2.01, 4.10 A)
&rst
ixpk= 1111, nxpk= 20, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 37 VAL HA 37 VAL MGX 3.50 (# 1112:20 Unique 2.31, 3.15 A)
&rst
ixpk= 1112, nxpk= 20, iat= 594, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 0 AMB 20-2:1113 37 VAL MGX 3.50 (# 1113:20 Single Ambig)
&rst
ixpk= 1113, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 549, 550, 586, 587, 588,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 42 ASP HB- 37 VAL MGX 5.50 (# 1115:20 Unique 2.95, 5.54 A)
&rst
ixpk= 1115, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 674, 675,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 37 VAL HB 37 VAL MGX 3.50 (# 1116:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1116, nxpk= 20, iat= 596, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 5 ILE QD1 37 VAL MGX 2.80 (# 1117:20 Unique 2.35, 5.35 A)
&rst
ixpk= 1117, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 83, 84, 85,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 0 AMB 20-2:1118 18 VAL MGX 4.50 (# 1118:20 Single Ambig)
&rst
ixpk= 1118, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1265,1266,1231,1232,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:1119 83 VAL MGX 3.50 (# 1119:20 Single Ambig)
&rst
ixpk= 1119, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 313, 314, 313, 314,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 33 ILE HN 33 ILE QG2 3.50 (# 1120:20 Unique 1.97, 3.09 A)
&rst
ixpk= 1120, nxpk= 20, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 545, 546, 547,
&end
#
# 66 TYR HE 33 ILE QG2 4.50 (# 1121:20 Unique 2.10, 5.37 A)
&rst
ixpk= 1121, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1034,1039,
igr2= 545, 546, 547,
&end
#
# 33 ILE HG1- 33 ILE QG2 2.80 (# 1122:20 Unique 2.22, 3.11 A)
&rst
ixpk= 1122, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 549, 550,
igr2= 545, 546, 547,
&end
#
# 60 ILE QD1 33 ILE QG2 4.50 (# 1123:20 Unique 4.39, 6.77 A)
&rst
ixpk= 1123, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 949, 950, 951,
igr2= 545, 546, 547,
&end
#
# 24 ILE HG1- 24 ILE QG2 3.50 (# 1124:20 Unique 2.43, 3.48 A)
&rst
ixpk= 1124, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 383, 384,
igr2= 379, 380, 381,
&end
#
# 24 ILE HG1+ 24 ILE QG2 3.50 (# 1125:20 Unique 2.43, 3.48 A)
&rst
ixpk= 1125, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 383, 384,
igr2= 379, 380, 381,
&end
#
# 34 ALA HN 33 ILE QG2 3.50 (# 1127:20 Unique 2.00, 3.12 A)
&rst
ixpk= 1127, nxpk= 20, iat= 558, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 545, 546, 547,
&end
#
# 30 LYS HA 33 ILE QG2 4.50 (# 1128:20 Unique 2.02, 3.44 A)
&rst
ixpk= 1128, nxpk= 20, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 545, 546, 547,
&end
#
# 64 MET ME 33 ILE QG2 3.50 (# 1129:20 Unique 1.98, 3.30 A)
&rst
ixpk= 1129, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1011,1012,1013,
igr2= 545, 546, 547,
&end
#
# 33 ILE HB 33 ILE QG2 2.80 (# 1130:20 Unique 2.24, 2.63 A)
&rst
ixpk= 1130, nxpk= 20, iat= 543, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 545, 546, 547,
&end
#
# 60 ILE HG1+ 33 ILE QG2 4.50 (# 1131:20 Unique 4.89, 6.79 A)
&rst
ixpk= 1131, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 946, 947,
igr2= 545, 546, 547,
&end
#
# 33 ILE HG1+ 33 ILE QG2 3.50 (# 1132:20 Unique 2.22, 3.11 A)
&rst
ixpk= 1132, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 549, 550,
igr2= 545, 546, 547,
&end
#
# 0 AMB 20-2:1133 33 ILE QG2 3.50 (# 1133:20 Single Ambig)
&rst
ixpk= 1133, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.60, r4= 7.35,
igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
969, 970, 552, 553, 554,
igr2= 545, 546, 547,
&end
#
# 24 ILE HA 24 ILE QG2 3.50 (# 1134:20 Unique 2.25, 3.09 A)
&rst
ixpk= 1134, nxpk= 20, iat= 375, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 379, 380, 381,
&end
#
# 29 VAL HA 24 ILE QG2 2.80 (# 1135:20 Unique 2.02, 2.65 A)
&rst
ixpk= 1135, nxpk= 20, iat= 464, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 379, 380, 381,
&end
#
# 0 AMB 20-2:1136 24 ILE QG2 4.50 (# 1136:20 Single Ambig)
&rst
ixpk= 1136, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 525, 526, 525, 526,
igr2= 379, 380, 381,
&end
#
# 0 AMB 20-2:1137 24 ILE QG2 3.50 (# 1137:20 Single Ambig)
&rst
ixpk= 1137, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 519, 520, 522, 523,
igr2= 379, 380, 381,
&end
#
# 24 ILE HB 24 ILE QG2 2.80 (# 1138:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1138, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 379, 380, 381,
&end
#
# 29 VAL MGY 24 ILE QG2 2.80 (# 1139:20 Unique 2.00, 4.61 A)
&rst
ixpk= 1139, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 468, 469, 470, 472, 473, 474,
igr2= 379, 380, 381,
&end
#
# 0 AMB 20-2:1140 9 VAL MGX 4.50 (# 1140:20 Single Ambig)
&rst
ixpk= 1140, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 158, 159, 158, 159,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 57 ALA HN 57 ALA MB 3.50 (# 1141:20 Unique 2.19, 2.96 A)
&rst
ixpk= 1141, nxpk= 20, iat= 889, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 893, 894, 895,
&end
#
# 58 LYS HN 57 ALA MB 4.50 (# 1142:20 Unique 2.39, 3.73 A)
&rst
ixpk= 1142, nxpk= 20, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 893, 894, 895,
&end
#
# 0 AMB 20-2:1143 57 ALA MB 2.80 (# 1143:20 Single Ambig)
&rst
ixpk= 1143, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 891, 856, 408,
igr2= 893, 894, 895,
&end
#
# 26 LEU HB+ 57 ALA MB 3.50 (# 1144:20 Unique 1.99, 4.52 A)
&rst
ixpk= 1144, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 410, 411,
igr2= 893, 894, 895,
&end
#
# 0 AMB 20-2:1145 57 ALA MB 3.50 (# 1145:20 Single Ambig)
&rst
ixpk= 1145, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 413, 962,
igr2= 893, 894, 895,
&end
#
# 0 AMB 20-2:1146 57 ALA MB 5.50 (# 1146:20 Single Ambig)
&rst
ixpk= 1146, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 959, 960, 906, 907, 906, 907,
igr2= 893, 894, 895,
&end
#
# 0 AMB 20-2:1147 57 ALA MB 2.80 (# 1147:20 Single Ambig)
&rst
ixpk= 1147, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1= 740, 741, 742, 744, 745, 746, 949, 950, 951,
igr2= 893, 894, 895,
&end
#
# 61 LEU MDX 57 ALA MB 4.50 (# 1148:20 Unique 2.01, 5.23 A)
&rst
ixpk= 1148, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 964, 965, 966, 968, 969, 970,
igr2= 893, 894, 895,
&end
#
# 11 GLU HN 9 VAL MGX 4.50 (# 1149:20 Unique 2.81, 4.20 A)
&rst
ixpk= 1149, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 9 VAL HN 9 VAL MGX 3.50 (# 1150:20 Unique 1.94, 3.05 A)
&rst
ixpk= 1150, nxpk= 20, iat= 141, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 12 GLN HN 9 VAL MGX 3.50 (# 1151:20 Unique 1.94, 4.22 A)
&rst
ixpk= 1151, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 9 VAL HA 9 VAL MGX 4.50 (# 1152:20 Unique 2.10, 3.39 A)
&rst
ixpk= 1152, nxpk= 20, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 9 VAL HB 9 VAL MGX 2.80 (# 1153:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1153, nxpk= 20, iat= 145, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 12 GLN HG- 9 VAL MGX 3.50 (# 1154:20 Unique 2.05, 4.67 A)
&rst
ixpk= 1154, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 193, 194,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 12 GLN HB+ 9 VAL MGX 3.50 (# 1155:20 Unique 1.96, 4.90 A)
&rst
ixpk= 1155, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 190, 191,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 0 AMB 20-2:1156 9 VAL MGX 3.50 (# 1156:20 Single Ambig)
&rst
ixpk= 1156, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 190, 191, 175, 176,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 25 PRO HB- 9 VAL MGX 5.50 (# 1157:20 Unique 3.64, 5.80 A)
&rst
ixpk= 1157, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 399, 400,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 34 ALA HN 34 ALA MB 3.50 (# 1159:20 Unique 2.16, 2.94 A)
&rst
ixpk= 1159, nxpk= 20, iat= 558, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 562, 563, 564,
&end
#
# 35 THR HN 34 ALA MB 4.50 (# 1160:20 Unique 2.52, 3.86 A)
&rst
ixpk= 1160, nxpk= 20, iat= 568, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 562, 563, 564,
&end
#
# 34 ALA HA 34 ALA MB 2.80 (# 1161:20 Unique 2.24, 2.63 A)
&rst
ixpk= 1161, nxpk= 20, iat= 560, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 562, 563, 564,
&end
#
# 26 LEU HB+ 57 ALA MB 3.50 (# 1162:20 Unique 1.99, 4.52 A)
&rst
ixpk= 1162, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 410, 411,
igr2= 893, 894, 895,
&end
#
# 46 VAL HB 57 ALA MB 5.50 (# 1163:20 Unique 3.71, 5.68 A)
&rst
ixpk= 1163, nxpk= 20, iat= 738, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 893, 894, 895,
&end
#
# 0 AMB 20-2:1164 57 ALA MB 3.50 (# 1164:20 Single Ambig)
&rst
ixpk= 1164, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 413, 962,
igr2= 893, 894, 895,
&end
#
# 7 VAL HN 7 VAL MGX 3.50 (# 1165:20 Unique 1.92, 3.43 A)
&rst
ixpk= 1165, nxpk= 20, iat= 101, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1166 7 VAL MGX 4.50 (# 1166:20 Single Ambig)
&rst
ixpk= 1166, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 466, 121, 122,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 46 VAL HB 7 VAL MGX 4.50 (# 1167:20 Unique 2.00, 3.52 A)
&rst
ixpk= 1167, nxpk= 20, iat= 738, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 57 ALA MB 7 VAL MGX 3.50 (# 1168:20 Unique 1.99, 4.54 A)
&rst
ixpk= 1168, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 893, 894, 895,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1170 78 ILE QG2 3.50 (# 1170:20 Single Ambig)
&rst
ixpk= 1170, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1227, 61,
igr2=1204,1205,1206,
&end
#
# 78 ILE HA 78 ILE QG2 4.50 (# 1171:20 Unique 2.33, 3.10 A)
&rst
ixpk= 1171, nxpk= 20, iat=1200, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1204,1205,1206,
&end
#
# 80 MET HG+ 78 ILE QG2 3.50 (# 1172:20 Unique 2.01, 4.68 A)
&rst
ixpk= 1172, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1234,1235,
igr2=1204,1205,1206,
&end
#
# 78 ILE HG1- 78 ILE QG2 3.50 (# 1173:20 Unique 2.06, 3.39 A)
&rst
ixpk= 1173, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1208,1209,
igr2=1204,1205,1206,
&end
#
# 80 MET HB+ 78 ILE QG2 3.50 (# 1174:20 Unique 2.03, 3.86 A)
&rst
ixpk= 1174, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1231,1232,
igr2=1204,1205,1206,
&end
#
# 0 AMB 20-2:1175 78 ILE QG2 2.80 (# 1175:20 Single Ambig)
&rst
ixpk= 1175, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1=1234,1235,1268,1269,1202,
igr2=1204,1205,1206,
&end
#
# 0 AMB 20-2:1176 78 ILE QG2 3.50 (# 1176:20 Single Ambig)
&rst
ixpk= 1176, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1231,1232,1208,1209,
igr2=1204,1205,1206,
&end
#
# 18 VAL MGY 78 ILE QG2 3.50 (# 1177:20 Unique 2.20, 5.48 A)
&rst
ixpk= 1177, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 296, 297, 298, 300, 301, 302,
igr2=1204,1205,1206,
&end
#
# 0 AMB 20-2:1178 7 VAL MGX 3.50 (# 1178:20 Single Ambig)
&rst
ixpk= 1178, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 856, 858, 859, 408,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 54 SER HB- 7 VAL MGX 5.50 (# 1179:20 Unique 2.00, 5.10 A)
&rst
ixpk= 1179, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 858, 859,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1180 7 VAL MGX 3.50 (# 1180:20 Single Ambig)
&rst
ixpk= 1180, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 105, 844, 845,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1181 7 VAL MGX 4.50 (# 1181:20 Single Ambig)
&rst
ixpk= 1181, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 876, 877, 399, 400,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 23 ASN HN 22 ILE QG2 4.50 (# 1182:20 Unique 3.51, 4.43 A)
&rst
ixpk= 1182, nxpk= 20, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 346, 347, 348,
&end
#
# 0 AMB 20-2:1183 22 ILE QG2 3.50 (# 1183:20 Single Ambig)
&rst
ixpk= 1183, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 350, 351, 377,
igr2= 346, 347, 348,
&end
#
# 24 ILE HG1- 22 ILE QG2 4.50 (# 1184:20 Unique 2.03, 4.09 A)
&rst
ixpk= 1184, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 383, 384,
igr2= 346, 347, 348,
&end
#
# 0 AMB 20-2:1185 22 ILE QG2 4.50 (# 1185:20 Single Ambig)
&rst
ixpk= 1185, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 386, 387, 388, 76, 77, 78,
igr2= 346, 347, 348,
&end
#
# 22 ILE HA 22 ILE QG2 3.50 (# 1186:20 Unique 2.40, 3.84 A)
&rst
ixpk= 1186, nxpk= 20, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 346, 347, 348,
&end
#
# 22 ILE HB 22 ILE QG2 2.80 (# 1187:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1187, nxpk= 20, iat= 344, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 346, 347, 348,
&end
#
# 0 AMB 20-2:1188 22 ILE QG2 2.80 (# 1188:20 Single Ambig)
&rst
ixpk= 1188, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 350, 351, 586, 587, 588,
igr2= 346, 347, 348,
&end
#
# 3 HIS HB+ 22 ILE QG2 5.50 (# 1191:20 Unique 3.06, 5.55 A)
&rst
ixpk= 1191, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 33, 34,
igr2= 346, 347, 348,
&end
#
# 0 AMB 20-2:1194 22 ILE QG2 5.50 (# 1194:20 Single Ambig)
&rst
ixpk= 1194, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 522, 523, 519, 520,
igr2= 346, 347, 348,
&end
#
# 0 AMB 20-2:1196 22 ILE QG2 3.50 (# 1196:20 Single Ambig)
&rst
ixpk= 1196, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 80, 81, 80, 81,
igr2= 346, 347, 348,
&end
#
# 66 TYR HE 64 MET ME 4.50 (# 1198:20 Unique 3.65, 6.74 A)
&rst
ixpk= 1198, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1034,1039,
igr2=1011,1012,1013,
&end
#
# 30 LYS HA 64 MET ME 3.50 (# 1199:20 Unique 1.99, 3.14 A)
&rst
ixpk= 1199, nxpk= 20, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1011,1012,1013,
&end
#
# 64 MET HG+ 64 MET ME 3.50 (# 1200:20 Unique 2.02, 3.47 A)
&rst
ixpk= 1200, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1007,1008,
igr2=1011,1012,1013,
&end
#
# 0 AMB 20-2:1201 64 MET ME 2.80 (# 1201:20 Single Ambig)
&rst
ixpk= 1201, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1004,1005,1007,1008,
igr2=1011,1012,1013,
&end
#
# 64 MET HB- 64 MET ME 3.50 (# 1202:20 Unique 2.00, 4.17 A)
&rst
ixpk= 1202, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1004,1005,
igr2=1011,1012,1013,
&end
#
# 0 AMB 20-2:1203 64 MET ME 4.50 (# 1203:20 Single Ambig)
&rst
ixpk= 1203, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 946, 947, 940, 482, 483, 543,
igr2=1011,1012,1013,
&end
#
# 0 AMB 20-2:1204 64 MET ME 4.50 (# 1204:20 Single Ambig)
&rst
ixpk= 1204, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 485, 486, 962,
igr2=1011,1012,1013,
&end
#
# 0 AMB 20-2:1205 64 MET ME 4.50 (# 1205:20 Single Ambig)
&rst
ixpk= 1205, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 485, 486, 562, 563, 564,
igr2=1011,1012,1013,
&end
#
# 33 ILE QG2 64 MET ME 2.80 (# 1206:20 Unique 1.98, 3.30 A)
&rst
ixpk= 1206, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 545, 546, 547,
igr2=1011,1012,1013,
&end
#
# 0 AMB 20-2:1207 64 MET ME 4.50 (# 1207:20 Single Ambig)
&rst
ixpk= 1207, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
969, 970,
igr2=1011,1012,1013,
&end
#
# 22 ILE HB 22 ILE QG2 2.80 (# 1208:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1208, nxpk= 20, iat= 344, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 346, 347, 348,
&end
#
# 79 ALA HN 79 ALA MB 4.50 (# 1209:20 Unique 2.09, 3.05 A)
&rst
ixpk= 1209, nxpk= 20, iat=1217, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1221,1222,1223,
&end
#
# 79 ALA HA 79 ALA MB 3.50 (# 1210:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1210, nxpk= 20, iat=1219, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1221,1222,1223,
&end
#
# 6 ASP HN 5 ILE QG2 4.50 (# 1211:20 Unique 3.27, 4.43 A)
&rst
ixpk= 1211, nxpk= 20, iat= 89, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 76, 77, 78,
&end
#
# 0 AMB 20-2:1212 5 ILE QG2 4.50 (# 1212:20 Single Ambig)
&rst
ixpk= 1212, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 373, 101,
igr2= 76, 77, 78,
&end
#
# 5 ILE HA 5 ILE QG2 3.50 (# 1213:20 Unique 2.37, 3.12 A)
&rst
ixpk= 1213, nxpk= 20, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 76, 77, 78,
&end
#
# 0 AMB 20-2:1214 0 AMB 20-1:1214 3.50 (# 1214:20 Double Ambig)
&rst
ixpk= 1214, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 74, 940, 946, 947,
igr2= 76, 77, 78, 942, 943, 944,
&end
#
# 24 ILE HB 5 ILE QG2 5.50 (# 1215:20 Unique 2.00, 2.87 A)
&rst
ixpk= 1215, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 76, 77, 78,
&end
#
# 36 ALA MB 5 ILE QG2 5.50 (# 1216:20 Unique 2.66, 6.09 A)
&rst
ixpk= 1216, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 586, 587, 588,
igr2= 76, 77, 78,
&end
#
# 0 AMB 20-2:1217 0 AMB 20-1:1217 3.50 (# 1217:20 Double Ambig)
&rst
ixpk= 1217, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 80, 81, 80, 81, 946, 947,
igr2= 76, 77, 78, 942, 943, 944,
&end
#
# 0 AMB 20-2:1218 5 ILE QG2 2.80 (# 1218:20 Single Ambig)
&rst
ixpk= 1218, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1= 107, 108, 109, 111, 112, 113, 740, 741, 742, 744,
745, 746, 383, 384,
igr2= 76, 77, 78,
&end
#
# 4 TRP HE1 80 MET ME 4.50 (# 1219:20 Unique 2.04, 3.87 A)
&rst
ixpk= 1219, nxpk= 20, iat= 56, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1238,1239,1240,
&end
#
# 81 PRO HD- 80 MET ME 4.50 (# 1220:20 Unique 2.01, 5.04 A)
&rst
ixpk= 1220, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1245,1246,
igr2=1238,1239,1240,
&end
#
# 80 MET HB- 80 MET ME 4.50 (# 1221:20 Unique 2.00, 3.37 A)
&rst
ixpk= 1221, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1231,1232,
igr2=1238,1239,1240,
&end
#
# 18 VAL MGX 80 MET ME 3.50 (# 1222:20 Unique 2.00, 4.78 A)
&rst
ixpk= 1222, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 296, 297, 298, 300, 301, 302,
igr2=1238,1239,1240,
&end
#
# 33 ILE HB 33 ILE QD1 3.50 (# 1223:20 Unique 2.30, 3.06 A)
&rst
ixpk= 1223, nxpk= 20, iat= 543, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 552, 553, 554,
&end
#
# 33 ILE HA 33 ILE QD1 3.50 (# 1224:20 Unique 1.98, 2.98 A)
&rst
ixpk= 1224, nxpk= 20, iat= 541, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 552, 553, 554,
&end
#
# 0 AMB 20-2:1225 33 ILE QD1 2.80 (# 1225:20 Single Ambig)
&rst
ixpk= 1225, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 549, 550, 586, 587, 588,
igr2= 552, 553, 554,
&end
#
# 0 AMB 20-2:1226 33 ILE QD1 4.50 (# 1226:20 Single Ambig)
&rst
ixpk= 1226, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 946, 947, 80, 81, 80, 81,
igr2= 552, 553, 554,
&end
#
# 29 VAL MGY 33 ILE QD1 3.50 (# 1227:20 Unique 1.98, 5.47 A)
&rst
ixpk= 1227, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 468, 469, 470, 472, 473, 474,
igr2= 552, 553, 554,
&end
#
# 0 AMB 20-2:1228 33 ILE QD1 2.80 (# 1228:20 Single Ambig)
&rst
ixpk= 1228, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 598, 599, 600, 602, 603, 604, 549, 550,
igr2= 552, 553, 554,
&end
#
# 37 VAL MGX 33 ILE QD1 3.50 (# 1229:20 Unique 2.00, 4.56 A)
&rst
ixpk= 1229, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 552, 553, 554,
&end
#
# 47 TYR HB- 78 ILE QD1 4.50 (# 1230:20 Unique 2.19, 4.06 A)
&rst
ixpk= 1230, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 754, 755,
igr2=1211,1212,1213,
&end
#
# 78 ILE HG1- 78 ILE QD1 3.50 (# 1231:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1231, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1208,1209,
igr2=1211,1212,1213,
&end
#
# 0 AMB 20-2:1232 78 ILE QD1 3.50 (# 1232:20 Single Ambig)
&rst
ixpk= 1232, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1202,1268,1269,
igr2=1211,1212,1213,
&end
#
# 78 ILE HG1+ 78 ILE QD1 3.50 (# 1233:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1233, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1208,1209,
igr2=1211,1212,1213,
&end
#
# 0 AMB 20-2:1234 78 ILE QD1 4.50 (# 1234:20 Single Ambig)
&rst
ixpk= 1234, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160,
igr2=1211,1212,1213,
&end
#
# 18 VAL MGY 78 ILE QD1 4.50 (# 1235:20 Unique 2.34, 6.27 A)
&rst
ixpk= 1235, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 296, 297, 298, 300, 301, 302,
igr2=1211,1212,1213,
&end
#
# 75 LEU HA 78 ILE QD1 3.50 (# 1236:20 Unique 2.37, 4.11 A)
&rst
ixpk= 1236, nxpk= 20, iat=1147, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1211,1212,1213,
&end
#
# 47 TYR HB+ 78 ILE QD1 4.50 (# 1237:20 Unique 2.19, 4.06 A)
&rst
ixpk= 1237, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 754, 755,
igr2=1211,1212,1213,
&end
#
# 0 AMB 20-2:1238 60 ILE QD1 4.50 (# 1238:20 Single Ambig)
&rst
ixpk= 1238, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 485, 486, 413,
igr2= 949, 950, 951,
&end
#
# 57 ALA HA 60 ILE QD1 3.50 (# 1239:20 Unique 2.09, 3.07 A)
&rst
ixpk= 1239, nxpk= 20, iat= 891, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 949, 950, 951,
&end
#
# 56 GLN HB- 60 ILE QD1 4.50 (# 1240:20 Unique 4.98, 6.55 A)
&rst
ixpk= 1240, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 876, 877,
igr2= 949, 950, 951,
&end
#
# 0 AMB 20-2:1241 60 ILE QD1 2.80 (# 1241:20 Single Ambig)
&rst
ixpk= 1241, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.65, r4= 5.40,
igr1= 946, 947, 940, 482, 483, 410, 411,
igr2= 949, 950, 951,
&end
#
# 0 AMB 20-2:1242 60 ILE QD1 4.50 (# 1242:20 Single Ambig)
&rst
ixpk= 1242, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 485, 486, 893, 894, 895,
igr2= 949, 950, 951,
&end
#
# 60 ILE HG1+ 60 ILE QD1 2.80 (# 1243:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1243, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 946, 947,
igr2= 949, 950, 951,
&end
#
# 0 AMB 20-2:1244 0 AMB 20-1:1244 3.50 (# 1244:20 Double Ambig)
&rst
ixpk= 1244, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 946, 947, 344, 940, 482, 483, 410, 411,
igr2= 949, 950, 951, 353, 354, 355,
&end
#
# 33 ILE HA 24 ILE QD1 4.50 (# 1245:20 Unique 3.56, 4.97 A)
&rst
ixpk= 1245, nxpk= 20, iat= 541, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 386, 387, 388,
&end
#
# 0 AMB 20-2:1246 24 ILE QD1 3.50 (# 1246:20 Single Ambig)
&rst
ixpk= 1246, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 522, 523, 519, 520, 344,
igr2= 386, 387, 388,
&end
#
# 0 AMB 20-2:1247 24 ILE QD1 3.50 (# 1247:20 Single Ambig)
&rst
ixpk= 1247, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 350, 351, 377,
igr2= 386, 387, 388,
&end
#
# 36 ALA MB 24 ILE QD1 2.80 (# 1248:20 Unique 2.09, 3.38 A)
&rst
ixpk= 1248, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 586, 587, 588,
igr2= 386, 387, 388,
&end
#
# 24 ILE HG1- 24 ILE QD1 2.80 (# 1249:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 383, 384,
igr2= 386, 387, 388,
&end
#
# 24 ILE HG1+ 24 ILE QD1 2.80 (# 1250:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1250, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 383, 384,
igr2= 386, 387, 388,
&end
#
# 0 AMB 20-2:1252 22 ILE QD1 3.50 (# 1252:20 Single Ambig)
&rst
ixpk= 1252, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 386, 387, 388, 83, 84, 85,
igr2= 353, 354, 355,
&end
#
# 22 ILE HG1- 22 ILE QD1 3.50 (# 1253:20 Unique 2.22, 2.62 A)
&rst
ixpk= 1253, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 350, 351,
igr2= 353, 354, 355,
&end
#
# 0 AMB 20-2:1254 22 ILE QD1 2.80 (# 1254:20 Single Ambig)
&rst
ixpk= 1254, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 586, 587, 588, 350, 351,
igr2= 353, 354, 355,
&end
#
# 0 AMB 20-2:1255 22 ILE QD1 3.50 (# 1255:20 Single Ambig)
&rst
ixpk= 1255, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 80, 81, 80, 81,
igr2= 353, 354, 355,
&end
#
# 0 AMB 20-2:1256 5 ILE QD1 5.50 (# 1256:20 Single Ambig)
&rst
ixpk= 1256, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 350, 351, 377,
igr2= 83, 84, 85,
&end
#
# 36 ALA MB 5 ILE QD1 4.50 (# 1257:20 Unique 2.51, 6.16 A)
&rst
ixpk= 1257, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 586, 587, 588,
igr2= 83, 84, 85,
&end
#
# 0 AMB 20-2:1258 5 ILE QD1 3.50 (# 1258:20 Single Ambig)
&rst
ixpk= 1258, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 80, 81, 80, 81,
igr2= 83, 84, 85,
&end
#
# 0 AMB 20-2:1259 5 ILE QD1 3.50 (# 1259:20 Single Ambig)
&rst
ixpk= 1259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
igr1= 702, 703, 704, 706, 707, 708, 353, 354, 355,
igr2= 83, 84, 85,
&end
#
# 44 VAL MGY 5 ILE QD1 3.50 (# 1260:20 Unique 2.00, 3.94 A)
&rst
ixpk= 1260, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 702, 703, 704, 706, 707, 708,
igr2= 83, 84, 85,
&end
#
# 37 VAL MGX 5 ILE QD1 3.50 (# 1261:20 Unique 2.35, 5.35 A)
&rst
ixpk= 1261, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 83, 84, 85,
&end
#
# 0 AMB 20-2:1262 5 ILE QD1 4.50 (# 1262:20 Single Ambig)
&rst
ixpk= 1262, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 72, 714,
igr2= 83, 84, 85,
&end
#
# 5 ILE HB 5 ILE QD1 3.50 (# 1263:20 Unique 2.04, 2.89 A)
&rst
ixpk= 1263, nxpk= 20, iat= 74, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 83, 84, 85,
&end
#
# 67 THR HN 67 THR HB 5.50 (# 1264:20 Unique 2.84, 3.49 A)
&rst
ixpk= 1264, nxpk= 20, iat=1045,1049, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 ARG HA 35 THR HB 5.50 (# 1267:20 Unique 2.72, 3.72 A)
&rst
ixpk= 1267, nxpk= 20, iat= 517, 572, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1268 29 VAL HA 5.50 (# 1268:20 Single Ambig)
&rst
ixpk= 1268, nxpk= 20, iat= -1, 464, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 541, 480,
&end
#
# 32 ARG HN 29 VAL HA 5.50 (# 1269:20 Unique 2.89, 3.18 A)
&rst
ixpk= 1269, nxpk= 20, iat= 515, 464, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 TYR HB+ 10 PRO HA 4.50 (# 1270:20 Unique 2.50, 3.07 A)
&rst
ixpk= 1270, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 207, 208,
&end
#
# 0 AMB 20-2:1271 10 PRO HA 5.50 (# 1271:20 Single Ambig)
&rst
ixpk= 1271, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 158, 159, 158, 159,
&end
#
# 14 GLN HN 10 PRO HA 5.50 (# 1272:20 Unique 4.36, 5.13 A)
&rst
ixpk= 1272, nxpk= 20, iat= 224, 167, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 11 GLU HN 10 PRO HA 5.50 (# 1273:20 Unique 3.37, 3.39 A)
&rst
ixpk= 1273, nxpk= 20, iat= 171, 167, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1274 60 ILE HA 5.50 (# 1274:20 Single Ambig)
&rst
ixpk= 1274, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 928, 929, 992, 993,
&end
#
# 0 AMB 20-2:1275 60 ILE HA 5.50 (# 1275:20 Single Ambig)
&rst
ixpk= 1275, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 923, 957, 987, 978, 979,
&end
#
# 61 LEU HN 60 ILE HA 5.50 (# 1276:20 Unique 3.46, 3.50 A)
&rst
ixpk= 1276, nxpk= 20, iat= 955, 938, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 ALA MB 38 PRO HA 5.50 (# 1277:20 Unique 3.03, 6.12 A)
&rst
ixpk= 1277, nxpk= 20, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 562, 563, 564,
&end
#
# 38 PRO HD- 38 PRO HA 5.50 (# 1278:20 Unique 3.60, 3.85 A)
&rst
ixpk= 1278, nxpk= 20, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 609, 610,
&end
#
# 38 PRO HD+ 38 PRO HA 5.50 (# 1279:20 Unique 3.60, 3.85 A)
&rst
ixpk= 1279, nxpk= 20, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 609, 610,
&end
#
# 39 ASP HN 38 PRO HA 5.50 (# 1280:20 Unique 3.39, 3.44 A)
&rst
ixpk= 1280, nxpk= 20, iat= 622, 618, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 19 GLN HA 18 VAL HA 5.50 (# 1281:20 Unique 4.31, 4.36 A)
&rst
ixpk= 1281, nxpk= 20, iat= 308, 292, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 VAL MGY 18 VAL HA 5.50 (# 1282:20 Unique 2.97, 5.60 A)
&rst
ixpk= 1282, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 21 ALA MB 18 VAL HA 5.50 (# 1283:20 Unique 5.50, 6.57 A)
&rst
ixpk= 1283, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 334, 335, 336,
&end
#
# 18 VAL HN 18 VAL HA 4.50 (# 1284:20 Unique 2.28, 2.77 A)
&rst
ixpk= 1284, nxpk= 20, iat= 290, 292, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 83 VAL HN 18 VAL HA 5.50 (# 1285:20 Unique 3.21, 3.66 A)
&rst
ixpk= 1285, nxpk= 20, iat=1280, 292, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1286 35 THR HA 5.50 (# 1286:20 Single Ambig)
&rst
ixpk= 1286, nxpk= 20, iat= -1, 570, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 612, 613, 612, 613,
&end
#
# 34 ALA MB 35 THR HA 5.50 (# 1287:20 Unique 4.15, 5.07 A)
&rst
ixpk= 1287, nxpk= 20, iat= -1, 570, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 562, 563, 564,
&end
#
# 0 AMB 20-2:1288 35 THR HA 3.50 (# 1288:20 Single Ambig)
&rst
ixpk= 1288, nxpk= 20, iat= -1, 570, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 574, 575, 576, 578,
&end
#
# 82 LYS HG+ 81 PRO HA 4.50 (# 1291:20 Unique 3.82, 4.86 A)
&rst
ixpk= 1291, nxpk= 20, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1265,1266,
&end
#
# 82 LYS HD+ 81 PRO HA 4.50 (# 1292:20 Unique 2.43, 3.44 A)
&rst
ixpk= 1292, nxpk= 20, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1268,1269,
&end
#
# 81 PRO HB+ 81 PRO HA 3.50 (# 1293:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1293, nxpk= 20, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1251,1252,
&end
#
# 81 PRO HD- 81 PRO HA 5.50 (# 1294:20 Unique 3.60, 3.85 A)
&rst
ixpk= 1294, nxpk= 20, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1245,1246,
&end
#
# 81 PRO HD+ 81 PRO HA 5.50 (# 1295:20 Unique 3.60, 3.85 A)
&rst
ixpk= 1295, nxpk= 20, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1245,1246,
&end
#
# 68 HIS HN 67 THR HA 5.50 (# 1296:20 Unique 2.40, 2.97 A)
&rst
ixpk= 1296, nxpk= 20, iat=1059,1047, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1297 0 AMB 20-1:1297 5.50 (# 1297:20 Double Ambig)
&rst
ixpk= 1297, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2=1047, 978, 979,
&end
#
# 63 GLU HN 0 AMB 20-1:1298 4.50 (# 1298:20 Single Ambig)
&rst
ixpk= 1298, nxpk= 20, iat= 985, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 978, 979, 978, 979,
&end
#
# 63 GLU HN 0 AMB 20-1:1299 5.50 (# 1299:20 Single Ambig)
&rst
ixpk= 1299, nxpk= 20, iat= 985, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 978, 979, 978, 979,
&end
#
# 0 AMB 20-2:1301 0 AMB 20-1:1301 5.50 (# 1301:20 Double Ambig)
&rst
ixpk= 1301, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2= 978, 979, 978, 979, 978, 979,
&end
#
# 0 AMB 20-2:1302 62 SER HA 3.50 (# 1302:20 Single Ambig)
&rst
ixpk= 1302, nxpk= 20, iat= -1, 976, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 978, 979, 978, 979,
&end
#
# 37 VAL MGX 33 ILE HA 5.50 (# 1304:20 Unique 2.73, 5.26 A)
&rst
ixpk= 1304, nxpk= 20, iat= -1, 541, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 598, 599, 600, 602, 603, 604,
&end
#
# 34 ALA HN 33 ILE HA 5.50 (# 1305:20 Unique 3.41, 3.46 A)
&rst
ixpk= 1305, nxpk= 20, iat= 558, 541, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1306 0 AMB 20-1:1306 5.50 (# 1306:20 Double Ambig)
&rst
ixpk= 1306, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 515, 141,
igr2= 541, 402,
&end
#
# 0 AMB 20-2:1307 44 VAL HA 4.50 (# 1307:20 Single Ambig)
&rst
ixpk= 1307, nxpk= 20, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 716, 717, 716, 717,
&end
#
# 0 AMB 20-2:1309 44 VAL HA 5.50 (# 1309:20 Single Ambig)
&rst
ixpk= 1309, nxpk= 20, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 33, 34, 674, 675,
&end
#
# 14 GLN HN 13 TYR HA 5.50 (# 1311:20 Unique 3.42, 3.53 A)
&rst
ixpk= 1311, nxpk= 20, iat= 224, 205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 VAL MGX 54 SER HB- 5.50 (# 1312:20 Unique 2.00, 5.10 A)
&rst
ixpk= 1312, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 858, 859,
&end
#
# 47 TYR HA 54 SER HB- 5.50 (# 1313:20 Unique 3.33, 4.36 A)
&rst
ixpk= 1313, nxpk= 20, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 858, 859,
&end
#
# 46 VAL HA 54 SER HB- 5.50 (# 1314:20 Unique 4.32, 5.65 A)
&rst
ixpk= 1314, nxpk= 20, iat= 736, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 858, 859,
&end
#
# 46 VAL MGX 54 SER HB- 5.50 (# 1315:20 Unique 2.00, 4.85 A)
&rst
ixpk= 1315, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 740, 741, 742, 744, 745, 746,
igr2= 858, 859,
&end
#
# 15 GLN HN 13 TYR HA 5.50 (# 1317:20 Unique 3.65, 4.07 A)
&rst
ixpk= 1317, nxpk= 20, iat= 241, 205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 VAL HA 0 AMB 20-1:1318 5.50 (# 1318:20 Single Ambig)
&rst
ixpk= 1318, nxpk= 20, iat= 736, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 858, 859, 856,
&end
#
# 54 SER HN 0 AMB 20-1:1319 5.50 (# 1319:20 Single Ambig)
&rst
ixpk= 1319, nxpk= 20, iat= 854, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 858, 859, 856,
&end
#
# 57 ALA HN 54 SER HA 5.50 (# 1320:20 Unique 3.25, 3.65 A)
&rst
ixpk= 1320, nxpk= 20, iat= 889, 856, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 VAL HB 0 AMB 20-1:1321 5.50 (# 1321:20 Single Ambig)
&rst
ixpk= 1321, nxpk= 20, iat= 738, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 856, 858, 859,
&end
#
# 7 VAL MGY 0 AMB 20-1:1322 4.50 (# 1322:20 Single Ambig)
&rst
ixpk= 1322, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 856, 858, 859,
&end
#
# 25 PRO HB- 9 VAL HA 5.50 (# 1323:20 Unique 2.07, 2.75 A)
&rst
ixpk= 1323, nxpk= 20, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 399, 400,
&end
#
# 11 GLU HN 9 VAL HA 5.50 (# 1324:20 Unique 3.91, 3.92 A)
&rst
ixpk= 1324, nxpk= 20, iat= 171, 143, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 LEU MDX 58 LYS HA 5.50 (# 1325:20 Unique 2.00, 4.39 A)
&rst
ixpk= 1325, nxpk= 20, iat= -1, 901, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:1326 30 LYS HA 5.50 (# 1326:20 Single Ambig)
&rst
ixpk= 1326, nxpk= 20, iat= -1, 480, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 466, 504, 505, 504, 505,
&end
#
# 31 GLU HN 30 LYS HA 5.50 (# 1327:20 Unique 3.44, 3.49 A)
&rst
ixpk= 1327, nxpk= 20, iat= 500, 480, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1328 11 GLU HA 4.50 (# 1328:20 Single Ambig)
&rst
ixpk= 1328, nxpk= 20, iat= -1, 173, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 231, 232, 231, 232,
&end
#
# 14 GLN HN 11 GLU HA 4.50 (# 1329:20 Unique 4.27, 4.47 A)
&rst
ixpk= 1329, nxpk= 20, iat= 224, 173, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 12 GLN HN 11 GLU HA 5.50 (# 1330:20 Unique 3.42, 3.46 A)
&rst
ixpk= 1330, nxpk= 20, iat= 186, 173, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1331 7 VAL HA 5.50 (# 1331:20 Single Ambig)
&rst
ixpk= 1331, nxpk= 20, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 377, 893, 894, 895,
&end
#
# 0 AMB 20-2:1332 69 VAL HA 5.50 (# 1332:20 Single Ambig)
&rst
ixpk= 1332, nxpk= 20, iat= -1,1078, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 702, 703, 704, 706, 707, 708, 719, 720,
&end
#
# 0 AMB 20-2:1333 0 AMB 20-1:1333 3.50 (# 1333:20 Double Ambig)
&rst
ixpk= 1333, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 959, 960, 482, 483,
igr2= 901, 480,
&end
#
# 0 AMB 20-2:1334 0 AMB 20-1:1334 3.50 (# 1334:20 Double Ambig)
&rst
ixpk= 1334, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1=1011,1012,1013, 903, 904,
igr2= 480, 901,
&end
#
# 0 AMB 20-2:1335 0 AMB 20-1:1335 5.50 (# 1335:20 Double Ambig)
&rst
ixpk= 1335, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 921, 462,
igr2= 901, 480,
&end
#
# 0 AMB 20-2:1336 0 AMB 20-1:1336 4.50 (# 1336:20 Double Ambig)
&rst
ixpk= 1336, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 955, 539,
igr2= 901, 480,
&end
#
# 52 ARG HG+ 52 ARG HA 4.50 (# 1337:20 Unique 2.20, 2.92 A)
&rst
ixpk= 1337, nxpk= 20, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 820, 821,
&end
#
# 0 AMB 20-2:1338 83 VAL HA 5.50 (# 1338:20 Single Ambig)
&rst
ixpk= 1338, nxpk= 20, iat= -1,1282, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1300,1301, 265, 266, 310, 311,
&end
#
# 40 LYS HG- 66 TYR HA 5.50 (# 1339:20 Unique 2.00, 4.68 A)
&rst
ixpk= 1339, nxpk= 20, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 641, 642,
&end
#
# 0 AMB 20-2:1340 66 TYR HA 5.50 (# 1340:20 Single Ambig)
&rst
ixpk= 1340, nxpk= 20, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 0 AMB 20-2:1341 66 TYR HA 4.50 (# 1341:20 Single Ambig)
&rst
ixpk= 1341, nxpk= 20, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 641, 642, 644, 645,
&end
#
# 66 TYR HD 66 TYR HA 5.50 (# 1342:20 Unique 2.12, 3.55 A)
&rst
ixpk= 1342, nxpk= 20, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1032,1041,
&end
#
# 0 AMB 20-2:1344 52 ARG HA 5.50 (# 1344:20 Single Ambig)
&rst
ixpk= 1344, nxpk= 20, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 823, 824, 823, 824,
&end
#
# 0 AMB 20-2:1345 59 GLU HA 5.50 (# 1345:20 Single Ambig)
&rst
ixpk= 1345, nxpk= 20, iat= -1, 923, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 906, 907, 959, 960,
&end
#
# 22 ILE HG1- 22 ILE HA 5.50 (# 1346:20 Unique 2.19, 2.79 A)
&rst
ixpk= 1346, nxpk= 20, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 350, 351,
&end
#
# 23 ASN HN 22 ILE HA 3.50 (# 1348:20 Unique 2.14, 2.26 A)
&rst
ixpk= 1348, nxpk= 20, iat= 359, 342, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1349 0 AMB 20-1:1349 5.50 (# 1349:20 Double Ambig)
&rst
ixpk= 1349, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 425, 974,
igr2= 427, 923,
&end
#
# 26 LEU MDY 56 GLN HA 5.50 (# 1350:20 Unique 3.93, 5.49 A)
&rst
ixpk= 1350, nxpk= 20, iat= -1, 874, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 415, 416, 417, 419, 420, 421,
&end
#
# 57 ALA HN 56 GLN HA 5.50 (# 1351:20 Unique 3.40, 3.47 A)
&rst
ixpk= 1351, nxpk= 20, iat= 889, 874, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 GLU HN 15 GLN HA 5.50 (# 1352:20 Unique 2.17, 3.01 A)
&rst
ixpk= 1352, nxpk= 20, iat= 258, 243, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 VAL HN 26 LEU HA 5.50 (# 1353:20 Unique 2.93, 3.26 A)
&rst
ixpk= 1353, nxpk= 20, iat= 462, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 28 GLU HN 26 LEU HA 5.50 (# 1354:20 Unique 3.54, 3.80 A)
&rst
ixpk= 1354, nxpk= 20, iat= 447, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 LYS HN 26 LEU HA 5.50 (# 1355:20 Unique 3.43, 3.50 A)
&rst
ixpk= 1355, nxpk= 20, iat= 425, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 9 VAL MGX 12 GLN HA 5.50 (# 1356:20 Unique 3.94, 6.31 A)
&rst
ixpk= 1356, nxpk= 20, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 15 GLN HN 12 GLN HA 5.50 (# 1357:20 Unique 2.75, 3.70 A)
&rst
ixpk= 1357, nxpk= 20, iat= 241, 188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1358 12 GLN HA 5.50 (# 1358:20 Single Ambig)
&rst
ixpk= 1358, nxpk= 20, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 203, 258,
&end
#
# 39 ASP HN 37 VAL HA 5.50 (# 1359:20 Unique 3.09, 3.25 A)
&rst
ixpk= 1359, nxpk= 20, iat= 622, 594, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 ILE HN 76 LYS HA 5.50 (# 1360:20 Unique 3.72, 4.37 A)
&rst
ixpk= 1360, nxpk= 20, iat=1198,1166, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 ASP HN 76 LYS HA 5.50 (# 1361:20 Unique 2.53, 2.99 A)
&rst
ixpk= 1361, nxpk= 20, iat=1186,1166, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1362 75 LEU HA 4.50 (# 1362:20 Single Ambig)
&rst
ixpk= 1362, nxpk= 20, iat= -1,1147, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1152,1208,1209,
&end
#
# 78 ILE HG1- 75 LEU HA 5.50 (# 1363:20 Unique 2.59, 4.87 A)
&rst
ixpk= 1363, nxpk= 20, iat= -1,1147, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1208,1209,
&end
#
# 78 ILE HN 75 LEU HA 5.50 (# 1364:20 Unique 3.39, 4.05 A)
&rst
ixpk= 1364, nxpk= 20, iat=1198,1147, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 76 LYS HN 75 LEU HA 5.50 (# 1365:20 Unique 2.18, 3.27 A)
&rst
ixpk= 1365, nxpk= 20, iat=1164,1147, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 VAL MGY 19 GLN HA 4.50 (# 1366:20 Unique 2.25, 4.60 A)
&rst
ixpk= 1366, nxpk= 20, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 21 ALA HN 19 GLN HA 4.50 (# 1367:20 Unique 3.37, 4.19 A)
&rst
ixpk= 1367, nxpk= 20, iat= 330, 308, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1368 46 VAL HA 5.50 (# 1368:20 Single Ambig)
&rst
ixpk= 1368, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 702, 703, 704, 706, 707, 708, 76, 77, 78,
&end
#
# 66 TYR HA 40 LYS HA 4.50 (# 1369:20 Unique 2.82, 3.61 A)
&rst
ixpk= 1369, nxpk= 20, iat=1026, 636, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 GLN HN 14 GLN HA 4.50 (# 1371:20 Unique 2.49, 3.01 A)
&rst
ixpk= 1371, nxpk= 20, iat= 241, 226, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1372 14 GLN HA 5.50 (# 1372:20 Single Ambig)
&rst
ixpk= 1372, nxpk= 20, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 258, 203,
&end
#
# 0 AMB 20-2:1374 31 GLU HA 5.50 (# 1374:20 Single Ambig)
&rst
ixpk= 1374, nxpk= 20, iat= -1, 502, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 562, 563, 564, 485, 486,
&end
#
# 0 AMB 20-2:1375 31 GLU HA 5.50 (# 1375:20 Single Ambig)
&rst
ixpk= 1375, nxpk= 20, iat= -1, 502, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 482, 483, 519, 520, 522, 523, 543,
&end
#
# 32 ARG HN 31 GLU HA 4.50 (# 1376:20 Unique 3.22, 3.24 A)
&rst
ixpk= 1376, nxpk= 20, iat= 515, 502, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 37 VAL MGY 40 LYS HA 4.50 (# 1377:20 Unique 3.18, 5.83 A)
&rst
ixpk= 1377, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 598, 599, 600, 602, 603, 604,
&end
#
# 41 ASN HN 40 LYS HA 5.50 (# 1378:20 Unique 2.55, 3.03 A)
&rst
ixpk= 1378, nxpk= 20, iat= 656, 636, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 42 ASP HN 40 LYS HA 5.50 (# 1379:20 Unique 3.42, 4.05 A)
&rst
ixpk= 1379, nxpk= 20, iat= 670, 636, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 75 LEU HB- 49 ASN HA 5.50 (# 1380:20 Unique 2.00, 4.16 A)
&rst
ixpk= 1380, nxpk= 20, iat= -1, 784, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1149,1150,
&end
#
# 75 LEU HB+ 49 ASN HA 5.50 (# 1381:20 Unique 2.00, 4.16 A)
&rst
ixpk= 1381, nxpk= 20, iat= -1, 784, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1149,1150,
&end
#
# 0 AMB 20-2:1382 32 ARG HA 5.50 (# 1382:20 Single Ambig)
&rst
ixpk= 1382, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 386, 387, 388, 379, 380, 381,
&end
#
# 35 THR HG1 32 ARG HA 5.50 (# 1383:20 Unique 2.36, 3.80 A)
&rst
ixpk= 1383, nxpk= 20, iat= 578, 517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1384 32 ARG HA 5.50 (# 1384:20 Single Ambig)
&rst
ixpk= 1384, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 504, 505, 504, 505,
&end
#
# 35 THR HN 32 ARG HA 5.50 (# 1385:20 Unique 3.17, 3.69 A)
&rst
ixpk= 1385, nxpk= 20, iat= 568, 517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 33 ILE HN 32 ARG HA 5.50 (# 1386:20 Unique 2.43, 3.23 A)
&rst
ixpk= 1386, nxpk= 20, iat= 539, 517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 72 ALA MB 47 TYR HA 5.50 (# 1387:20 Unique 2.36, 4.32 A)
&rst
ixpk= 1387, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1125,1126,1127,
&end
#
# 54 SER HB- 47 TYR HA 4.50 (# 1388:20 Unique 3.33, 4.36 A)
&rst
ixpk= 1388, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 858, 859,
&end
#
# 73 GLY HN 47 TYR HA 5.50 (# 1389:20 Unique 1.95, 2.53 A)
&rst
ixpk= 1389, nxpk= 20, iat=1131, 752, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1390 64 MET HA 5.50 (# 1390:20 Single Ambig)
&rst
ixpk= 1390, nxpk= 20, iat= -1,1002, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1011,1012,1013, 989, 990,
&end
#
# 0 AMB 20-2:1391 16 GLU HA 5.50 (# 1391:20 Single Ambig)
&rst
ixpk= 1391, nxpk= 20, iat= -1, 260, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1303,1304,1303,1304,
&end
#
# 0 AMB 20-2:1392 4 TRP HA 5.50 (# 1392:20 Single Ambig)
&rst
ixpk= 1392, nxpk= 20, iat= -1, 48, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 719, 720, 722, 723, 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1393 4 TRP HA 5.50 (# 1393:20 Single Ambig)
&rst
ixpk= 1393, nxpk= 20, iat= -1, 48, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:1394 4 TRP HA 5.50 (# 1394:20 Single Ambig)
&rst
ixpk= 1394, nxpk= 20, iat= -1, 48, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 334, 335, 336, 74, 18, 19, 18, 19,
&end
#
# 4 TRP HE3 4 TRP HA 5.50 (# 1395:20 Unique 2.13, 2.90 A)
&rst
ixpk= 1395, nxpk= 20, iat= 65, 48, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 VAL MGX 8 ARG HA 5.50 (# 1397:20 Unique 3.32, 5.68 A)
&rst
ixpk= 1397, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 9 VAL MGX 8 ARG HA 5.50 (# 1398:20 Unique 4.00, 5.07 A)
&rst
ixpk= 1398, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 9 VAL MGY 8 ARG HA 5.50 (# 1399:20 Unique 4.00, 5.07 A)
&rst
ixpk= 1399, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 31 GLU HN 28 GLU HA 5.50 (# 1400:20 Unique 3.54, 3.73 A)
&rst
ixpk= 1400, nxpk= 20, iat= 500, 449, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 LEU MDX 57 ALA HA 5.50 (# 1402:20 Unique 3.88, 5.95 A)
&rst
ixpk= 1402, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 964, 965, 966, 968, 969, 970,
&end
#
# 60 ILE HG1+ 57 ALA HA 5.50 (# 1403:20 Unique 1.98, 2.70 A)
&rst
ixpk= 1403, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 946, 947,
&end
#
# 0 AMB 20-2:1404 57 ALA HA 5.50 (# 1404:20 Single Ambig)
&rst
ixpk= 1404, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 962, 413,
&end
#
# 0 AMB 20-2:1405 57 ALA HA 5.50 (# 1405:20 Single Ambig)
&rst
ixpk= 1405, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 876, 877, 925, 926, 925, 926,
&end
#
# 0 AMB 20-2:1406 57 ALA HA 5.50 (# 1406:20 Single Ambig)
&rst
ixpk= 1406, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 921, 872,
&end
#
# 58 LYS HN 57 ALA HA 5.50 (# 1407:20 Unique 3.32, 3.44 A)
&rst
ixpk= 1407, nxpk= 20, iat= 899, 891, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1408 2 GLU HA 5.50 (# 1408:20 Single Ambig)
&rst
ixpk= 1408, nxpk= 20, iat= -1, 16, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 674, 675, 33, 34,
&end
#
# 78 ILE HN 77 ASP HA 5.50 (# 1409:20 Unique 3.44, 3.53 A)
&rst
ixpk= 1409, nxpk= 20, iat=1198,1188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 ASP HN 77 ASP HA 4.50 (# 1410:20 Unique 2.76, 2.86 A)
&rst
ixpk= 1410, nxpk= 20, iat=1186,1188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 ILE QD1 34 ALA HA 5.50 (# 1411:20 Unique 5.22, 6.32 A)
&rst
ixpk= 1411, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 552, 553, 554,
&end
#
# 0 AMB 20-2:1412 34 ALA HA 5.50 (# 1412:20 Single Ambig)
&rst
ixpk= 1412, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 549, 550, 598, 599, 600, 602, 603, 604,
&end
#
# 37 VAL HB 34 ALA HA 5.50 (# 1413:20 Unique 3.13, 5.12 A)
&rst
ixpk= 1413, nxpk= 20, iat= 596, 560, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 3 HIS HN 3 HIS HA 5.50 (# 1415:20 Unique 2.91, 2.93 A)
&rst
ixpk= 1415, nxpk= 20, iat= 29, 31, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1416 68 HIS HA 5.50 (# 1416:20 Single Ambig)
&rst
ixpk= 1416, nxpk= 20, iat= -1,1061, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 38 PRO HD- 36 ALA HA 5.50 (# 1417:20 Unique 3.42, 4.19 A)
&rst
ixpk= 1417, nxpk= 20, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 609, 610,
&end
#
# 0 AMB 20-2:1418 36 ALA HA 5.50 (# 1418:20 Single Ambig)
&rst
ixpk= 1418, nxpk= 20, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 353, 354, 355, 346, 347, 348,
&end
#
# 0 AMB 20-2:1419 36 ALA HA 5.50 (# 1419:20 Single Ambig)
&rst
ixpk= 1419, nxpk= 20, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 83, 84, 85, 386, 387, 388,
&end
#
# 37 VAL MGX 36 ALA HA 5.50 (# 1420:20 Unique 4.17, 6.34 A)
&rst
ixpk= 1420, nxpk= 20, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 598, 599, 600, 602, 603, 604,
&end
#
# 0 AMB 20-2:1421 70 GLU HA 4.50 (# 1421:20 Single Ambig)
&rst
ixpk= 1421, nxpk= 20, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 0 AMB 20-2:1423 70 GLU HA 4.50 (# 1423:20 Single Ambig)
&rst
ixpk= 1423, nxpk= 20, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 912, 913, 912, 913,
&end
#
# 0 AMB 20-2:1424 39 ASP HA 5.50 (# 1424:20 Single Ambig)
&rst
ixpk= 1424, nxpk= 20, iat= -1, 624, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 644, 645, 641, 642,
&end
#
# 40 LYS HB- 39 ASP HA 5.50 (# 1425:20 Unique 4.44, 5.16 A)
&rst
ixpk= 1425, nxpk= 20, iat= -1, 624, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 638, 639,
&end
#
# 41 ASN HN 39 ASP HA 5.50 (# 1426:20 Unique 3.43, 4.07 A)
&rst
ixpk= 1426, nxpk= 20, iat= 656, 624, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 42 ASP HN 41 ASN HA 4.50 (# 1427:20 Unique 2.45, 2.99 A)
&rst
ixpk= 1427, nxpk= 20, iat= 670, 658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1428 72 ALA HA 5.50 (# 1428:20 Single Ambig)
&rst
ixpk= 1428, nxpk= 20, iat= -1,1123, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 716, 717, 716, 717,
&end
#
# 0 AMB 20-2:1429 72 ALA HA 5.50 (# 1429:20 Single Ambig)
&rst
ixpk= 1429, nxpk= 20, iat= -1,1123, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 722, 723, 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:1430 72 ALA HA 5.50 (# 1430:20 Single Ambig)
&rst
ixpk= 1430, nxpk= 20, iat= -1,1123, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1099,1100,1099,1100,
&end
#
# 73 GLY HN 72 ALA HA 5.50 (# 1431:20 Unique 3.51, 3.57 A)
&rst
ixpk= 1431, nxpk= 20, iat=1131,1123, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1434 21 ALA HA 5.50 (# 1434:20 Single Ambig)
&rst
ixpk= 1434, nxpk= 20, iat= -1, 332, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 342, 325, 326,
&end
#
# 4 TRP HN 21 ALA HA 5.50 (# 1435:20 Unique 3.01, 3.57 A)
&rst
ixpk= 1435, nxpk= 20, iat= 46, 332, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1436 1 ALA HA 5.50 (# 1436:20 Single Ambig)
&rst
ixpk= 1436, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 18, 19, 18, 19,
&end
#
# 6 ASP HN 6 ASP HA 5.50 (# 1437:20 Unique 2.84, 2.84 A)
&rst
ixpk= 1437, nxpk= 20, iat= 89, 91, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 TYR HN 6 ASP HA 5.50 (# 1438:20 Unique 1.92, 2.65 A)
&rst
ixpk= 1438, nxpk= 20, iat= 750, 91, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 6 ASP HB- 6 ASP HA 4.50 (# 1439:20 Unique 2.33, 2.58 A)
&rst
ixpk= 1439, nxpk= 20, iat= -1, 91, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 93, 94,
&end
#
# 6 ASP HB+ 6 ASP HA 5.50 (# 1440:20 Unique 2.33, 2.58 A)
&rst
ixpk= 1440, nxpk= 20, iat= -1, 91, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 93, 94,
&end
#
# 0 AMB 20-2:1441 6 ASP HA 5.50 (# 1441:20 Single Ambig)
&rst
ixpk= 1441, nxpk= 20, iat= -1, 91, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 740, 741, 742, 744, 745, 746, 107, 108, 109, 111,
112, 113,
&end
#
# 7 VAL MGX 6 ASP HA 5.50 (# 1442:20 Unique 3.40, 5.21 A)
&rst
ixpk= 1442, nxpk= 20, iat= -1, 91, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 73 GLY HN 71 ASN HA 5.50 (# 1443:20 Unique 3.66, 4.22 A)
&rst
ixpk= 1443, nxpk= 20, iat=1131,1109, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 72 ALA MB 71 ASN HA 5.50 (# 1444:20 Unique 4.06, 4.97 A)
&rst
ixpk= 1444, nxpk= 20, iat= -1,1109, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1125,1126,1127,
&end
#
# 9 VAL MGX 0 AMB 20-1:1445 4.50 (# 1445:20 Single Ambig)
&rst
ixpk= 1445, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 147, 148, 149, 151, 152, 153,
igr2= 158, 159, 158, 159,
&end
#
# 11 GLU HN 0 AMB 20-1:1446 4.50 (# 1446:20 Single Ambig)
&rst
ixpk= 1446, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 158, 159, 158, 159,
&end
#
# 78 ILE QG2 79 ALA HA 5.50 (# 1449:20 Unique 3.55, 4.92 A)
&rst
ixpk= 1449, nxpk= 20, iat= -1,1219, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1204,1205,1206,
&end
#
# 0 AMB 20-2:1450 79 ALA HA 5.50 (# 1450:20 Single Ambig)
&rst
ixpk= 1450, nxpk= 20, iat= -1,1219, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1268,1269,1234,1235,1202,
&end
#
# 78 ILE HA 79 ALA HA 5.50 (# 1451:20 Unique 4.35, 4.40 A)
&rst
ixpk= 1451, nxpk= 20, iat=1200,1219, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 80 MET HB- 81 PRO HD+ 5.50 (# 1452:20 Unique 1.96, 3.42 A)
&rst
ixpk= 1452, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1231,1232,
igr2=1245,1246,
&end
#
# 81 PRO HB+ 81 PRO HD+ 5.50 (# 1453:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1453, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1251,1252,
igr2=1245,1246,
&end
#
# 81 PRO HA 81 PRO HD+ 5.50 (# 1454:20 Unique 3.60, 3.85 A)
&rst
ixpk= 1454, nxpk= 20, iat=1254, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1245,1246,
&end
#
# 18 VAL MGX 81 PRO HD- 5.50 (# 1455:20 Unique 3.94, 7.20 A)
&rst
ixpk= 1455, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 296, 297, 298, 300, 301, 302,
igr2=1245,1246,
&end
#
# 80 MET HB- 81 PRO HD- 4.50 (# 1456:20 Unique 1.96, 3.42 A)
&rst
ixpk= 1456, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1231,1232,
igr2=1245,1246,
&end
#
# 81 PRO HB+ 81 PRO HD- 5.50 (# 1457:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1457, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1251,1252,
igr2=1245,1246,
&end
#
# 81 PRO HA 81 PRO HD- 5.50 (# 1458:20 Unique 3.60, 3.85 A)
&rst
ixpk= 1458, nxpk= 20, iat=1254, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1245,1246,
&end
#
# 0 AMB 20-2:1459 0 AMB 20-1:1459 4.50 (# 1459:20 Double Ambig)
&rst
ixpk= 1459, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 451, 452, 454, 455,
igr2= 393, 394, 393, 394,
&end
#
# 25 PRO HB- 25 PRO HD- 5.50 (# 1460:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1460, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 399, 400,
igr2= 393, 394,
&end
#
# 0 AMB 20-2:1461 25 PRO HD- 4.50 (# 1461:20 Single Ambig)
&rst
ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 454, 455, 399, 400,
igr2= 393, 394,
&end
#
# 23 ASN HD2+ 25 PRO HD- 5.50 (# 1462:20 Unique 1.95, 3.58 A)
&rst
ixpk= 1462, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 393, 394,
&end
#
# 37 VAL MGY 38 PRO HD- 5.50 (# 1463:20 Unique 3.63, 5.25 A)
&rst
ixpk= 1463, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 609, 610,
&end
#
# 38 PRO HA 38 PRO HD- 5.50 (# 1464:20 Unique 3.60, 3.85 A)
&rst
ixpk= 1464, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 609, 610,
&end
#
# 36 ALA HA 38 PRO HD- 5.50 (# 1465:20 Unique 3.42, 4.19 A)
&rst
ixpk= 1465, nxpk= 20, iat= 584, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 609, 610,
&end
#
# 39 ASP HN 38 PRO HD- 5.50 (# 1466:20 Unique 2.68, 3.34 A)
&rst
ixpk= 1466, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 609, 610,
&end
#
# 37 VAL HN 38 PRO HD- 5.50 (# 1467:20 Unique 2.94, 3.64 A)
&rst
ixpk= 1467, nxpk= 20, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 609, 610,
&end
#
# 37 VAL MGX 38 PRO HD+ 5.50 (# 1468:20 Unique 3.63, 5.25 A)
&rst
ixpk= 1468, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 609, 610,
&end
#
# 37 VAL MGY 38 PRO HD+ 5.50 (# 1469:20 Unique 3.63, 5.25 A)
&rst
ixpk= 1469, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 609, 610,
&end
#
# 0 AMB 20-2:1470 0 AMB 20-1:1470 4.50 (# 1470:20 Double Ambig)
&rst
ixpk= 1470, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 615, 616, 626, 627,
igr2= 609, 610, 609, 610,
&end
#
# 36 ALA HA 38 PRO HD+ 5.50 (# 1471:20 Unique 3.42, 4.19 A)
&rst
ixpk= 1471, nxpk= 20, iat= 584, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 609, 610,
&end
#
# 38 PRO HA 38 PRO HD+ 5.50 (# 1472:20 Unique 3.60, 3.85 A)
&rst
ixpk= 1472, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 609, 610,
&end
#
# 37 VAL HN 38 PRO HD+ 5.50 (# 1473:20 Unique 2.94, 3.64 A)
&rst
ixpk= 1473, nxpk= 20, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 609, 610,
&end
#
# 58 LYS HB+ 55 GLY HA+ 5.50 (# 1474:20 Unique 1.99, 3.75 A)
&rst
ixpk= 1474, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 903, 904,
igr2= 867, 868,
&end
#
# 0 AMB 20-2:1475 0 AMB 20-1:1475 5.50 (# 1475:20 Double Ambig)
&rst
ixpk= 1475, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1111,1112, 879, 880,
igr2= 867, 868, 867, 868,
&end
#
# 71 ASN HB- 55 GLY HA- 4.50 (# 1476:20 Unique 2.80, 5.94 A)
&rst
ixpk= 1476, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1111,1112,
igr2= 867, 868,
&end
#
# 0 AMB 20-2:1477 55 GLY HA- 5.50 (# 1477:20 Single Ambig)
&rst
ixpk= 1477, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 903, 904, 909, 910,
igr2= 867, 868,
&end
#
# 0 AMB 20-2:1478 0 AMB 20-1:1478 5.50 (# 1478:20 Double Ambig)
&rst
ixpk= 1478, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 903, 904, 909, 910,
igr2= 867, 868, 867, 868,
&end
#
# 52 ARG HA 55 GLY HA+ 5.50 (# 1479:20 Unique 3.71, 5.06 A)
&rst
ixpk= 1479, nxpk= 20, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 867, 868,
&end
#
# 52 ARG HA 55 GLY HA- 5.50 (# 1480:20 Unique 3.71, 5.06 A)
&rst
ixpk= 1480, nxpk= 20, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 867, 868,
&end
#
# 71 ASN HD2- 55 GLY HA+ 5.50 (# 1481:20 Unique 2.91, 5.36 A)
&rst
ixpk= 1481, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1116,1117,
igr2= 867, 868,
&end
#
# 71 ASN HD2- 55 GLY HA- 5.50 (# 1482:20 Unique 2.91, 5.36 A)
&rst
ixpk= 1482, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1116,1117,
igr2= 867, 868,
&end
#
# 58 LYS HN 55 GLY HA- 5.50 (# 1483:20 Unique 2.98, 3.85 A)
&rst
ixpk= 1483, nxpk= 20, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 867, 868,
&end
#
# 58 LYS HN 55 GLY HA+ 5.50 (# 1484:20 Unique 2.98, 3.85 A)
&rst
ixpk= 1484, nxpk= 20, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 867, 868,
&end
#
# 71 ASN HD2+ 55 GLY HA+ 5.50 (# 1485:20 Unique 2.91, 5.36 A)
&rst
ixpk= 1485, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1116,1117,
igr2= 867, 868,
&end
#
# 71 ASN HD2+ 55 GLY HA- 5.50 (# 1486:20 Unique 2.91, 5.36 A)
&rst
ixpk= 1486, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1116,1117,
igr2= 867, 868,
&end
#
# 0 AMB 20-2:1487 0 AMB 20-1:1487 5.50 (# 1487:20 Double Ambig)
&rst
ixpk= 1487, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1133,1134,1140,1141,
igr2= 808, 809, 808, 809,
&end
#
# 0 AMB 20-2:1490 0 AMB 20-1:1490 5.50 (# 1490:20 Double Ambig)
&rst
ixpk= 1490, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 813, 854,
igr2= 808, 809, 808, 809,
&end
#
# 0 AMB 20-2:1492 0 AMB 20-1:1492 5.50 (# 1492:20 Double Ambig)
&rst
ixpk= 1492, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 854,1186,
igr2= 808, 809,1133,1134,1133,1134,
&end
#
# 21 ALA HN 20 GLY HA+ 5.50 (# 1494:20 Unique 2.41, 3.09 A)
&rst
ixpk= 1494, nxpk= 20, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 325, 326,
&end
#
# 21 ALA HN 20 GLY HA+ 5.50 (# 1495:20 Unique 2.41, 3.09 A)
&rst
ixpk= 1495, nxpk= 20, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 325, 326,
&end
#
# 21 ALA HN 20 GLY HA- 5.50 (# 1498:20 Unique 2.41, 3.09 A)
&rst
ixpk= 1498, nxpk= 20, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 325, 326,
&end
#
# 21 ALA HN 20 GLY HA- 5.50 (# 1499:20 Unique 2.41, 3.09 A)
&rst
ixpk= 1499, nxpk= 20, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 325, 326,
&end
#
# 0 AMB 20-2:1500 0 AMB 20-1:1500 5.50 (# 1500:20 Double Ambig)
&rst
ixpk= 1500, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 647, 648, 647, 648,
igr2=1019,1020,1019,1020,
&end
#
# 66 TYR HN 65 GLY HA+ 5.50 (# 1501:20 Unique 2.64, 3.20 A)
&rst
ixpk= 1501, nxpk= 20, iat=1024, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1019,1020,
&end
#
# 0 AMB 20-2:1502 65 GLY HA- 4.50 (# 1502:20 Single Ambig)
&rst
ixpk= 1502, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 644, 645,1051,1052,1053,
igr2=1019,1020,
&end
#
# 66 TYR HN 65 GLY HA- 4.50 (# 1503:20 Unique 2.64, 3.20 A)
&rst
ixpk= 1503, nxpk= 20, iat=1024, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1019,1020,
&end
#
# 66 TYR HN 65 GLY HA- 4.50 (# 1504:20 Unique 2.64, 3.20 A)
&rst
ixpk= 1504, nxpk= 20, iat=1024, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1019,1020,
&end
#
# 0 AMB 20-2:1505 0 AMB 20-1:1505 5.50 (# 1505:20 Double Ambig)
&rst
ixpk= 1505, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1=1125,1126,1127,1149,1150,
igr2=1140,1141,1140,1141,
&end
#
# 48 CYS HN 74 GLY HA+ 5.50 (# 1507:20 Unique 1.97, 3.79 A)
&rst
ixpk= 1507, nxpk= 20, iat= 771, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1140,1141,
&end
#
# 0 AMB 20-2:1508 74 GLY HA- 5.50 (# 1508:20 Single Ambig)
&rst
ixpk= 1508, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1125,1126,1127,1149,1150,1202,
igr2=1140,1141,
&end
#
# 48 CYS HN 74 GLY HA- 5.50 (# 1509:20 Unique 1.97, 3.79 A)
&rst
ixpk= 1509, nxpk= 20, iat= 771, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1140,1141,
&end
#
# 76 LYS HN 74 GLY HA- 5.50 (# 1510:20 Unique 3.10, 4.52 A)
&rst
ixpk= 1510, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1140,1141,
&end
#
# 0 AMB 20-2:1511 0 AMB 20-1:1511 5.50 (# 1511:20 Double Ambig)
&rst
ixpk= 1511, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 124, 125, 124, 125,
igr2= 127, 128, 127, 128,
&end
#
# 9 VAL HN 8 ARG HD+ 5.50 (# 1512:20 Unique 4.41, 5.30 A)
&rst
ixpk= 1512, nxpk= 20, iat= 141, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 127, 128,
&end
#
# 15 GLN HN 8 ARG HD+ 5.50 (# 1513:20 Unique 4.01, 5.38 A)
&rst
ixpk= 1513, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 127, 128,
&end
#
# 0 AMB 20-2:1514 8 ARG HD- 4.50 (# 1514:20 Single Ambig)
&rst
ixpk= 1514, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 190, 191, 121, 122,
igr2= 127, 128,
&end
#
# 49 ASN HN 8 ARG HD- 5.50 (# 1516:20 Unique 2.01, 4.79 A)
&rst
ixpk= 1516, nxpk= 20, iat= 782, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 127, 128,
&end
#
# 8 ARG HE 8 ARG HD- 5.50 (# 1517:20 Unique 2.31, 2.76 A)
&rst
ixpk= 1517, nxpk= 20, iat= 130, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 127, 128,
&end
#
# 15 GLN HN 8 ARG HD- 5.50 (# 1518:20 Unique 4.01, 5.38 A)
&rst
ixpk= 1518, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 127, 128,
&end
#
# 0 AMB 20-2:1519 0 AMB 20-1:1519 5.50 (# 1519:20 Double Ambig)
&rst
ixpk= 1519, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 504, 505, 504, 505,
igr2= 525, 526, 525, 526,
&end
#
# 0 AMB 20-2:1520 32 ARG HD- 5.50 (# 1520:20 Single Ambig)
&rst
ixpk= 1520, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 504, 505, 504, 505,
igr2= 525, 526,
&end
#
# 32 ARG HA 32 ARG HD+ 5.50 (# 1523:20 Unique 2.44, 3.93 A)
&rst
ixpk= 1523, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 525, 526,
&end
#
# 32 ARG HA 32 ARG HD- 5.50 (# 1524:20 Unique 2.44, 3.93 A)
&rst
ixpk= 1524, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 525, 526,
&end
#
# 0 AMB 20-2:1527 0 AMB 20-1:1527 5.50 (# 1527:20 Double Ambig)
&rst
ixpk= 1527, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 124, 125, 124, 125,
igr2= 93, 94, 93, 94,
&end
#
# 0 AMB 20-2:1528 0 AMB 20-1:1528 5.50 (# 1528:20 Double Ambig)
&rst
ixpk= 1528, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 91, 775, 776,
igr2= 93, 94, 93, 94,
&end
#
# 23 ASN HD2- 6 ASP HB+ 5.50 (# 1529:20 Unique 4.40, 6.72 A)
&rst
ixpk= 1529, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 93, 94,
&end
#
# 0 AMB 20-2:1531 0 AMB 20-1:1531 4.50 (# 1531:20 Double Ambig)
&rst
ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 286, 373, 368, 369,
igr2= 93, 94, 93, 94, 93, 94,
&end
#
# 23 ASN HD2- 6 ASP HB- 5.50 (# 1532:20 Unique 4.40, 6.72 A)
&rst
ixpk= 1532, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 93, 94,
&end
#
# 0 AMB 20-2:1534 6 ASP HB- 4.50 (# 1534:20 Single Ambig)
&rst
ixpk= 1534, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 101, 286,
igr2= 93, 94,
&end
#
# 72 ALA MB 47 TYR HB+ 4.50 (# 1536:20 Unique 2.00, 4.20 A)
&rst
ixpk= 1536, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1125,1126,1127,
igr2= 754, 755,
&end
#
# 78 ILE HN 47 TYR HB+ 5.50 (# 1537:20 Unique 4.74, 6.02 A)
&rst
ixpk= 1537, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 754, 755,
&end
#
# 78 ILE HN 47 TYR HB- 5.50 (# 1538:20 Unique 4.74, 6.02 A)
&rst
ixpk= 1538, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 754, 755,
&end
#
# 48 CYS HN 47 TYR HB- 4.50 (# 1539:20 Unique 2.46, 3.63 A)
&rst
ixpk= 1539, nxpk= 20, iat= 771, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 754, 755,
&end
#
# 18 VAL MGY 82 LYS HE+ 5.50 (# 1541:20 Unique 2.36, 6.51 A)
&rst
ixpk= 1541, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 296, 297, 298, 300, 301, 302,
igr2=1271,1272,
&end
#
# 78 ILE QG2 82 LYS HE+ 5.50 (# 1542:20 Unique 2.00, 4.77 A)
&rst
ixpk= 1542, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1204,1205,1206,
igr2=1271,1272,
&end
#
# 0 AMB 20-2:1543 0 AMB 20-1:1543 5.50 (# 1543:20 Double Ambig)
&rst
ixpk= 1543, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160,
igr2=1271,1272,1271,1272,
&end
#
# 0 AMB 20-2:1545 0 AMB 20-1:1545 5.50 (# 1545:20 Double Ambig)
&rst
ixpk= 1545, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1227, 61,
igr2=1271,1272,1271,1272,
&end
#
# 18 VAL MGY 82 LYS HE- 4.50 (# 1546:20 Unique 2.36, 6.51 A)
&rst
ixpk= 1546, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 296, 297, 298, 300, 301, 302,
igr2=1271,1272,
&end
#
# 78 ILE QG2 82 LYS HE- 5.50 (# 1547:20 Unique 2.00, 4.77 A)
&rst
ixpk= 1547, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1204,1205,1206,
igr2=1271,1272,
&end
#
# 0 AMB 20-2:1548 82 LYS HE- 5.50 (# 1548:20 Single Ambig)
&rst
ixpk= 1548, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1227, 61,
igr2=1271,1272,
&end
#
# 0 AMB 20-2:1549 0 AMB 20-1:1549 4.50 (# 1549:20 Double Ambig)
&rst
ixpk= 1549, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 844, 845, 105,
igr2= 410, 411, 410, 411,
&end
#
# 7 VAL MGX 26 LEU HB- 5.50 (# 1550:20 Unique 1.98, 5.34 A)
&rst
ixpk= 1550, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 410, 411,
&end
#
# 0 AMB 20-2:1551 26 LEU HB- 4.50 (# 1551:20 Single Ambig)
&rst
ixpk= 1551, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
igr1= 466, 396, 397, 817, 818, 817, 818,
igr2= 410, 411,
&end
#
# 0 AMB 20-2:1552 26 LEU HB- 5.50 (# 1552:20 Single Ambig)
&rst
ixpk= 1552, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 876, 877, 399, 400,
igr2= 410, 411,
&end
#
# 27 LYS HN 26 LEU HB- 5.50 (# 1553:20 Unique 2.68, 3.46 A)
&rst
ixpk= 1553, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 410, 411,
&end
#
# 0 AMB 20-2:1554 75 LEU HB- 5.50 (# 1554:20 Single Ambig)
&rst
ixpk= 1554, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1168,1169,1168,1169,
igr2=1149,1150,
&end
#
# 76 LYS HN 75 LEU HB- 5.50 (# 1555:20 Unique 1.95, 3.27 A)
&rst
ixpk= 1555, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1149,1150,
&end
#
# 45 LYS HD+ 45 LYS HE- 5.50 (# 1556:20 Unique 2.22, 2.69 A)
&rst
ixpk= 1556, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 722, 723,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:1559 0 AMB 20-1:1559 4.50 (# 1559:20 Double Ambig)
&rst
ixpk= 1559, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 644, 645, 644, 645,
igr2= 647, 648, 647, 648,
&end
#
# 0 AMB 20-2:1560 0 AMB 20-1:1560 5.50 (# 1560:20 Double Ambig)
&rst
ixpk= 1560, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1019,1020,1019,1020,
igr2= 647, 648, 647, 648,
&end
#
# 66 TYR HE 0 AMB 20-1:1561 5.50 (# 1561:20 Single Ambig)
&rst
ixpk= 1561, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1034,1039,
igr2= 647, 648, 647, 648,
&end
#
# 0 AMB 20-2:1562 0 AMB 20-1:1562 5.50 (# 1562:20 Double Ambig)
&rst
ixpk= 1562, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2= 912, 913, 912, 913,
&end
#
# 70 GLU HA 58 LYS HE+ 5.50 (# 1563:20 Unique 3.79, 5.40 A)
&rst
ixpk= 1563, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 912, 913,
&end
#
# 0 AMB 20-2:1564 0 AMB 20-1:1564 5.50 (# 1564:20 Double Ambig)
&rst
ixpk= 1564, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
igr1= 415, 416, 417, 419, 420, 421,1082,1083,1084,1086,
1087,1088,
igr2= 438, 439, 438, 439, 912, 913,
&end
#
# 58 LYS HG+ 58 LYS HE- 4.50 (# 1565:20 Unique 2.00, 3.01 A)
&rst
ixpk= 1565, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 906, 907,
igr2= 912, 913,
&end
#
# 0 AMB 20-2:1566 0 AMB 20-1:1566 3.50 (# 1566:20 Double Ambig)
&rst
ixpk= 1566, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
igr1=1174,1175,1174,1175,1174,1175, 909, 910,
igr2=1177,1178,1177,1178,1177,1178, 912, 913,
&end
#
# 70 GLU HA 58 LYS HE- 5.50 (# 1567:20 Unique 3.79, 5.40 A)
&rst
ixpk= 1567, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 912, 913,
&end
#
# 44 VAL MGY 42 ASP HB+ 5.50 (# 1568:20 Unique 3.22, 6.09 A)
&rst
ixpk= 1568, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 702, 703, 704, 706, 707, 708,
igr2= 674, 675,
&end
#
# 44 VAL MGY 42 ASP HB- 5.50 (# 1569:20 Unique 3.22, 6.09 A)
&rst
ixpk= 1569, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 702, 703, 704, 706, 707, 708,
igr2= 674, 675,
&end
#
# 42 ASP HA 42 ASP HB+ 4.50 (# 1572:20 Unique 2.35, 2.77 A)
&rst
ixpk= 1572, nxpk= 20, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 674, 675,
&end
#
# 3 HIS HD2 42 ASP HB+ 5.50 (# 1573:20 Unique 3.57, 5.06 A)
&rst
ixpk= 1573, nxpk= 20, iat= 42, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 674, 675,
&end
#
# 0 AMB 20-2:1574 39 ASP HB- 5.50 (# 1574:20 Single Ambig)
&rst
ixpk= 1574, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 612, 613, 612, 613,
igr2= 626, 627,
&end
#
# 40 LYS HN 39 ASP HB- 5.50 (# 1575:20 Unique 2.23, 3.74 A)
&rst
ixpk= 1575, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 626, 627,
&end
#
# 0 AMB 20-2:1576 0 AMB 20-1:1576 3.50 (# 1576:20 Double Ambig)
&rst
ixpk= 1576, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2= 959, 960, 959, 960,
&end
#
# 66 TYR HB- 61 LEU HB+ 5.50 (# 1577:20 Unique 1.99, 4.53 A)
&rst
ixpk= 1577, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1028,1029,
igr2= 959, 960,
&end
#
# 58 LYS HA 61 LEU HB+ 4.50 (# 1578:20 Unique 2.11, 3.23 A)
&rst
ixpk= 1578, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 959, 960,
&end
#
# 62 SER HN 61 LEU HB+ 4.50 (# 1579:20 Unique 2.28, 3.03 A)
&rst
ixpk= 1579, nxpk= 20, iat= 974, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 959, 960,
&end
#
# 60 ILE HG1+ 61 LEU HB- 5.50 (# 1580:20 Unique 3.69, 4.81 A)
&rst
ixpk= 1580, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 946, 947,
igr2= 959, 960,
&end
#
# 57 ALA MB 61 LEU HB- 5.50 (# 1581:20 Unique 3.99, 6.03 A)
&rst
ixpk= 1581, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 893, 894, 895,
igr2= 959, 960,
&end
#
# 66 TYR HB+ 61 LEU HB- 5.50 (# 1582:20 Unique 1.99, 4.53 A)
&rst
ixpk= 1582, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1028,1029,
igr2= 959, 960,
&end
#
# 58 LYS HA 61 LEU HB- 5.50 (# 1583:20 Unique 2.11, 3.23 A)
&rst
ixpk= 1583, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 959, 960,
&end
#
# 62 SER HN 61 LEU HB- 5.50 (# 1584:20 Unique 2.28, 3.03 A)
&rst
ixpk= 1584, nxpk= 20, iat= 974, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 959, 960,
&end
#
# 0 AMB 20-2:1585 0 AMB 20-1:1585 5.50 (# 1585:20 Double Ambig)
&rst
ixpk= 1585, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 124, 125, 124, 125,
igr2= 775, 776, 775, 776,
&end
#
# 0 AMB 20-2:1586 0 AMB 20-1:1586 4.50 (# 1586:20 Double Ambig)
&rst
ixpk= 1586, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 190, 191, 399, 400,
igr2= 775, 776, 775, 776,
&end
#
# 8 ARG HD- 48 CYS HB+ 5.50 (# 1587:20 Unique 1.99, 5.16 A)
&rst
ixpk= 1587, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 127, 128,
igr2= 775, 776,
&end
#
# 8 ARG HD- 48 CYS HB- 5.50 (# 1588:20 Unique 1.99, 5.16 A)
&rst
ixpk= 1588, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 127, 128,
igr2= 775, 776,
&end
#
# 41 ASN HD2- 41 ASN HB+ 5.50 (# 1589:20 Unique 2.12, 3.22 A)
&rst
ixpk= 1589, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 665, 666,
igr2= 660, 661,
&end
#
# 41 ASN HD2- 41 ASN HB- 5.50 (# 1590:20 Unique 2.12, 3.22 A)
&rst
ixpk= 1590, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 665, 666,
igr2= 660, 661,
&end
#
# 42 ASP HN 41 ASN HB+ 5.50 (# 1591:20 Unique 2.77, 4.01 A)
&rst
ixpk= 1591, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 660, 661,
&end
#
# 42 ASP HN 41 ASN HB- 5.50 (# 1592:20 Unique 2.77, 4.01 A)
&rst
ixpk= 1592, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 660, 661,
&end
#
# 18 VAL MGY 78 ILE HB 5.50 (# 1593:20 Unique 3.87, 6.71 A)
&rst
ixpk= 1593, nxpk= 20, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:1594 78 ILE HB 5.50 (# 1594:20 Single Ambig)
&rst
ixpk= 1594, nxpk= 20, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160,
&end
#
# 82 LYS HE- 78 ILE HB 5.50 (# 1595:20 Unique 2.12, 3.74 A)
&rst
ixpk= 1595, nxpk= 20, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1271,1272,
&end
#
# 75 LEU HA 78 ILE HB 5.50 (# 1596:20 Unique 3.15, 4.44 A)
&rst
ixpk= 1596, nxpk= 20, iat=1147,1202, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 ILE HA 78 ILE HB 4.50 (# 1597:20 Unique 3.02, 3.02 A)
&rst
ixpk= 1597, nxpk= 20, iat=1200,1202, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 5 ILE HA 5 ILE HB 5.50 (# 1599:20 Unique 3.02, 3.02 A)
&rst
ixpk= 1599, nxpk= 20, iat= 72, 74, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 75 LEU HB- 49 ASN HB- 5.50 (# 1600:20 Unique 4.25, 6.37 A)
&rst
ixpk= 1600, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1149,1150,
igr2= 786, 787,
&end
#
# 75 LEU HB- 49 ASN HB+ 5.50 (# 1601:20 Unique 4.25, 6.37 A)
&rst
ixpk= 1601, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1149,1150,
igr2= 786, 787,
&end
#
# 49 ASN HN 49 ASN HB- 4.50 (# 1602:20 Unique 2.10, 2.64 A)
&rst
ixpk= 1602, nxpk= 20, iat= 782, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 786, 787,
&end
#
# 0 AMB 20-2:1603 24 ILE HB 4.50 (# 1603:20 Single Ambig)
&rst
ixpk= 1603, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 346, 347, 348, 468, 469, 470, 472, 473, 474,
&end
#
# 24 ILE HA 24 ILE HB 5.50 (# 1604:20 Unique 3.02, 3.02 A)
&rst
ixpk= 1604, nxpk= 20, iat= 375, 377, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 ASN HA 23 ASN HB+ 4.50 (# 1605:20 Unique 2.34, 2.72 A)
&rst
ixpk= 1605, nxpk= 20, iat= 361, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 363, 364,
&end
#
# 23 ASN HD2- 23 ASN HB+ 5.50 (# 1606:20 Unique 2.23, 3.45 A)
&rst
ixpk= 1606, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 363, 364,
&end
#
# 23 ASN HD2+ 23 ASN HB+ 5.50 (# 1607:20 Unique 2.23, 3.45 A)
&rst
ixpk= 1607, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 363, 364,
&end
#
# 13 TYR HB+ 23 ASN HB- 5.50 (# 1608:20 Unique 3.59, 5.30 A)
&rst
ixpk= 1608, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 207, 208,
igr2= 363, 364,
&end
#
# 23 ASN HD2- 23 ASN HB- 5.50 (# 1609:20 Unique 2.23, 3.45 A)
&rst
ixpk= 1609, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 363, 364,
&end
#
# 23 ASN HD2+ 23 ASN HB- 5.50 (# 1610:20 Unique 2.23, 3.45 A)
&rst
ixpk= 1610, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 363, 364,
&end
#
# 29 VAL MGX 33 ILE HB 3.50 (# 1611:20 Unique 1.99, 3.96 A)
&rst
ixpk= 1611, nxpk= 20, iat= -1, 543, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL HA 33 ILE HB 5.50 (# 1612:20 Unique 3.63, 4.06 A)
&rst
ixpk= 1612, nxpk= 20, iat= 464, 543, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1613 0 AMB 20-1:1613 5.50 (# 1613:20 Double Ambig)
&rst
ixpk= 1613, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.00, r4=11.75,
igr1= 228, 229, 228, 229, 399, 400, 190, 191,
igr2= 207, 208, 207, 208, 207, 208, 207, 208,
&end
#
# 0 AMB 20-2:1614 13 TYR HB- 5.50 (# 1614:20 Single Ambig)
&rst
ixpk= 1614, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 121, 122, 396, 397,
igr2= 207, 208,
&end
#
# 6 ASP HB- 13 TYR HB+ 5.50 (# 1615:20 Unique 3.42, 5.81 A)
&rst
ixpk= 1615, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 93, 94,
igr2= 207, 208,
&end
#
# 6 ASP HB- 13 TYR HB- 5.50 (# 1616:20 Unique 3.42, 5.81 A)
&rst
ixpk= 1616, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 93, 94,
igr2= 207, 208,
&end
#
# 13 TYR HA 13 TYR HB+ 4.50 (# 1617:20 Unique 2.32, 2.71 A)
&rst
ixpk= 1617, nxpk= 20, iat= 205, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 207, 208,
&end
#
# 10 PRO HA 13 TYR HB- 4.50 (# 1618:20 Unique 2.50, 3.07 A)
&rst
ixpk= 1618, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 207, 208,
&end
#
# 12 GLN HN 13 TYR HB- 4.50 (# 1623:20 Unique 3.98, 4.50 A)
&rst
ixpk= 1623, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 207, 208,
&end
#
# 0 AMB 20-2:1624 0 AMB 20-1:1624 4.50 (# 1624:20 Double Ambig)
&rst
ixpk= 1624, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 368, 369, 203,
igr2= 207, 208, 207, 208,
&end
#
# 14 GLN HN 13 TYR HB- 5.50 (# 1625:20 Unique 2.43, 3.30 A)
&rst
ixpk= 1625, nxpk= 20, iat= 224, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 207, 208,
&end
#
# 58 LYS HD- 71 ASN HB+ 5.50 (# 1626:20 Unique 2.00, 3.82 A)
&rst
ixpk= 1626, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 909, 910,
igr2=1111,1112,
&end
#
# 55 GLY HA- 71 ASN HB+ 5.50 (# 1627:20 Unique 2.80, 5.94 A)
&rst
ixpk= 1627, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 867, 868,
igr2=1111,1112,
&end
#
# 71 ASN HD2- 71 ASN HB+ 5.50 (# 1628:20 Unique 2.16, 3.49 A)
&rst
ixpk= 1628, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1116,1117,
igr2=1111,1112,
&end
#
# 58 LYS HD- 71 ASN HB- 4.50 (# 1629:20 Unique 2.00, 3.82 A)
&rst
ixpk= 1629, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 909, 910,
igr2=1111,1112,
&end
#
# 55 GLY HA- 71 ASN HB- 4.50 (# 1630:20 Unique 2.80, 5.94 A)
&rst
ixpk= 1630, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 867, 868,
igr2=1111,1112,
&end
#
# 71 ASN HD2- 71 ASN HB- 5.50 (# 1631:20 Unique 2.16, 3.49 A)
&rst
ixpk= 1631, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1116,1117,
igr2=1111,1112,
&end
#
# 71 ASN HD2+ 71 ASN HB- 5.50 (# 1632:20 Unique 2.16, 3.49 A)
&rst
ixpk= 1632, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1116,1117,
igr2=1111,1112,
&end
#
# 71 ASN HN 71 ASN HB- 4.50 (# 1633:20 Unique 2.17, 2.61 A)
&rst
ixpk= 1633, nxpk= 20, iat=1107, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1111,1112,
&end
#
# 17 HIS HN 16 GLU HG+ 4.50 (# 1634:20 Unique 2.57, 4.21 A)
&rst
ixpk= 1634, nxpk= 20, iat= 273, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 265, 266,
&end
#
# 17 HIS HN 16 GLU HG- 4.50 (# 1635:20 Unique 2.57, 4.21 A)
&rst
ixpk= 1635, nxpk= 20, iat= 273, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 265, 266,
&end
#
# 75 LEU HG 16 GLU HG+ 5.50 (# 1636:20 Unique 2.11, 4.14 A)
&rst
ixpk= 1636, nxpk= 20, iat=1152, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 265, 266,
&end
#
# 75 LEU HG 16 GLU HG- 4.50 (# 1637:20 Unique 2.11, 4.14 A)
&rst
ixpk= 1637, nxpk= 20, iat=1152, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:1638 0 AMB 20-1:1638 5.50 (# 1638:20 Double Ambig)
&rst
ixpk= 1638, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.51, r4=12.26,
igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160, 719, 720,
igr2= 265, 266, 265, 266, 21, 22,
&end
#
# 0 AMB 20-2:1639 16 GLU HG- 5.50 (# 1639:20 Single Ambig)
&rst
ixpk= 1639, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160,
igr2= 265, 266,
&end
#
# 9 VAL MGX 0 AMB 20-1:1640 5.50 (# 1640:20 Single Ambig)
&rst
ixpk= 1640, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 147, 148, 149, 151, 152, 153,
igr2= 178, 179, 178, 179,
&end
#
# 9 VAL MGX 0 AMB 20-1:1641 5.50 (# 1641:20 Single Ambig)
&rst
ixpk= 1641, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 147, 148, 149, 151, 152, 153,
igr2= 178, 179, 178, 179,
&end
#
# 0 AMB 20-2:1642 0 AMB 20-1:1642 4.50 (# 1642:20 Double Ambig)
&rst
ixpk= 1642, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 171,1121,
igr2= 178, 179, 178, 179,1111,1112,
&end
#
# 11 GLU HN 0 AMB 20-1:1643 4.50 (# 1643:20 Single Ambig)
&rst
ixpk= 1643, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 178, 179, 178, 179,
&end
#
# 31 GLU HN 0 AMB 20-1:1644 4.50 (# 1644:20 Single Ambig)
&rst
ixpk= 1644, nxpk= 20, iat= 500, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 507, 508, 507, 508,
&end
#
# 31 GLU HN 0 AMB 20-1:1645 4.50 (# 1645:20 Single Ambig)
&rst
ixpk= 1645, nxpk= 20, iat= 500, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 507, 508, 507, 508,
&end
#
# 4 TRP HE1 0 AMB 20-1:1646 5.50 (# 1646:20 Single Ambig)
&rst
ixpk= 1646, nxpk= 20, iat= 56, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 21, 22, 21, 22,
&end
#
# 4 TRP HE1 0 AMB 20-1:1647 5.50 (# 1647:20 Single Ambig)
&rst
ixpk= 1647, nxpk= 20, iat= 56, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 21, 22, 21, 22,
&end
#
# 2 GLU HA 0 AMB 20-1:1648 5.50 (# 1648:20 Single Ambig)
&rst
ixpk= 1648, nxpk= 20, iat= 16, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 21, 22, 21, 22,
&end
#
# 2 GLU HA 0 AMB 20-1:1649 4.50 (# 1649:20 Single Ambig)
&rst
ixpk= 1649, nxpk= 20, iat= 16, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 21, 22, 21, 22,
&end
#
# 43 THR HB 0 AMB 20-1:1650 4.50 (# 1650:20 Single Ambig)
&rst
ixpk= 1650, nxpk= 20, iat= 686, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 21, 22, 21, 22,
&end
#
# 43 THR HB 0 AMB 20-1:1651 5.50 (# 1651:20 Single Ambig)
&rst
ixpk= 1651, nxpk= 20, iat= 686, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 21, 22, 21, 22,
&end
#
# 43 THR MG2 0 AMB 20-1:1652 5.50 (# 1652:20 Single Ambig)
&rst
ixpk= 1652, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 688, 689, 690,
igr2= 21, 22, 21, 22,
&end
#
# 43 THR MG2 0 AMB 20-1:1653 5.50 (# 1653:20 Single Ambig)
&rst
ixpk= 1653, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 688, 689, 690,
igr2= 21, 22, 21, 22,
&end
#
# 24 ILE QG2 28 GLU HG- 5.50 (# 1654:20 Unique 4.11, 6.95 A)
&rst
ixpk= 1654, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 379, 380, 381,
igr2= 454, 455,
&end
#
# 0 AMB 20-2:1655 28 GLU HG- 4.50 (# 1655:20 Single Ambig)
&rst
ixpk= 1655, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 432, 433, 432, 433,
igr2= 454, 455,
&end
#
# 0 AMB 20-2:1656 28 GLU HG- 3.50 (# 1656:20 Single Ambig)
&rst
ixpk= 1656, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 451, 452, 429, 430,
igr2= 454, 455,
&end
#
# 32 ARG HD- 28 GLU HG- 5.50 (# 1657:20 Unique 3.24, 5.73 A)
&rst
ixpk= 1657, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 525, 526,
igr2= 454, 455,
&end
#
# 24 ILE QG2 28 GLU HG+ 5.50 (# 1658:20 Unique 4.11, 6.95 A)
&rst
ixpk= 1658, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 379, 380, 381,
igr2= 454, 455,
&end
#
# 0 AMB 20-2:1659 0 AMB 20-1:1659 5.50 (# 1659:20 Double Ambig)
&rst
ixpk= 1659, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 432, 433, 432, 433,
igr2= 454, 455, 454, 455,
&end
#
# 0 AMB 20-2:1660 0 AMB 20-1:1660 5.50 (# 1660:20 Double Ambig)
&rst
ixpk= 1660, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 525, 526, 525, 526,
igr2= 454, 455, 454, 455,
&end
#
# 25 PRO HD+ 28 GLU HG+ 5.50 (# 1661:20 Unique 2.06, 4.37 A)
&rst
ixpk= 1661, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 393, 394,
igr2= 454, 455,
&end
#
# 0 AMB 20-2:1662 0 AMB 20-1:1662 5.50 (# 1662:20 Double Ambig)
&rst
ixpk= 1662, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
969, 970,
igr2=1028,1029,1028,1029,
&end
#
# 61 LEU HB+ 66 TYR HB+ 4.50 (# 1663:20 Unique 1.99, 4.53 A)
&rst
ixpk= 1663, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 959, 960,
igr2=1028,1029,
&end
#
# 67 THR HN 66 TYR HB+ 5.50 (# 1665:20 Unique 1.99, 3.58 A)
&rst
ixpk= 1665, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1028,1029,
&end
#
# 63 GLU HN 63 GLU HG- 4.50 (# 1666:20 Unique 3.08, 4.22 A)
&rst
ixpk= 1666, nxpk= 20, iat= 985, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 992, 993,
&end
#
# 63 GLU HN 63 GLU HG+ 4.50 (# 1667:20 Unique 3.08, 4.22 A)
&rst
ixpk= 1667, nxpk= 20, iat= 985, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 992, 993,
&end
#
# 60 ILE HA 0 AMB 20-1:1668 5.50 (# 1668:20 Single Ambig)
&rst
ixpk= 1668, nxpk= 20, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 928, 929, 992, 993,
&end
#
# 60 ILE HA 0 AMB 20-1:1669 5.50 (# 1669:20 Single Ambig)
&rst
ixpk= 1669, nxpk= 20, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 928, 929, 992, 993,
&end
#
# 0 AMB 20-2:1670 66 TYR HB- 5.50 (# 1670:20 Single Ambig)
&rst
ixpk= 1670, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
969, 970,
igr2=1028,1029,
&end
#
# 61 LEU HB+ 66 TYR HB- 4.50 (# 1671:20 Unique 1.99, 4.53 A)
&rst
ixpk= 1671, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 959, 960,
igr2=1028,1029,
&end
#
# 0 AMB 20-2:1672 66 TYR HB- 5.50 (# 1672:20 Single Ambig)
&rst
ixpk= 1672, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 957,1047, 978, 979,
igr2=1028,1029,
&end
#
# 68 HIS HD2 66 TYR HB- 4.50 (# 1673:20 Unique 3.79, 5.24 A)
&rst
ixpk= 1673, nxpk= 20, iat=1072, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1028,1029,
&end
#
# 82 LYS HN 82 LYS HB+ 4.50 (# 1675:20 Unique 2.46, 3.52 A)
&rst
ixpk= 1675, nxpk= 20, iat=1258, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1262,1263,
&end
#
# 83 VAL HN 82 LYS HB+ 4.50 (# 1676:20 Unique 1.95, 2.61 A)
&rst
ixpk= 1676, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1262,1263,
&end
#
# 83 VAL HN 82 LYS HB- 5.50 (# 1677:20 Unique 1.95, 2.61 A)
&rst
ixpk= 1677, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1262,1263,
&end
#
# 71 ASN HN 0 AMB 20-1:1678 4.50 (# 1678:20 Single Ambig)
&rst
ixpk= 1678, nxpk= 20, iat=1107, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1099,1100,1099,1100,
&end
#
# 0 AMB 20-2:1679 0 AMB 20-1:1679 5.50 (# 1679:20 Double Ambig)
&rst
ixpk= 1679, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1227, 61,
igr2=1231,1232,1231,1232,
&end
#
# 81 PRO HD+ 80 MET HB+ 5.50 (# 1680:20 Unique 1.96, 3.42 A)
&rst
ixpk= 1680, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1245,1246,
igr2=1231,1232,
&end
#
# 78 ILE QG2 80 MET HB+ 5.50 (# 1681:20 Unique 2.03, 3.86 A)
&rst
ixpk= 1681, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1204,1205,1206,
igr2=1231,1232,
&end
#
# 78 ILE QG2 80 MET HB- 4.50 (# 1682:20 Unique 2.03, 3.86 A)
&rst
ixpk= 1682, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1204,1205,1206,
igr2=1231,1232,
&end
#
# 0 AMB 20-2:1683 80 MET HB- 4.50 (# 1683:20 Single Ambig)
&rst
ixpk= 1683, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1234,1235,1268,1269,
igr2=1231,1232,
&end
#
# 0 AMB 20-2:1684 0 AMB 20-1:1684 3.50 (# 1684:20 Double Ambig)
&rst
ixpk= 1684, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1234,1235,1268,1269,
igr2=1231,1232,1231,1232,
&end
#
# 80 MET HG+ 80 MET HB- 4.50 (# 1685:20 Unique 2.21, 2.70 A)
&rst
ixpk= 1685, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1234,1235,
igr2=1231,1232,
&end
#
# 81 PRO HD- 80 MET HB- 5.50 (# 1686:20 Unique 1.96, 3.42 A)
&rst
ixpk= 1686, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1245,1246,
igr2=1231,1232,
&end
#
# 80 MET HA 80 MET HB- 5.50 (# 1687:20 Unique 2.26, 2.75 A)
&rst
ixpk= 1687, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1231,1232,
&end
#
# 0 AMB 20-2:1688 80 MET HB- 5.50 (# 1688:20 Single Ambig)
&rst
ixpk= 1688, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1227, 61,
igr2=1231,1232,
&end
#
# 26 LEU MDX 53 GLN HG+ 5.50 (# 1689:20 Unique 2.24, 5.42 A)
&rst
ixpk= 1689, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 844, 845,
&end
#
# 53 GLN HE2+ 53 GLN HG+ 5.50 (# 1690:20 Unique 2.14, 3.41 A)
&rst
ixpk= 1690, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 849, 850,
igr2= 844, 845,
&end
#
# 0 AMB 20-2:1691 53 GLN HG- 4.50 (# 1691:20 Single Ambig)
&rst
ixpk= 1691, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 399, 400, 876, 877,
igr2= 844, 845,
&end
#
# 53 GLN HE2+ 53 GLN HG- 4.50 (# 1692:20 Unique 2.14, 3.41 A)
&rst
ixpk= 1692, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 849, 850,
igr2= 844, 845,
&end
#
# 53 GLN HE2- 53 GLN HG- 5.50 (# 1693:20 Unique 2.14, 3.41 A)
&rst
ixpk= 1693, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 849, 850,
igr2= 844, 845,
&end
#
# 53 GLN HN 53 GLN HG- 4.50 (# 1694:20 Unique 2.68, 3.79 A)
&rst
ixpk= 1694, nxpk= 20, iat= 837, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 844, 845,
&end
#
# 61 LEU HA 64 MET HB+ 5.50 (# 1695:20 Unique 2.24, 3.68 A)
&rst
ixpk= 1695, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1004,1005,
&end
#
# 61 LEU HA 64 MET HB- 4.50 (# 1696:20 Unique 2.24, 3.68 A)
&rst
ixpk= 1696, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1004,1005,
&end
#
# 64 MET HN 64 MET HB+ 4.50 (# 1697:20 Unique 2.07, 2.83 A)
&rst
ixpk= 1697, nxpk= 20, iat=1000, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1004,1005,
&end
#
# 66 TYR HD 64 MET HB+ 5.50 (# 1698:20 Unique 2.00, 4.90 A)
&rst
ixpk= 1698, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1032,1041,
igr2=1004,1005,
&end
#
# 13 TYR HN 12 GLN HG- 4.50 (# 1699:20 Unique 4.38, 4.90 A)
&rst
ixpk= 1699, nxpk= 20, iat= 203, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 193, 194,
&end
#
# 85 GLY HN 84 LYS HB- 5.50 (# 1700:20 Unique 3.08, 4.03 A)
&rst
ixpk= 1700, nxpk= 20, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1300,1301,
&end
#
# 12 GLN HN 12 GLN HG+ 4.50 (# 1701:20 Unique 2.48, 3.44 A)
&rst
ixpk= 1701, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 193, 194,
&end
#
# 12 GLN HE2+ 12 GLN HG+ 4.50 (# 1702:20 Unique 2.12, 3.29 A)
&rst
ixpk= 1702, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 198, 199,
igr2= 193, 194,
&end
#
# 12 GLN HE2- 12 GLN HG+ 5.50 (# 1703:20 Unique 2.12, 3.29 A)
&rst
ixpk= 1703, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 198, 199,
igr2= 193, 194,
&end
#
# 26 LEU MDY 0 AMB 20-1:1704 4.50 (# 1704:20 Single Ambig)
&rst
ixpk= 1704, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 879, 880, 879, 880,
&end
#
# 85 GLY HN 84 LYS HB+ 4.50 (# 1705:20 Unique 3.08, 4.03 A)
&rst
ixpk= 1705, nxpk= 20, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1300,1301,
&end
#
# 56 GLN HE2- 0 AMB 20-1:1706 5.50 (# 1706:20 Single Ambig)
&rst
ixpk= 1706, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 884, 885,
igr2= 879, 880, 879, 880,
&end
#
# 57 ALA HN 0 AMB 20-1:1707 5.50 (# 1707:20 Single Ambig)
&rst
ixpk= 1707, nxpk= 20, iat= 889, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 879, 880, 879, 880,
&end
#
# 0 AMB 20-2:1708 44 VAL HB 5.50 (# 1708:20 Single Ambig)
&rst
ixpk= 1708, nxpk= 20, iat= -1, 700, r1= 0.00, r2= 1.80, r3= 8.20, r4= 8.95,
igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554, 719,
720,
&end
#
# 44 VAL HA 44 VAL HB 4.50 (# 1709:20 Unique 3.02, 3.02 A)
&rst
ixpk= 1709, nxpk= 20, iat= 698, 700, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1710 46 VAL HB 4.50 (# 1710:20 Single Ambig)
&rst
ixpk= 1710, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 893, 894, 895,1125,1126,1127,
&end
#
# 54 SER HB- 46 VAL HB 5.50 (# 1711:20 Unique 2.03, 3.57 A)
&rst
ixpk= 1711, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 858, 859,
&end
#
# 15 GLN HN 15 GLN HG- 4.50 (# 1712:20 Unique 2.41, 3.57 A)
&rst
ixpk= 1712, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 248, 249,
&end
#
# 16 GLU HN 15 GLN HG- 5.50 (# 1713:20 Unique 2.33, 4.87 A)
&rst
ixpk= 1713, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 248, 249,
&end
#
# 15 GLN HA 15 GLN HG+ 4.50 (# 1714:20 Unique 2.03, 3.07 A)
&rst
ixpk= 1714, nxpk= 20, iat= 243, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 248, 249,
&end
#
# 15 GLN HE2+ 15 GLN HG+ 5.50 (# 1715:20 Unique 2.12, 3.25 A)
&rst
ixpk= 1715, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 253, 254,
igr2= 248, 249,
&end
#
# 11 GLU HA 0 AMB 20-1:1716 4.50 (# 1716:20 Single Ambig)
&rst
ixpk= 1716, nxpk= 20, iat= 173, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 231, 232, 231, 232,
&end
#
# 0 AMB 20-2:1717 0 AMB 20-1:1717 5.50 (# 1717:20 Double Ambig)
&rst
ixpk= 1717, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 236, 237, 211, 220,
igr2= 231, 232, 231, 232, 231, 232,
&end
#
# 0 AMB 20-2:1718 0 AMB 20-1:1718 5.50 (# 1718:20 Double Ambig)
&rst
ixpk= 1718, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 236, 237, 236, 237,
igr2= 231, 232, 231, 232,
&end
#
# 0 AMB 20-2:1719 70 GLU HB- 4.50 (# 1719:20 Single Ambig)
&rst
ixpk= 1719, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 719, 720, 722, 723,
igr2=1096,1097,
&end
#
# 0 AMB 20-2:1720 0 AMB 20-1:1720 4.50 (# 1720:20 Double Ambig)
&rst
ixpk= 1720, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 719, 720, 722, 723,
igr2=1096,1097,1096,1097,
&end
#
# 45 LYS HA 70 GLU HB- 5.50 (# 1721:20 Unique 2.45, 4.01 A)
&rst
ixpk= 1721, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1096,1097,
&end
#
# 45 LYS HA 70 GLU HB+ 5.50 (# 1722:20 Unique 2.45, 4.01 A)
&rst
ixpk= 1722, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1096,1097,
&end
#
# 45 LYS HD+ 70 GLU HB- 5.50 (# 1723:20 Unique 2.31, 5.83 A)
&rst
ixpk= 1723, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 722, 723,
igr2=1096,1097,
&end
#
# 83 VAL MGX 19 GLN HG+ 5.50 (# 1724:20 Unique 2.00, 4.40 A)
&rst
ixpk= 1724, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1286,1287,1288,1290,1291,1292,
igr2= 313, 314,
&end
#
# 83 VAL MGX 19 GLN HG- 4.50 (# 1725:20 Unique 2.00, 4.40 A)
&rst
ixpk= 1725, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1286,1287,1288,1290,1291,1292,
igr2= 313, 314,
&end
#
# 19 GLN HB- 19 GLN HG- 3.50 (# 1726:20 Unique 2.21, 2.67 A)
&rst
ixpk= 1726, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 310, 311,
igr2= 313, 314,
&end
#
# 19 GLN HB+ 19 GLN HG- 4.50 (# 1727:20 Unique 2.21, 2.67 A)
&rst
ixpk= 1727, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 310, 311,
igr2= 313, 314,
&end
#
# 19 GLN HA 19 GLN HG- 4.50 (# 1728:20 Unique 2.06, 2.88 A)
&rst
ixpk= 1728, nxpk= 20, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 313, 314,
&end
#
# 19 GLN HE2+ 19 GLN HG+ 5.50 (# 1729:20 Unique 2.12, 3.25 A)
&rst
ixpk= 1729, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 318, 319,
igr2= 313, 314,
&end
#
# 19 GLN HE2+ 19 GLN HG- 5.50 (# 1730:20 Unique 2.12, 3.25 A)
&rst
ixpk= 1730, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 318, 319,
igr2= 313, 314,
&end
#
# 19 GLN HN 19 GLN HG+ 5.50 (# 1731:20 Unique 2.09, 4.17 A)
&rst
ixpk= 1731, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 313, 314,
&end
#
# 19 GLN HN 19 GLN HG- 5.50 (# 1732:20 Unique 2.09, 4.17 A)
&rst
ixpk= 1732, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 313, 314,
&end
#
# 20 GLY HN 19 GLN HG+ 5.50 (# 1733:20 Unique 2.28, 3.63 A)
&rst
ixpk= 1733, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 313, 314,
&end
#
# 20 GLY HN 19 GLN HG- 5.50 (# 1734:20 Unique 2.28, 3.63 A)
&rst
ixpk= 1734, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 313, 314,
&end
#
# 0 AMB 20-2:1735 0 AMB 20-1:1735 5.50 (# 1735:20 Double Ambig)
&rst
ixpk= 1735, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 719, 720, 964, 965, 966, 968, 969, 970,
igr2=1096,1097,1080,
&end
#
# 37 VAL MGX 3 HIS HB+ 5.50 (# 1736:20 Unique 4.63, 7.73 A)
&rst
ixpk= 1736, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 33, 34,
&end
#
# 37 VAL MGX 3 HIS HB- 5.50 (# 1737:20 Unique 4.63, 7.73 A)
&rst
ixpk= 1737, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 33, 34,
&end
#
# 5 ILE QD1 3 HIS HB+ 5.50 (# 1738:20 Unique 2.00, 3.94 A)
&rst
ixpk= 1738, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 83, 84, 85,
igr2= 33, 34,
&end
#
# 5 ILE QD1 3 HIS HB- 5.50 (# 1739:20 Unique 2.00, 3.94 A)
&rst
ixpk= 1739, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 83, 84, 85,
igr2= 33, 34,
&end
#
# 22 ILE QD1 3 HIS HB+ 5.50 (# 1740:20 Unique 2.74, 6.79 A)
&rst
ixpk= 1740, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 353, 354, 355,
igr2= 33, 34,
&end
#
# 22 ILE QD1 3 HIS HB- 5.50 (# 1741:20 Unique 2.74, 6.79 A)
&rst
ixpk= 1741, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 353, 354, 355,
igr2= 33, 34,
&end
#
# 3 HIS HA 3 HIS HB+ 4.50 (# 1743:20 Unique 2.37, 2.70 A)
&rst
ixpk= 1743, nxpk= 20, iat= 31, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 33, 34,
&end
#
# 3 HIS HA 3 HIS HB- 5.50 (# 1744:20 Unique 2.37, 2.70 A)
&rst
ixpk= 1744, nxpk= 20, iat= 31, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 33, 34,
&end
#
# 3 HIS HN 3 HIS HB+ 5.50 (# 1745:20 Unique 2.61, 3.27 A)
&rst
ixpk= 1745, nxpk= 20, iat= 29, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 33, 34,
&end
#
# 3 HIS HN 3 HIS HB- 5.50 (# 1746:20 Unique 2.61, 3.27 A)
&rst
ixpk= 1746, nxpk= 20, iat= 29, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 33, 34,
&end
#
# 4 TRP HN 3 HIS HB+ 5.50 (# 1747:20 Unique 2.62, 3.41 A)
&rst
ixpk= 1747, nxpk= 20, iat= 46, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 33, 34,
&end
#
# 18 VAL HA 18 VAL HB 4.50 (# 1748:20 Unique 2.54, 3.00 A)
&rst
ixpk= 1748, nxpk= 20, iat= 292, 294, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 PRO HD+ 25 PRO HB- 5.50 (# 1749:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1749, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 393, 394,
igr2= 399, 400,
&end
#
# 0 AMB 20-2:1750 0 AMB 20-1:1750 4.50 (# 1750:20 Double Ambig)
&rst
ixpk= 1750, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 50, 51, 393, 394,
igr2= 294, 399, 400,
&end
#
# 0 AMB 20-2:1751 0 AMB 20-1:1751 5.50 (# 1751:20 Double Ambig)
&rst
ixpk= 1751, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 275, 361,
igr2= 294, 399, 400,
&end
#
# 0 AMB 20-2:1753 0 AMB 20-1:1753 5.50 (# 1753:20 Double Ambig)
&rst
ixpk= 1753, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 447, 283,
igr2= 399, 400, 294,
&end
#
# 27 LYS HN 25 PRO HB- 5.50 (# 1754:20 Unique 2.21, 3.29 A)
&rst
ixpk= 1754, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 399, 400,
&end
#
# 0 AMB 20-2:1755 0 AMB 20-1:1755 5.50 (# 1755:20 Double Ambig)
&rst
ixpk= 1755, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
igr2=1234,1235,1234,1235,
&end
#
# 80 MET HA 80 MET HG+ 4.50 (# 1756:20 Unique 2.09, 2.92 A)
&rst
ixpk= 1756, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1234,1235,
&end
#
# 80 MET HN 80 MET HG+ 5.50 (# 1757:20 Unique 2.34, 3.53 A)
&rst
ixpk= 1757, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1234,1235,
&end
#
# 78 ILE QG2 80 MET HG- 4.50 (# 1758:20 Unique 2.01, 4.68 A)
&rst
ixpk= 1758, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1204,1205,1206,
igr2=1234,1235,
&end
#
# 80 MET HA 80 MET HG- 5.50 (# 1759:20 Unique 2.09, 2.92 A)
&rst
ixpk= 1759, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1234,1235,
&end
#
# 80 MET HN 80 MET HG- 5.50 (# 1760:20 Unique 2.34, 3.53 A)
&rst
ixpk= 1760, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1234,1235,
&end
#
# 9 VAL MGY 25 PRO HB+ 5.50 (# 1761:20 Unique 3.64, 5.80 A)
&rst
ixpk= 1761, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 147, 148, 149, 151, 152, 153,
igr2= 399, 400,
&end
#
# 25 PRO HD- 25 PRO HB+ 5.50 (# 1762:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1762, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 393, 394,
igr2= 399, 400,
&end
#
# 25 PRO HD+ 25 PRO HB+ 5.50 (# 1763:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1763, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 393, 394,
igr2= 399, 400,
&end
#
# 9 VAL HA 25 PRO HB+ 5.50 (# 1764:20 Unique 2.07, 2.75 A)
&rst
ixpk= 1764, nxpk= 20, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 399, 400,
&end
#
# 26 LEU HN 25 PRO HB+ 5.50 (# 1765:20 Unique 2.42, 3.22 A)
&rst
ixpk= 1765, nxpk= 20, iat= 406, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 399, 400,
&end
#
# 27 LYS HN 25 PRO HB+ 5.50 (# 1766:20 Unique 2.21, 3.29 A)
&rst
ixpk= 1766, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 399, 400,
&end
#
# 28 GLU HN 25 PRO HB+ 5.50 (# 1767:20 Unique 3.18, 4.14 A)
&rst
ixpk= 1767, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 399, 400,
&end
#
# 0 AMB 20-2:1768 32 ARG HB- 4.50 (# 1768:20 Single Ambig)
&rst
ixpk= 1768, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 525, 526, 525, 526,
igr2= 519, 520,
&end
#
# 29 VAL HA 32 ARG HB+ 5.50 (# 1769:20 Unique 2.00, 3.03 A)
&rst
ixpk= 1769, nxpk= 20, iat= 464, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 519, 520,
&end
#
# 29 VAL HA 32 ARG HB- 5.50 (# 1770:20 Unique 2.00, 3.03 A)
&rst
ixpk= 1770, nxpk= 20, iat= 464, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 519, 520,
&end
#
# 0 AMB 20-2:1771 0 AMB 20-1:1771 4.50 (# 1771:20 Double Ambig)
&rst
ixpk= 1771, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 353, 354, 355, 346, 347, 348,
igr2= 33, 34, 33, 34,
&end
#
# 61 LEU HA 64 MET HG+ 5.50 (# 1772:20 Unique 3.16, 4.71 A)
&rst
ixpk= 1772, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1007,1008,
&end
#
# 61 LEU HA 64 MET HG- 5.50 (# 1773:20 Unique 3.16, 4.71 A)
&rst
ixpk= 1773, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1007,1008,
&end
#
# 64 MET HN 64 MET HG- 5.50 (# 1774:20 Unique 2.19, 3.65 A)
&rst
ixpk= 1774, nxpk= 20, iat=1000, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1007,1008,
&end
#
# 11 GLU HN 10 PRO HB+ 5.50 (# 1775:20 Unique 3.78, 4.11 A)
&rst
ixpk= 1775, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 164, 165,
&end
#
# 0 AMB 20-2:1776 0 AMB 20-1:1776 5.50 (# 1776:20 Double Ambig)
&rst
ixpk= 1776, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.42, r4=12.17,
igr1= 688, 689, 690, 147, 148, 149, 151, 152, 153, 692,
igr2= 18, 19, 18, 19, 429, 430, 18, 19,
&end
#
# 4 TRP HA 0 AMB 20-1:1777 4.50 (# 1777:20 Single Ambig)
&rst
ixpk= 1777, nxpk= 20, iat= 48, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 716, 717, 716, 717,
&end
#
# 46 VAL HN 0 AMB 20-1:1778 5.50 (# 1778:20 Single Ambig)
&rst
ixpk= 1778, nxpk= 20, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 716, 717, 716, 717,
&end
#
# 0 AMB 20-2:1779 0 AMB 20-1:1779 5.50 (# 1779:20 Double Ambig)
&rst
ixpk= 1779, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 70,1121,
igr2= 716, 717, 716, 717, 716, 717,
&end
#
# 38 PRO HD+ 38 PRO HB+ 5.50 (# 1780:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1780, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 609, 610,
igr2= 615, 616,
&end
#
# 0 AMB 20-2:1781 0 AMB 20-1:1781 5.50 (# 1781:20 Double Ambig)
&rst
ixpk= 1781, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 560, 594,
igr2= 615, 616, 615, 616,
&end
#
# 8 ARG HD- 8 ARG HB+ 5.50 (# 1782:20 Unique 2.12, 3.24 A)
&rst
ixpk= 1782, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 127, 128,
igr2= 121, 122,
&end
#
# 8 ARG HD+ 8 ARG HB+ 5.50 (# 1783:20 Unique 2.12, 3.24 A)
&rst
ixpk= 1783, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 127, 128,
igr2= 121, 122,
&end
#
# 8 ARG HN 8 ARG HB+ 5.50 (# 1784:20 Unique 2.17, 2.89 A)
&rst
ixpk= 1784, nxpk= 20, iat= 117, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 121, 122,
&end
#
# 8 ARG HE 8 ARG HB+ 5.50 (# 1785:20 Unique 1.96, 2.90 A)
&rst
ixpk= 1785, nxpk= 20, iat= 130, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 121, 122,
&end
#
# 8 ARG HA 8 ARG HB- 5.50 (# 1786:20 Unique 2.34, 2.54 A)
&rst
ixpk= 1786, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 121, 122,
&end
#
# 8 ARG HN 8 ARG HB- 4.50 (# 1787:20 Unique 2.17, 2.89 A)
&rst
ixpk= 1787, nxpk= 20, iat= 117, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 121, 122,
&end
#
# 9 VAL HN 8 ARG HB- 5.50 (# 1788:20 Unique 2.45, 3.46 A)
&rst
ixpk= 1788, nxpk= 20, iat= 141, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 121, 122,
&end
#
# 66 TYR HE 37 VAL HB 4.50 (# 1789:20 Unique 2.73, 4.57 A)
&rst
ixpk= 1789, nxpk= 20, iat= -1, 596, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1034,1039,
&end
#
# 39 ASP HN 0 AMB 20-1:1790 5.50 (# 1790:20 Single Ambig)
&rst
ixpk= 1790, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 615, 616, 596,
&end
#
# 26 LEU MDY 27 LYS HB+ 5.50 (# 1791:20 Unique 3.67, 7.03 A)
&rst
ixpk= 1791, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 429, 430,
&end
#
# 67 THR HN 40 LYS HB+ 5.50 (# 1792:20 Unique 2.71, 4.24 A)
&rst
ixpk= 1792, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 638, 639,
&end
#
# 29 VAL MGY 30 LYS HB- 4.50 (# 1793:20 Unique 3.37, 6.06 A)
&rst
ixpk= 1793, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 468, 469, 470, 472, 473, 474,
igr2= 482, 483,
&end
#
# 31 GLU HN 30 LYS HB- 5.50 (# 1794:20 Unique 2.47, 3.30 A)
&rst
ixpk= 1794, nxpk= 20, iat= 500, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 482, 483,
&end
#
# 82 LYS HN 81 PRO HB- 5.50 (# 1795:20 Unique 2.07, 3.26 A)
&rst
ixpk= 1795, nxpk= 20, iat=1258, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1251,1252,
&end
#
# 40 LYS HG- 40 LYS HB- 4.50 (# 1796:20 Unique 2.21, 2.71 A)
&rst
ixpk= 1796, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 641, 642,
igr2= 638, 639,
&end
#
# 40 LYS HA 40 LYS HB- 4.50 (# 1797:20 Unique 2.35, 2.54 A)
&rst
ixpk= 1797, nxpk= 20, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 638, 639,
&end
#
# 66 TYR HA 40 LYS HB- 5.50 (# 1798:20 Unique 2.00, 3.07 A)
&rst
ixpk= 1798, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 638, 639,
&end
#
# 0 AMB 20-2:1799 17 HIS HB- 5.50 (# 1799:20 Single Ambig)
&rst
ixpk= 1799, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.21, r4= 9.96,
igr1= 334, 335, 336, 265, 266, 262, 263, 124, 125, 124,
125,
igr2= 277, 278,
&end
#
# 0 AMB 20-2:1800 0 AMB 20-1:1800 5.50 (# 1800:20 Double Ambig)
&rst
ixpk= 1800, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.04, r4=12.79,
igr1= 334, 335, 336, 265, 266, 262, 263, 124, 125, 124,
125,
igr2= 277, 278, 277, 278, 277, 278, 277, 278, 277, 278,
&end
#
# 13 TYR HA 17 HIS HB- 5.50 (# 1801:20 Unique 2.95, 4.37 A)
&rst
ixpk= 1801, nxpk= 20, iat= 205, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 277, 278,
&end
#
# 13 TYR HA 17 HIS HB+ 5.50 (# 1802:20 Unique 2.95, 4.37 A)
&rst
ixpk= 1802, nxpk= 20, iat= 205, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 277, 278,
&end
#
# 17 HIS HD2 17 HIS HB- 5.50 (# 1803:20 Unique 2.69, 3.16 A)
&rst
ixpk= 1803, nxpk= 20, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 277, 278,
&end
#
# 17 HIS HD2 17 HIS HB+ 5.50 (# 1804:20 Unique 2.69, 3.16 A)
&rst
ixpk= 1804, nxpk= 20, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 277, 278,
&end
#
# 18 VAL HN 17 HIS HB+ 5.50 (# 1805:20 Unique 2.02, 3.32 A)
&rst
ixpk= 1805, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 277, 278,
&end
#
# 82 LYS HN 81 PRO HB+ 4.50 (# 1806:20 Unique 2.07, 3.26 A)
&rst
ixpk= 1806, nxpk= 20, iat=1258, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1251,1252,
&end
#
# 81 PRO HD- 81 PRO HB+ 5.50 (# 1807:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1807, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1245,1246,
igr2=1251,1252,
&end
#
# 0 AMB 20-2:1808 0 AMB 20-1:1808 5.50 (# 1808:20 Double Ambig)
&rst
ixpk= 1808, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.42, r4=12.17,
igr1= 491, 492, 491, 492,1177,1178,1177,1178, 438, 439,
igr2= 482, 483, 482, 483,1168,1169, 429, 430,
&end
#
# 16 GLU HA 16 GLU HB- 4.50 (# 1809:20 Unique 2.35, 2.66 A)
&rst
ixpk= 1809, nxpk= 20, iat= 260, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 262, 263,
&end
#
# 81 PRO HD+ 81 PRO HB+ 4.50 (# 1810:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1810, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1245,1246,
igr2=1251,1252,
&end
#
# 81 PRO HD- 81 PRO HB- 4.50 (# 1812:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1812, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1245,1246,
igr2=1251,1252,
&end
#
# 59 GLU HN 58 LYS HB- 5.50 (# 1813:20 Unique 2.45, 3.37 A)
&rst
ixpk= 1813, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 903, 904,
&end
#
# 59 GLU HN 58 LYS HB+ 4.50 (# 1814:20 Unique 2.45, 3.37 A)
&rst
ixpk= 1814, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 903, 904,
&end
#
# 0 AMB 20-2:1815 0 AMB 20-1:1815 5.50 (# 1815:20 Double Ambig)
&rst
ixpk= 1815, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1116,1117, 258,
igr2= 903, 904, 262, 263,
&end
#
# 24 ILE QG2 29 VAL HB 5.50 (# 1816:20 Unique 2.56, 3.84 A)
&rst
ixpk= 1816, nxpk= 20, iat= -1, 466, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 379, 380, 381,
&end
#
# 26 LEU HA 29 VAL HB 4.50 (# 1817:20 Unique 1.94, 2.21 A)
&rst
ixpk= 1817, nxpk= 20, iat= 408, 466, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 24 ILE QG2 28 GLU HB+ 4.50 (# 1818:20 Unique 2.77, 6.16 A)
&rst
ixpk= 1818, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 379, 380, 381,
igr2= 451, 452,
&end
#
# 32 ARG HB- 28 GLU HB+ 5.50 (# 1819:20 Unique 3.72, 5.38 A)
&rst
ixpk= 1819, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 519, 520,
igr2= 451, 452,
&end
#
# 28 GLU HN 28 GLU HB+ 5.50 (# 1820:20 Unique 2.75, 3.52 A)
&rst
ixpk= 1820, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 451, 452,
&end
#
# 26 LEU HB+ 7 VAL HB 5.50 (# 1821:20 Unique 2.37, 4.41 A)
&rst
ixpk= 1821, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 410, 411,
&end
#
# 7 VAL HN 7 VAL HB 5.50 (# 1822:20 Unique 2.56, 3.16 A)
&rst
ixpk= 1822, nxpk= 20, iat= 101, 105, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 ARG HG- 0 AMB 20-1:1823 4.50 (# 1823:20 Single Ambig)
&rst
ixpk= 1823, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 522, 523,
igr2= 504, 505, 504, 505,
&end
#
# 32 ARG HG- 0 AMB 20-1:1824 4.50 (# 1824:20 Single Ambig)
&rst
ixpk= 1824, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 522, 523,
igr2= 504, 505, 504, 505,
&end
#
# 32 ARG HN 0 AMB 20-1:1826 4.50 (# 1826:20 Single Ambig)
&rst
ixpk= 1826, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 504, 505, 504, 505,
&end
#
# 32 ARG HN 0 AMB 20-1:1827 4.50 (# 1827:20 Single Ambig)
&rst
ixpk= 1827, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 504, 505, 504, 505,
&end
#
# 0 AMB 20-2:1830 58 LYS HD- 5.50 (# 1830:20 Single Ambig)
&rst
ixpk= 1830, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:1831 0 AMB 20-1:1831 5.50 (# 1831:20 Double Ambig)
&rst
ixpk= 1831, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2= 909, 910, 909, 910,
&end
#
# 58 LYS HB+ 58 LYS HD- 4.50 (# 1832:20 Unique 2.00, 2.97 A)
&rst
ixpk= 1832, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 903, 904,
igr2= 909, 910,
&end
#
# 71 ASN HB- 58 LYS HD- 5.50 (# 1833:20 Unique 2.00, 3.82 A)
&rst
ixpk= 1833, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1111,1112,
igr2= 909, 910,
&end
#
# 58 LYS HB+ 58 LYS HD+ 4.50 (# 1834:20 Unique 2.00, 2.97 A)
&rst
ixpk= 1834, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 903, 904,
igr2= 909, 910,
&end
#
# 71 ASN HB- 58 LYS HD+ 4.50 (# 1835:20 Unique 2.00, 3.82 A)
&rst
ixpk= 1835, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1111,1112,
igr2= 909, 910,
&end
#
# 58 LYS HE- 58 LYS HD+ 4.50 (# 1836:20 Unique 2.22, 2.69 A)
&rst
ixpk= 1836, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 912, 913,
igr2= 909, 910,
&end
#
# 71 ASN HN 58 LYS HD+ 5.50 (# 1837:20 Unique 2.90, 4.74 A)
&rst
ixpk= 1837, nxpk= 20, iat=1107, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 909, 910,
&end
#
# 71 ASN HN 58 LYS HD- 5.50 (# 1838:20 Unique 2.90, 4.74 A)
&rst
ixpk= 1838, nxpk= 20, iat=1107, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 909, 910,
&end
#
# 70 GLU HA 58 LYS HD- 5.50 (# 1839:20 Unique 4.23, 6.09 A)
&rst
ixpk= 1839, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:1840 0 AMB 20-1:1840 5.50 (# 1840:20 Double Ambig)
&rst
ixpk= 1840, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1094, 449,
igr2= 909, 910, 488, 489, 488, 489,
&end
#
# 18 VAL MGX 4 TRP HB+ 5.50 (# 1841:20 Unique 2.41, 5.64 A)
&rst
ixpk= 1841, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 296, 297, 298, 300, 301, 302,
igr2= 50, 51,
&end
#
# 0 AMB 20-2:1842 4 TRP HB- 5.50 (# 1842:20 Single Ambig)
&rst
ixpk= 1842, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
igr2= 50, 51,
&end
#
# 4 TRP HA 4 TRP HB- 4.50 (# 1843:20 Unique 2.52, 2.80 A)
&rst
ixpk= 1843, nxpk= 20, iat= 48, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 50, 51,
&end
#
# 17 HIS HD2 4 TRP HB+ 5.50 (# 1844:20 Unique 4.70, 5.19 A)
&rst
ixpk= 1844, nxpk= 20, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 50, 51,
&end
#
# 4 TRP HE3 4 TRP HB- 4.50 (# 1845:20 Unique 2.41, 3.44 A)
&rst
ixpk= 1845, nxpk= 20, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 50, 51,
&end
#
# 0 AMB 20-2:1847 0 AMB 20-1:1847 4.50 (# 1847:20 Double Ambig)
&rst
ixpk= 1847, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 844, 845, 844, 845,
igr2= 817, 818, 817, 818,
&end
#
# 56 GLN HA 0 AMB 20-1:1848 5.50 (# 1848:20 Single Ambig)
&rst
ixpk= 1848, nxpk= 20, iat= 874, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 817, 818, 817, 818,
&end
#
# 52 ARG HN 0 AMB 20-1:1849 4.50 (# 1849:20 Single Ambig)
&rst
ixpk= 1849, nxpk= 20, iat= 813, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 817, 818, 817, 818,
&end
#
# 25 PRO HG- 9 VAL HB 5.50 (# 1850:20 Unique 5.18, 5.99 A)
&rst
ixpk= 1850, nxpk= 20, iat= -1, 145, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 396, 397,
&end
#
# 0 AMB 20-2:1851 9 VAL HB 5.50 (# 1851:20 Single Ambig)
&rst
ixpk= 1851, nxpk= 20, iat= -1, 145, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 161, 162, 161, 162, 190, 191, 399, 400,
&end
#
# 9 VAL HN 9 VAL HB 5.50 (# 1852:20 Unique 3.60, 3.60 A)
&rst
ixpk= 1852, nxpk= 20, iat= 141, 145, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 11 GLU HN 9 VAL HB 5.50 (# 1853:20 Unique 2.27, 2.28 A)
&rst
ixpk= 1853, nxpk= 20, iat= 171, 145, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 30 LYS HN 0 AMB 20-1:1854 5.50 (# 1854:20 Single Ambig)
&rst
ixpk= 1854, nxpk= 20, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 488, 489, 488, 489,
&end
#
# 0 AMB 20-2:1855 0 AMB 20-1:1855 5.50 (# 1855:20 Double Ambig)
&rst
ixpk= 1855, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.17, r4=11.92,
igr1= 480, 158, 159, 158, 159, 158, 159,
igr2= 488, 489, 488, 489, 435, 436, 435, 436, 435, 436,
&end
#
# 26 LEU MDY 0 AMB 20-1:1857 5.50 (# 1857:20 Single Ambig)
&rst
ixpk= 1857, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 841, 842, 841, 842,
&end
#
# 84 LYS HN 0 AMB 20-1:1859 5.50 (# 1859:20 Single Ambig)
&rst
ixpk= 1859, nxpk= 20, iat=1296, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1306,1307,1306,1307,
&end
#
# 0 AMB 20-2:1860 0 AMB 20-1:1860 5.50 (# 1860:20 Double Ambig)
&rst
ixpk= 1860, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160,
igr2=1268,1269,1268,1269,
&end
#
# 0 AMB 20-2:1861 82 LYS HD- 5.50 (# 1861:20 Single Ambig)
&rst
ixpk= 1861, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160,
igr2=1268,1269,
&end
#
# 82 LYS HE- 82 LYS HD- 5.50 (# 1862:20 Unique 2.22, 2.69 A)
&rst
ixpk= 1862, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1271,1272,
igr2=1268,1269,
&end
#
# 82 LYS HE- 82 LYS HD+ 5.50 (# 1865:20 Unique 2.22, 2.69 A)
&rst
ixpk= 1865, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1271,1272,
igr2=1268,1269,
&end
#
# 82 LYS HE+ 82 LYS HD+ 4.50 (# 1866:20 Unique 2.22, 2.69 A)
&rst
ixpk= 1866, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1271,1272,
igr2=1268,1269,
&end
#
# 0 AMB 20-2:1867 68 HIS HB- 5.50 (# 1867:20 Single Ambig)
&rst
ixpk= 1867, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 688, 689, 690, 692,
igr2=1063,1064,
&end
#
# 0 AMB 20-2:1868 0 AMB 20-1:1868 5.50 (# 1868:20 Double Ambig)
&rst
ixpk= 1868, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 688, 689, 690, 692,
igr2=1063,1064,1063,1064,
&end
#
# 83 VAL MGX 19 GLN HB- 4.50 (# 1871:20 Unique 2.00, 4.09 A)
&rst
ixpk= 1871, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1286,1287,1288,1290,1291,1292,
igr2= 310, 311,
&end
#
# 83 VAL MGY 19 GLN HB- 5.50 (# 1872:20 Unique 2.00, 4.09 A)
&rst
ixpk= 1872, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1286,1287,1288,1290,1291,1292,
igr2= 310, 311,
&end
#
# 43 THR MG2 45 LYS HD- 5.50 (# 1874:20 Unique 3.34, 5.98 A)
&rst
ixpk= 1874, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 688, 689, 690,
igr2= 722, 723,
&end
#
# 43 THR MG2 45 LYS HD+ 5.50 (# 1875:20 Unique 3.34, 5.98 A)
&rst
ixpk= 1875, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 688, 689, 690,
igr2= 722, 723,
&end
#
# 45 LYS HA 45 LYS HD- 5.50 (# 1876:20 Unique 2.72, 4.17 A)
&rst
ixpk= 1876, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 722, 723,
&end
#
# 45 LYS HA 45 LYS HD+ 5.50 (# 1877:20 Unique 2.72, 4.17 A)
&rst
ixpk= 1877, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 722, 723,
&end
#
# 7 VAL MGX 56 GLN HB- 5.50 (# 1879:20 Unique 4.85, 7.71 A)
&rst
ixpk= 1879, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 876, 877,
&end
#
# 9 VAL HA 0 AMB 20-1:1880 5.50 (# 1880:20 Single Ambig)
&rst
ixpk= 1880, nxpk= 20, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 175, 176, 175, 176,
&end
#
# 52 ARG HA 56 GLN HB- 4.50 (# 1881:20 Unique 3.41, 4.89 A)
&rst
ixpk= 1881, nxpk= 20, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 876, 877,
&end
#
# 0 AMB 20-2:1882 56 GLN HB- 4.50 (# 1882:20 Single Ambig)
&rst
ixpk= 1882, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 817, 818, 817, 818,
igr2= 876, 877,
&end
#
# 0 AMB 20-2:1883 0 AMB 20-1:1883 2.80 (# 1883:20 Double Ambig)
&rst
ixpk= 1883, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 161, 162, 161, 162, 161, 162,
igr2= 175, 176, 175, 176, 175, 176,
&end
#
# 57 ALA HA 60 ILE HG1+ 5.50 (# 1884:20 Unique 1.98, 2.70 A)
&rst
ixpk= 1884, nxpk= 20, iat= 891, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 946, 947,
&end
#
# 12 GLN HN 0 AMB 20-1:1885 5.50 (# 1885:20 Single Ambig)
&rst
ixpk= 1885, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 175, 176, 175, 176,
&end
#
# 57 ALA HN 56 GLN HB+ 5.50 (# 1886:20 Unique 2.55, 3.38 A)
&rst
ixpk= 1886, nxpk= 20, iat= 889, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 876, 877,
&end
#
# 57 ALA HN 56 GLN HB- 5.50 (# 1887:20 Unique 2.55, 3.38 A)
&rst
ixpk= 1887, nxpk= 20, iat= 889, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 876, 877,
&end
#
# 8 ARG HD- 12 GLN HB- 4.50 (# 1888:20 Unique 1.99, 3.42 A)
&rst
ixpk= 1888, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 127, 128,
igr2= 190, 191,
&end
#
# 0 AMB 20-2:1889 0 AMB 20-1:1889 4.50 (# 1889:20 Double Ambig)
&rst
ixpk= 1889, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 119, 167,
igr2= 190, 191, 228, 229, 228, 229,
&end
#
# 0 AMB 20-2:1891 0 AMB 20-1:1891 5.50 (# 1891:20 Double Ambig)
&rst
ixpk= 1891, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 117, 406,
igr2= 190, 191, 876, 877,
&end
#
# 9 VAL HN 12 GLN HB- 5.50 (# 1892:20 Unique 3.37, 4.25 A)
&rst
ixpk= 1892, nxpk= 20, iat= 141, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 190, 191,
&end
#
# 8 ARG HE 0 AMB 20-1:1893 5.50 (# 1893:20 Single Ambig)
&rst
ixpk= 1893, nxpk= 20, iat= 130, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 124, 125, 124, 125,
&end
#
# 8 ARG HN 0 AMB 20-1:1894 4.50 (# 1894:20 Single Ambig)
&rst
ixpk= 1894, nxpk= 20, iat= 117, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 124, 125, 124, 125,
&end
#
# 48 CYS HB- 0 AMB 20-1:1896 4.50 (# 1896:20 Single Ambig)
&rst
ixpk= 1896, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 775, 776,
igr2= 124, 125, 124, 125,
&end
#
# 8 ARG HD- 0 AMB 20-1:1897 5.50 (# 1897:20 Single Ambig)
&rst
ixpk= 1897, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 127, 128,
igr2= 124, 125, 124, 125,
&end
#
# 0 AMB 20-2:1898 61 LEU HG 4.50 (# 1898:20 Single Ambig)
&rst
ixpk= 1898, nxpk= 20, iat= -1, 962, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1= 949, 950, 951,1082,1083,1084,1086,1087,1088, 107,
108, 109, 111, 112, 113, 740, 741, 742, 744, 745,
746,
&end
#
# 9 VAL HB 25 PRO HG- 5.50 (# 1900:20 Unique 5.18, 5.99 A)
&rst
ixpk= 1900, nxpk= 20, iat= 145, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 396, 397,
&end
#
# 0 AMB 20-2:1901 0 AMB 20-1:1901 4.50 (# 1901:20 Double Ambig)
&rst
ixpk= 1901, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 143,1254,
igr2= 396, 397,1248,1249,1248,1249,
&end
#
# 80 MET HA 0 AMB 20-1:1902 5.50 (# 1902:20 Single Ambig)
&rst
ixpk= 1902, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1248,1249,1248,1249,
&end
#
# 10 PRO HB- 25 PRO HG+ 2.80 (# 1905:20 Unique 2.00, 3.97 A)
&rst
ixpk= 1905, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 164, 165,
igr2= 396, 397,
&end
#
# 0 AMB 20-2:1906 32 ARG HG- 5.50 (# 1906:20 Single Ambig)
&rst
ixpk= 1906, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 386, 387, 388, 379, 380, 381,
igr2= 522, 523,
&end
#
# 32 ARG HN 32 ARG HG- 5.50 (# 1907:20 Unique 3.52, 4.50 A)
&rst
ixpk= 1907, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 522, 523,
&end
#
# 78 ILE HN 78 ILE HG1+ 5.50 (# 1908:20 Unique 1.94, 2.81 A)
&rst
ixpk= 1908, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1208,1209,
&end
#
# 11 GLU HN 0 AMB 20-1:1909 5.50 (# 1909:20 Single Ambig)
&rst
ixpk= 1909, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 161, 162, 161, 162,
&end
#
# 52 ARG HA 52 ARG HG+ 4.50 (# 1910:20 Unique 2.20, 2.92 A)
&rst
ixpk= 1910, nxpk= 20, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 820, 821,
&end
#
# 52 ARG HA 52 ARG HG- 4.50 (# 1911:20 Unique 2.20, 2.92 A)
&rst
ixpk= 1911, nxpk= 20, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 820, 821,
&end
#
# 35 THR MG2 0 AMB 20-1:1912 5.50 (# 1912:20 Single Ambig)
&rst
ixpk= 1912, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 574, 575, 576,
igr2= 612, 613, 612, 613,
&end
#
# 0 AMB 20-2:1913 0 AMB 20-1:1913 4.50 (# 1913:20 Double Ambig)
&rst
ixpk= 1913, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 570, 594,
igr2= 612, 613, 612, 613, 612, 613,
&end
#
# 39 ASP HN 0 AMB 20-1:1914 4.50 (# 1914:20 Single Ambig)
&rst
ixpk= 1914, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 612, 613, 612, 613,
&end
#
# 0 AMB 20-2:1915 0 AMB 20-1:1915 5.50 (# 1915:20 Double Ambig)
&rst
ixpk= 1915, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1= 876, 877, 876, 877, 105,
igr2= 413, 820, 821,
&end
#
# 0 AMB 20-2:1916 26 LEU HG 4.50 (# 1916:20 Single Ambig)
&rst
ixpk= 1916, nxpk= 20, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 408, 891,
&end
#
# 0 AMB 20-2:1917 0 AMB 20-1:1917 5.50 (# 1917:20 Double Ambig)
&rst
ixpk= 1917, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 406, 813,
igr2= 413, 820, 821,
&end
#
# 27 LYS HN 26 LEU HG 5.50 (# 1918:20 Unique 2.69, 4.22 A)
&rst
ixpk= 1918, nxpk= 20, iat= 425, 413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 ILE QD1 22 ILE HG1- 4.50 (# 1919:20 Unique 2.00, 4.05 A)
&rst
ixpk= 1919, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 386, 387, 388,
igr2= 350, 351,
&end
#
# 22 ILE HA 22 ILE HG1- 5.50 (# 1920:20 Unique 2.19, 2.79 A)
&rst
ixpk= 1920, nxpk= 20, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 350, 351,
&end
#
# 5 ILE HA 22 ILE HG1- 5.50 (# 1921:20 Unique 2.30, 5.52 A)
&rst
ixpk= 1921, nxpk= 20, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 350, 351,
&end
#
# 24 ILE QD1 22 ILE HG1+ 4.50 (# 1922:20 Unique 2.00, 4.05 A)
&rst
ixpk= 1922, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 386, 387, 388,
igr2= 350, 351,
&end
#
# 22 ILE HA 22 ILE HG1+ 5.50 (# 1923:20 Unique 2.19, 2.79 A)
&rst
ixpk= 1923, nxpk= 20, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 350, 351,
&end
#
# 5 ILE HA 22 ILE HG1+ 5.50 (# 1924:20 Unique 2.30, 5.52 A)
&rst
ixpk= 1924, nxpk= 20, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 350, 351,
&end
#
# 37 VAL MGX 0 AMB 20-1:1928 5.50 (# 1928:20 Single Ambig)
&rst
ixpk= 1928, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 80, 81, 80, 81,
&end
#
# 3 HIS HB- 0 AMB 20-1:1929 5.50 (# 1929:20 Single Ambig)
&rst
ixpk= 1929, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 33, 34,
igr2= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:1930 0 AMB 20-1:1930 5.50 (# 1930:20 Double Ambig)
&rst
ixpk= 1930, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 33, 34, 33, 34,
igr2= 80, 81, 80, 81,
&end
#
# 4 TRP HA 0 AMB 20-1:1931 5.50 (# 1931:20 Single Ambig)
&rst
ixpk= 1931, nxpk= 20, iat= 48, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:1932 0 AMB 20-1:1932 5.50 (# 1932:20 Double Ambig)
&rst
ixpk= 1932, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 89, 712,
igr2= 80, 81, 80, 81, 80, 81,
&end
#
# 33 ILE HA 33 ILE HG1- 5.50 (# 1933:20 Unique 2.53, 3.24 A)
&rst
ixpk= 1933, nxpk= 20, iat= 541, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 549, 550,
&end
#
# 33 ILE HA 33 ILE HG1+ 5.50 (# 1934:20 Unique 2.53, 3.24 A)
&rst
ixpk= 1934, nxpk= 20, iat= 541, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 549, 550,
&end
#
# 16 GLU HB+ 75 LEU HG 5.50 (# 1935:20 Unique 2.97, 4.76 A)
&rst
ixpk= 1935, nxpk= 20, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 262, 263,
&end
#
# 82 LYS HE- 75 LEU HG 5.50 (# 1936:20 Unique 3.17, 5.50 A)
&rst
ixpk= 1936, nxpk= 20, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1271,1272,
&end
#
# 75 LEU HA 75 LEU HG 5.50 (# 1937:20 Unique 2.19, 2.74 A)
&rst
ixpk= 1937, nxpk= 20, iat=1147,1152, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 17 HIS HA 75 LEU HG 5.50 (# 1938:20 Unique 4.18, 5.11 A)
&rst
ixpk= 1938, nxpk= 20, iat= 275,1152, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1939 24 ILE HG1- 5.50 (# 1939:20 Single Ambig)
&rst
ixpk= 1939, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 522, 523, 344, 519, 520,
igr2= 383, 384,
&end
#
# 24 ILE HA 24 ILE HG1- 5.50 (# 1940:20 Unique 2.52, 2.83 A)
&rst
ixpk= 1940, nxpk= 20, iat= 375, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 383, 384,
&end
#
# 24 ILE HN 24 ILE HG1- 5.50 (# 1941:20 Unique 2.53, 3.58 A)
&rst
ixpk= 1941, nxpk= 20, iat= 373, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 383, 384,
&end
#
# 0 AMB 20-2:1942 0 AMB 20-1:1942 5.50 (# 1942:20 Double Ambig)
&rst
ixpk= 1942, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1= 522, 523, 344, 519, 520,
igr2= 383, 384, 383, 384, 383, 384,
&end
#
# 24 ILE HN 24 ILE HG1+ 5.50 (# 1943:20 Unique 2.53, 3.58 A)
&rst
ixpk= 1943, nxpk= 20, iat= 373, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 383, 384,
&end
#
# 53 GLN HG+ 26 LEU MDX 5.50 (# 1945:20 Unique 2.24, 5.42 A)
&rst
ixpk= 1945, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 844, 845,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 20-2:1946 26 LEU MDX 5.50 (# 1946:20 Single Ambig)
&rst
ixpk= 1946, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 884, 885, 849, 850,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 53 GLN HE2- 26 LEU MDX 5.50 (# 1947:20 Unique 3.65, 7.03 A)
&rst
ixpk= 1947, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 849, 850,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 29 VAL MGY 30 LYS HG+ 5.50 (# 1948:20 Unique 2.60, 6.00 A)
&rst
ixpk= 1948, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 468, 469, 470, 472, 473, 474,
igr2= 485, 486,
&end
#
# 64 MET ME 30 LYS HG+ 5.50 (# 1949:20 Unique 2.05, 4.26 A)
&rst
ixpk= 1949, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1011,1012,1013,
igr2= 485, 486,
&end
#
# 0 AMB 20-2:1950 0 AMB 20-1:1950 5.50 (# 1950:20 Double Ambig)
&rst
ixpk= 1950, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 491, 492, 491, 492,
igr2= 485, 486, 485, 486,
&end
#
# 30 LYS HA 30 LYS HG+ 5.50 (# 1951:20 Unique 2.04, 2.73 A)
&rst
ixpk= 1951, nxpk= 20, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 485, 486,
&end
#
# 30 LYS HN 30 LYS HG+ 5.50 (# 1952:20 Unique 1.96, 3.75 A)
&rst
ixpk= 1952, nxpk= 20, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 485, 486,
&end
#
# 30 LYS HA 30 LYS HG- 5.50 (# 1953:20 Unique 2.04, 2.73 A)
&rst
ixpk= 1953, nxpk= 20, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 485, 486,
&end
#
# 0 AMB 20-2:1954 30 LYS HG- 4.50 (# 1954:20 Single Ambig)
&rst
ixpk= 1954, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 491, 492, 491, 492,
igr2= 485, 486,
&end
#
# 64 MET ME 30 LYS HG- 5.50 (# 1955:20 Unique 2.05, 4.26 A)
&rst
ixpk= 1955, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1011,1012,1013,
igr2= 485, 486,
&end
#
# 29 VAL MGY 30 LYS HG- 5.50 (# 1956:20 Unique 2.60, 6.00 A)
&rst
ixpk= 1956, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 468, 469, 470, 472, 473, 474,
igr2= 485, 486,
&end
#
# 30 LYS HN 30 LYS HG- 5.50 (# 1957:20 Unique 1.96, 3.75 A)
&rst
ixpk= 1957, nxpk= 20, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 485, 486,
&end
#
# 40 LYS HA 40 LYS HG+ 5.50 (# 1958:20 Unique 2.56, 3.48 A)
&rst
ixpk= 1958, nxpk= 20, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 641, 642,
&end
#
# 66 TYR HA 40 LYS HG+ 5.50 (# 1959:20 Unique 2.00, 4.68 A)
&rst
ixpk= 1959, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 641, 642,
&end
#
# 66 TYR HA 40 LYS HG- 5.50 (# 1960:20 Unique 2.00, 4.68 A)
&rst
ixpk= 1960, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 641, 642,
&end
#
# 40 LYS HN 40 LYS HG- 5.50 (# 1961:20 Unique 1.95, 2.69 A)
&rst
ixpk= 1961, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 641, 642,
&end
#
# 45 LYS HN 45 LYS HG+ 5.50 (# 1962:20 Unique 2.45, 3.28 A)
&rst
ixpk= 1962, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 719, 720,
&end
#
# 45 LYS HE- 45 LYS HG- 4.50 (# 1963:20 Unique 2.00, 2.96 A)
&rst
ixpk= 1963, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 725, 726,
igr2= 719, 720,
&end
#
# 45 LYS HA 45 LYS HG- 5.50 (# 1964:20 Unique 2.19, 2.85 A)
&rst
ixpk= 1964, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 719, 720,
&end
#
# 45 LYS HN 45 LYS HG- 5.50 (# 1965:20 Unique 2.45, 3.28 A)
&rst
ixpk= 1965, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 719, 720,
&end
#
# 0 AMB 20-2:1966 0 AMB 20-1:1966 5.50 (# 1966:20 Double Ambig)
&rst
ixpk= 1966, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160,
igr2=1265,1266,1265,1266,
&end
#
# 82 LYS HE+ 82 LYS HG+ 4.50 (# 1967:20 Unique 2.04, 2.97 A)
&rst
ixpk= 1967, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1271,1272,
igr2=1265,1266,
&end
#
# 82 LYS HE- 82 LYS HG+ 5.50 (# 1968:20 Unique 2.04, 2.97 A)
&rst
ixpk= 1968, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1271,1272,
igr2=1265,1266,
&end
#
# 18 VAL HA 82 LYS HG+ 5.50 (# 1970:20 Unique 2.00, 3.84 A)
&rst
ixpk= 1970, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1265,1266,
&end
#
# 82 LYS HN 82 LYS HG+ 5.50 (# 1971:20 Unique 2.24, 3.80 A)
&rst
ixpk= 1971, nxpk= 20, iat=1258, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1265,1266,
&end
#
# 18 VAL MGY 82 LYS HG- 5.50 (# 1972:20 Unique 2.06, 5.37 A)
&rst
ixpk= 1972, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 296, 297, 298, 300, 301, 302,
igr2=1265,1266,
&end
#
# 82 LYS HE- 82 LYS HG- 5.50 (# 1973:20 Unique 2.04, 2.97 A)
&rst
ixpk= 1973, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1271,1272,
igr2=1265,1266,
&end
#
# 82 LYS HE+ 82 LYS HG- 5.50 (# 1974:20 Unique 2.04, 2.97 A)
&rst
ixpk= 1974, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1271,1272,
igr2=1265,1266,
&end
#
# 18 VAL HA 82 LYS HG- 4.50 (# 1975:20 Unique 2.00, 3.84 A)
&rst
ixpk= 1975, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1265,1266,
&end
#
# 82 LYS HA 82 LYS HG- 5.50 (# 1976:20 Unique 2.44, 3.40 A)
&rst
ixpk= 1976, nxpk= 20, iat=1260, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1265,1266,
&end
#
# 61 LEU HN 61 LEU MDY 5.50 (# 1977:20 Unique 3.57, 4.61 A)
&rst
ixpk= 1977, nxpk= 20, iat= 955, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 58 LYS HA 61 LEU MDY 5.50 (# 1978:20 Unique 2.00, 4.39 A)
&rst
ixpk= 1978, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 61 LEU HA 61 LEU MDX 5.50 (# 1979:20 Unique 2.00, 3.85 A)
&rst
ixpk= 1979, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 85 GLY HN 0 AMB 20-1:1980 5.50 (# 1980:20 Single Ambig)
&rst
ixpk= 1980, nxpk= 20, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1303,1304,1303,1304,
&end
#
# 28 GLU HN 0 AMB 20-1:1981 5.50 (# 1981:20 Single Ambig)
&rst
ixpk= 1981, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 432, 433, 432, 433,
&end
#
# 69 VAL HB 58 LYS HG+ 4.50 (# 1982:20 Unique 2.24, 3.68 A)
&rst
ixpk= 1982, nxpk= 20, iat=1080, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 906, 907,
&end
#
# 69 VAL HB 58 LYS HG- 4.50 (# 1983:20 Unique 2.24, 3.68 A)
&rst
ixpk= 1983, nxpk= 20, iat=1080, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 906, 907,
&end
#
# 58 LYS HE- 58 LYS HG+ 4.50 (# 1984:20 Unique 2.00, 3.01 A)
&rst
ixpk= 1984, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 912, 913,
igr2= 906, 907,
&end
#
# 0 AMB 20-2:1985 58 LYS HG- 4.50 (# 1985:20 Single Ambig)
&rst
ixpk= 1985, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 912, 913, 912, 913,
igr2= 906, 907,
&end
#
# 58 LYS HA 58 LYS HG- 4.50 (# 1986:20 Unique 2.06, 2.69 A)
&rst
ixpk= 1986, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 906, 907,
&end
#
# 0 AMB 20-2:1987 29 VAL MGY 4.50 (# 1987:20 Single Ambig)
&rst
ixpk= 1987, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 539, 447,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:1988 0 AMB 20-1:1988 5.50 (# 1988:20 Double Ambig)
&rst
ixpk= 1988, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=1271,1272,1271,1272,
igr2=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160,
&end
#
# 74 GLY HA- 0 AMB 20-1:1989 5.50 (# 1989:20 Single Ambig)
&rst
ixpk= 1989, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1140,1141,
igr2=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160,
&end
#
# 78 ILE HN 0 AMB 20-1:1991 5.50 (# 1991:20 Single Ambig)
&rst
ixpk= 1991, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr2=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160,
&end
#
# 77 ASP HN 0 AMB 20-1:1993 5.50 (# 1993:20 Single Ambig)
&rst
ixpk= 1993, nxpk= 20, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1171,1172,1171,1172,
&end
#
# 76 LYS HA 0 AMB 20-1:1994 5.50 (# 1994:20 Single Ambig)
&rst
ixpk= 1994, nxpk= 20, iat=1166, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1171,1172,1171,1172,
&end
#
# 0 AMB 20-2:1995 26 LEU MDY 5.50 (# 1995:20 Single Ambig)
&rst
ixpk= 1995, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1= 884, 885, 872, 849, 850,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 26 LEU HN 26 LEU MDY 5.50 (# 1996:20 Unique 2.25, 5.00 A)
&rst
ixpk= 1996, nxpk= 20, iat= 406, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 27 LYS HN 26 LEU MDY 5.50 (# 1997:20 Unique 2.52, 4.99 A)
&rst
ixpk= 1997, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 61 LEU HG 46 VAL MGY 5.50 (# 1998:20 Unique 4.73, 7.07 A)
&rst
ixpk= 1998, nxpk= 20, iat= 962, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 5 ILE HN 46 VAL MGY 5.50 (# 1999:20 Unique 4.60, 6.91 A)
&rst
ixpk= 1999, nxpk= 20, iat= 70, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 54 SER HB- 46 VAL MGY 5.50 (# 2000:20 Unique 2.00, 4.85 A)
&rst
ixpk= 2000, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 858, 859,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 7 VAL HB 46 VAL MGY 5.50 (# 2001:20 Unique 2.19, 5.65 A)
&rst
ixpk= 2001, nxpk= 20, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 21 ALA MB 18 VAL MGY 4.50 (# 2002:20 Unique 2.00, 6.45 A)
&rst
ixpk= 2002, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 334, 335, 336,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 82 LYS HE- 18 VAL MGY 5.50 (# 2003:20 Unique 2.36, 6.51 A)
&rst
ixpk= 2003, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1271,1272,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 80 MET HG+ 18 VAL MGY 5.50 (# 2004:20 Unique 2.04, 6.48 A)
&rst
ixpk= 2004, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1234,1235,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 82 LYS HE+ 18 VAL MGY 5.50 (# 2005:20 Unique 2.36, 6.51 A)
&rst
ixpk= 2005, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1271,1272,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 4 TRP HB+ 18 VAL MGY 5.50 (# 2006:20 Unique 2.41, 5.64 A)
&rst
ixpk= 2006, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 50, 51,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 17 HIS HD2 18 VAL MGY 5.50 (# 2009:20 Unique 2.97, 6.51 A)
&rst
ixpk= 2009, nxpk= 20, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 19 GLN HN 18 VAL MGY 5.50 (# 2010:20 Unique 2.13, 4.18 A)
&rst
ixpk= 2010, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:2011 69 VAL MGY 5.50 (# 2011:20 Single Ambig)
&rst
ixpk= 2011, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1094, 976,1026,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:2012 69 VAL MGY 5.50 (# 2012:20 Single Ambig)
&rst
ixpk= 2012, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 696, 974,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 68 HIS HN 69 VAL MGY 5.50 (# 2013:20 Unique 2.56, 5.21 A)
&rst
ixpk= 2013, nxpk= 20, iat=1059, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 44 VAL HN 37 VAL MGY 5.50 (# 2014:20 Unique 5.59, 7.40 A)
&rst
ixpk= 2014, nxpk= 20, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 37 VAL HN 37 VAL MGY 5.50 (# 2015:20 Unique 2.01, 4.10 A)
&rst
ixpk= 2015, nxpk= 20, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 42 ASP HN 37 VAL MGY 5.50 (# 2016:20 Unique 4.52, 6.54 A)
&rst
ixpk= 2016, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 3 HIS HD2 37 VAL MGY 5.50 (# 2017:20 Unique 4.32, 6.98 A)
&rst
ixpk= 2017, nxpk= 20, iat= 42, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 40 LYS HA 37 VAL MGY 5.50 (# 2018:20 Unique 3.18, 5.83 A)
&rst
ixpk= 2018, nxpk= 20, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 37 VAL MGX 44 VAL MGX 5.50 (# 2019:20 Unique 2.00, 4.98 A)
&rst
ixpk= 2019, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:2020 44 VAL MGX 5.50 (# 2020:20 Single Ambig)
&rst
ixpk= 2020, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 674, 675, 33, 34,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:2021 44 VAL MGX 5.50 (# 2021:20 Single Ambig)
&rst
ixpk= 2021, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 674, 675, 33, 34,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 69 VAL HA 44 VAL MGX 5.50 (# 2022:20 Unique 4.03, 5.38 A)
&rst
ixpk= 2022, nxpk= 20, iat=1078, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 46 VAL HN 44 VAL MGX 5.50 (# 2023:20 Unique 3.76, 6.49 A)
&rst
ixpk= 2023, nxpk= 20, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 68 HIS HN 67 THR MG2 5.50 (# 2024:20 Unique 2.16, 4.65 A)
&rst
ixpk= 2024, nxpk= 20, iat=1059, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1051,1052,1053,
&end
#
# 66 TYR HN 67 THR MG2 5.50 (# 2025:20 Unique 4.04, 5.96 A)
&rst
ixpk= 2025, nxpk= 20, iat=1024, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1051,1052,1053,
&end
#
# 0 AMB 20-2:2026 0 AMB 20-1:2026 2.80 (# 2026:20 Double Ambig)
&rst
ixpk= 2026, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 700,1080,
igr2=1082,1083,1084,1086,1087,1088, 702, 703, 704, 706,
707, 708,
&end
#
# 0 AMB 20-2:2027 0 AMB 20-1:2027 5.50 (# 2027:20 Double Ambig)
&rst
ixpk= 2027, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
igr1= 594, 957, 978, 979, 978, 979,
igr2= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
1087,1088,
&end
#
# 17 HIS HD2 21 ALA MB 5.50 (# 2029:20 Unique 2.00, 2.99 A)
&rst
ixpk= 2029, nxpk= 20, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 334, 335, 336,
&end
#
# 18 VAL HN 21 ALA MB 5.50 (# 2030:20 Unique 3.98, 5.40 A)
&rst
ixpk= 2030, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 334, 335, 336,
&end
#
# 6 ASP HN 21 ALA MB 5.50 (# 2031:20 Unique 2.59, 4.19 A)
&rst
ixpk= 2031, nxpk= 20, iat= 89, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 334, 335, 336,
&end
#
# 0 AMB 20-2:2032 43 THR MG2 4.50 (# 2032:20 Single Ambig)
&rst
ixpk= 2032, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 719, 720, 722, 723,
igr2= 688, 689, 690,
&end
#
# 0 AMB 20-2:2033 43 THR MG2 5.50 (# 2033:20 Single Ambig)
&rst
ixpk= 2033, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 682, 29,
igr2= 688, 689, 690,
&end
#
# 2 GLU HA 43 THR MG2 5.50 (# 2034:20 Unique 4.61, 5.65 A)
&rst
ixpk= 2034, nxpk= 20, iat= 16, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 688, 689, 690,
&end
#
# 68 HIS HB+ 43 THR MG2 5.50 (# 2035:20 Unique 4.47, 7.12 A)
&rst
ixpk= 2035, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1063,1064,
igr2= 688, 689, 690,
&end
#
# 68 HIS HB- 43 THR MG2 5.50 (# 2036:20 Unique 4.47, 7.12 A)
&rst
ixpk= 2036, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1063,1064,
igr2= 688, 689, 690,
&end
#
# 0 AMB 20-2:2037 69 VAL MGX 3.50 (# 2037:20 Single Ambig)
&rst
ixpk= 2037, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 959, 960, 906, 907, 906, 907,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 29 VAL HN 29 VAL MGX 5.50 (# 2038:20 Unique 1.94, 3.81 A)
&rst
ixpk= 2038, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:2039 29 VAL MGX 5.50 (# 2039:20 Single Ambig)
&rst
ixpk= 2039, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 539, 447,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:2040 29 VAL MGX 3.50 (# 2040:20 Single Ambig)
&rst
ixpk= 2040, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1= 552, 553, 554, 964, 965, 966, 968, 969, 970,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 72 ALA HN 46 VAL MGX 5.50 (# 2041:20 Unique 1.95, 4.55 A)
&rst
ixpk= 2041, nxpk= 20, iat=1121, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:2042 46 VAL MGX 5.50 (# 2042:20 Single Ambig)
&rst
ixpk= 2042, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1092,1107,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 58 LYS HN 46 VAL MGX 5.50 (# 2043:20 Unique 3.59, 6.59 A)
&rst
ixpk= 2043, nxpk= 20, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 46 VAL HA 46 VAL MGX 5.50 (# 2044:20 Unique 2.17, 3.46 A)
&rst
ixpk= 2044, nxpk= 20, iat= 736, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 54 SER HB- 46 VAL MGX 5.50 (# 2045:20 Unique 2.00, 4.85 A)
&rst
ixpk= 2045, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 858, 859,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:2046 46 VAL MGX 5.50 (# 2046:20 Single Ambig)
&rst
ixpk= 2046, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1111,1112, 105,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 58 LYS HB+ 46 VAL MGX 5.50 (# 2047:20 Unique 3.58, 7.08 A)
&rst
ixpk= 2047, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 903, 904,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 46 VAL HB 46 VAL MGX 4.50 (# 2048:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2048, nxpk= 20, iat= 738, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 19 GLN HA 83 VAL MGY 5.50 (# 2049:20 Unique 2.25, 4.60 A)
&rst
ixpk= 2049, nxpk= 20, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 0 AMB 20-2:2050 83 VAL MGY 5.50 (# 2050:20 Single Ambig)
&rst
ixpk= 2050, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1280, 283,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 0 AMB 20-2:2051 7 VAL MGY 5.50 (# 2051:20 Single Ambig)
&rst
ixpk= 2051, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 117, 406,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 47 TYR HN 7 VAL MGY 5.50 (# 2052:20 Unique 2.30, 4.95 A)
&rst
ixpk= 2052, nxpk= 20, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:2054 36 ALA MB 5.50 (# 2054:20 Single Ambig)
&rst
ixpk= 2054, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 594, 570, 375,
igr2= 586, 587, 588,
&end
#
# 42 ASP HB+ 1 ALA MB 5.50 (# 2055:20 Unique 4.13, 6.97 A)
&rst
ixpk= 2055, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 674, 675,
igr2= 8, 9, 10,
&end
#
# 0 AMB 20-2:2056 72 ALA MB 5.50 (# 2056:20 Single Ambig)
&rst
ixpk= 2056, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1133,1134,1140,1141,
igr2=1125,1126,1127,
&end
#
# 71 ASN HD2- 72 ALA MB 5.50 (# 2057:20 Unique 4.14, 5.91 A)
&rst
ixpk= 2057, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1116,1117,
igr2=1125,1126,1127,
&end
#
# 45 LYS HD+ 72 ALA MB 4.50 (# 2058:20 Unique 2.08, 4.76 A)
&rst
ixpk= 2058, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 722, 723,
igr2=1125,1126,1127,
&end
#
# 80 MET HG+ 18 VAL MGX 5.50 (# 2059:20 Unique 2.04, 6.48 A)
&rst
ixpk= 2059, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1234,1235,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 4 TRP HB+ 18 VAL MGX 5.50 (# 2060:20 Unique 2.41, 5.64 A)
&rst
ixpk= 2060, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 50, 51,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:2061 18 VAL MGX 5.50 (# 2061:20 Single Ambig)
&rst
ixpk= 2061, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 286, 65,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:2062 18 VAL MGX 5.50 (# 2062:20 Single Ambig)
&rst
ixpk= 2062, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 330,1280,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 39 ASP HB+ 37 VAL MGX 5.50 (# 2063:20 Unique 2.89, 6.40 A)
&rst
ixpk= 2063, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 626, 627,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 32 ARG HN 33 ILE QG2 5.50 (# 2064:20 Unique 3.31, 4.54 A)
&rst
ixpk= 2064, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 545, 546, 547,
&end
#
# 0 AMB 20-2:2065 33 ILE QG2 5.50 (# 2065:20 Single Ambig)
&rst
ixpk= 2065, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1032,1041, 568,
igr2= 545, 546, 547,
&end
#
# 34 ALA HA 33 ILE QG2 5.50 (# 2066:20 Unique 3.28, 4.32 A)
&rst
ixpk= 2066, nxpk= 20, iat= 560, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 545, 546, 547,
&end
#
# 64 MET HB+ 33 ILE QG2 5.50 (# 2067:20 Unique 3.09, 4.69 A)
&rst
ixpk= 2067, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1004,1005,
igr2= 545, 546, 547,
&end
#
# 64 MET HB- 33 ILE QG2 5.50 (# 2068:20 Unique 3.09, 4.69 A)
&rst
ixpk= 2068, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1004,1005,
igr2= 545, 546, 547,
&end
#
# 0 AMB 20-2:2069 33 ILE QG2 5.50 (# 2069:20 Single Ambig)
&rst
ixpk= 2069, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1= 466, 504, 505, 504, 505,
igr2= 545, 546, 547,
&end
#
# 0 AMB 20-2:2070 24 ILE QG2 5.50 (# 2070:20 Single Ambig)
&rst
ixpk= 2070, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 373, 568,
igr2= 379, 380, 381,
&end
#
# 29 VAL HN 24 ILE QG2 5.50 (# 2071:20 Unique 3.83, 5.15 A)
&rst
ixpk= 2071, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 379, 380, 381,
&end
#
# 32 ARG HN 24 ILE QG2 5.50 (# 2072:20 Unique 4.12, 4.73 A)
&rst
ixpk= 2072, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 379, 380, 381,
&end
#
# 0 AMB 20-2:2073 57 ALA MB 5.50 (# 2073:20 Single Ambig)
&rst
ixpk= 2073, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 872, 921, 865,
igr2= 893, 894, 895,
&end
#
# 7 VAL HB 57 ALA MB 4.50 (# 2075:20 Unique 2.19, 4.53 A)
&rst
ixpk= 2075, nxpk= 20, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 893, 894, 895,
&end
#
# 0 AMB 20-2:2076 9 VAL MGX 5.50 (# 2076:20 Single Ambig)
&rst
ixpk= 2076, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 438, 439, 438, 439,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 0 AMB 20-2:2077 9 VAL MGX 5.50 (# 2077:20 Single Ambig)
&rst
ixpk= 2077, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 119, 167,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 0 AMB 20-2:2078 9 VAL MGX 5.50 (# 2078:20 Single Ambig)
&rst
ixpk= 2078, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 849, 850, 198, 199,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 12 GLN HE2+ 9 VAL MGX 5.50 (# 2079:20 Unique 3.39, 6.58 A)
&rst
ixpk= 2079, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 198, 199,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 26 LEU HN 9 VAL MGX 5.50 (# 2080:20 Unique 4.10, 6.98 A)
&rst
ixpk= 2080, nxpk= 20, iat= 406, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 64 MET ME 34 ALA MB 4.50 (# 2081:20 Unique 2.08, 5.70 A)
&rst
ixpk= 2081, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1011,1012,1013,
igr2= 562, 563, 564,
&end
#
# 38 PRO HA 34 ALA MB 5.50 (# 2082:20 Unique 3.03, 6.12 A)
&rst
ixpk= 2082, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 562, 563, 564,
&end
#
# 7 VAL HA 7 VAL MGX 5.50 (# 2084:20 Unique 2.23, 3.30 A)
&rst
ixpk= 2084, nxpk= 20, iat= 103, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:2085 7 VAL MGX 5.50 (# 2085:20 Single Ambig)
&rst
ixpk= 2085, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 117, 406,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 47 TYR HN 7 VAL MGX 5.50 (# 2086:20 Unique 2.30, 4.95 A)
&rst
ixpk= 2086, nxpk= 20, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 82 LYS HE- 78 ILE QG2 5.50 (# 2087:20 Unique 2.00, 4.77 A)
&rst
ixpk= 2087, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1271,1272,
igr2=1204,1205,1206,
&end
#
# 82 LYS HE+ 78 ILE QG2 5.50 (# 2088:20 Unique 2.00, 4.77 A)
&rst
ixpk= 2088, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1271,1272,
igr2=1204,1205,1206,
&end
#
# 4 TRP HZ3 78 ILE QG2 5.50 (# 2089:20 Unique 2.69, 5.24 A)
&rst
ixpk= 2089, nxpk= 20, iat= 63, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1204,1205,1206,
&end
#
# 79 ALA HN 78 ILE QG2 5.50 (# 2090:20 Unique 1.97, 3.33 A)
&rst
ixpk= 2090, nxpk= 20, iat=1217, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1204,1205,1206,
&end
#
# 24 ILE HA 22 ILE QG2 5.50 (# 2092:20 Unique 4.66, 6.04 A)
&rst
ixpk= 2092, nxpk= 20, iat= 375, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 346, 347, 348,
&end
#
# 64 MET HA 64 MET ME 5.50 (# 2094:20 Unique 2.64, 5.16 A)
&rst
ixpk= 2094, nxpk= 20, iat=1002, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1011,1012,1013,
&end
#
# 34 ALA HN 64 MET ME 5.50 (# 2095:20 Unique 2.89, 5.16 A)
&rst
ixpk= 2095, nxpk= 20, iat= 558, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1011,1012,1013,
&end
#
# 33 ILE HN 64 MET ME 5.50 (# 2096:20 Unique 4.02, 5.31 A)
&rst
ixpk= 2096, nxpk= 20, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1011,1012,1013,
&end
#
# 64 MET HN 64 MET ME 5.50 (# 2097:20 Unique 3.42, 5.61 A)
&rst
ixpk= 2097, nxpk= 20, iat=1000, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1011,1012,1013,
&end
#
# 78 ILE HA 79 ALA MB 5.50 (# 2098:20 Unique 4.12, 4.93 A)
&rst
ixpk= 2098, nxpk= 20, iat=1200, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1221,1222,1223,
&end
#
# 80 MET HN 79 ALA MB 5.50 (# 2099:20 Unique 2.84, 4.05 A)
&rst
ixpk= 2099, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1221,1222,1223,
&end
#
# 7 VAL HA 5 ILE QG2 5.50 (# 2100:20 Unique 3.73, 4.92 A)
&rst
ixpk= 2100, nxpk= 20, iat= 103, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 76, 77, 78,
&end
#
# 5 ILE HN 5 ILE QG2 5.50 (# 2101:20 Unique 4.40, 4.63 A)
&rst
ixpk= 2101, nxpk= 20, iat= 70, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 76, 77, 78,
&end
#
# 81 PRO HD+ 80 MET ME 5.50 (# 2102:20 Unique 2.01, 5.04 A)
&rst
ixpk= 2102, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1245,1246,
igr2=1238,1239,1240,
&end
#
# 80 MET HA 80 MET ME 5.50 (# 2103:20 Unique 3.68, 5.18 A)
&rst
ixpk= 2103, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1238,1239,1240,
&end
#
# 0 AMB 20-2:2104 80 MET ME 5.50 (# 2104:20 Single Ambig)
&rst
ixpk= 2104, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 61,1227,
igr2=1238,1239,1240,
&end
#
# 24 ILE HB 33 ILE QD1 5.50 (# 2105:20 Unique 4.79, 6.46 A)
&rst
ixpk= 2105, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 552, 553, 554,
&end
#
# 32 ARG HB- 33 ILE QD1 5.50 (# 2106:20 Unique 4.97, 6.82 A)
&rst
ixpk= 2106, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 519, 520,
igr2= 552, 553, 554,
&end
#
# 0 AMB 20-2:2107 33 ILE QD1 5.50 (# 2107:20 Single Ambig)
&rst
ixpk= 2107, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 592, 539,
igr2= 552, 553, 554,
&end
#
# 75 LEU HB+ 78 ILE QD1 5.50 (# 2108:20 Unique 4.73, 6.59 A)
&rst
ixpk= 2108, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1149,1150,
igr2=1211,1212,1213,
&end
#
# 4 TRP HZ3 78 ILE QD1 4.50 (# 2109:20 Unique 2.00, 4.14 A)
&rst
ixpk= 2109, nxpk= 20, iat= 63, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1211,1212,1213,
&end
#
# 78 ILE HN 78 ILE QD1 4.50 (# 2110:20 Unique 1.97, 3.92 A)
&rst
ixpk= 2110, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1211,1212,1213,
&end
#
# 0 AMB 20-2:2111 60 ILE QD1 5.50 (# 2111:20 Single Ambig)
&rst
ixpk= 2111, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 879, 880, 879, 880,
igr2= 949, 950, 951,
&end
#
# 60 ILE HA 60 ILE QD1 5.50 (# 2112:20 Unique 4.60, 5.08 A)
&rst
ixpk= 2112, nxpk= 20, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 949, 950, 951,
&end
#
# 0 AMB 20-2:2113 60 ILE QD1 5.50 (# 2113:20 Single Ambig)
&rst
ixpk= 2113, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 462, 921, 872,
igr2= 949, 950, 951,
&end
#
# 60 ILE HN 60 ILE QD1 5.50 (# 2114:20 Unique 3.82, 4.33 A)
&rst
ixpk= 2114, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 949, 950, 951,
&end
#
# 0 AMB 20-2:2115 60 ILE QD1 5.50 (# 2115:20 Single Ambig)
&rst
ixpk= 2115, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 955, 889,
igr2= 949, 950, 951,
&end
#
# 30 LYS HN 60 ILE QD1 5.50 (# 2116:20 Unique 3.44, 4.74 A)
&rst
ixpk= 2116, nxpk= 20, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 949, 950, 951,
&end
#
# 22 ILE HN 22 ILE QD1 5.50 (# 2117:20 Unique 4.30, 5.48 A)
&rst
ixpk= 2117, nxpk= 20, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 353, 354, 355,
&end
#
# 22 ILE HA 22 ILE QD1 5.50 (# 2118:20 Unique 3.40, 4.33 A)
&rst
ixpk= 2118, nxpk= 20, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 353, 354, 355,
&end
#
# 29 VAL HA 24 ILE QD1 5.50 (# 2121:20 Unique 4.10, 5.77 A)
&rst
ixpk= 2121, nxpk= 20, iat= 464, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 386, 387, 388,
&end
#
# 24 ILE HA 24 ILE QD1 5.50 (# 2122:20 Unique 2.03, 4.57 A)
&rst
ixpk= 2122, nxpk= 20, iat= 375, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 386, 387, 388,
&end
#
# 3 HIS HB- 5 ILE QD1 5.50 (# 2123:20 Unique 2.00, 3.94 A)
&rst
ixpk= 2123, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 33, 34,
igr2= 83, 84, 85,
&end
#
# 3 HIS HB+ 5 ILE QD1 5.50 (# 2124:20 Unique 2.00, 3.94 A)
&rst
ixpk= 2124, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 33, 34,
igr2= 83, 84, 85,
&end
#
# 0 AMB 20-2:2125 5 ILE QD1 5.50 (# 2125:20 Single Ambig)
&rst
ixpk= 2125, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 696, 89,
igr2= 83, 84, 85,
&end
#
# 22 ILE HN 5 ILE QD1 5.50 (# 2126:20 Unique 5.15, 6.44 A)
&rst
ixpk= 2126, nxpk= 20, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 83, 84, 85,
&end
#
# 83 VAL MGX 83 VAL HA 4.50 (# 2127:20 Unique 2.17, 3.45 A)
&rst
ixpk= 2127, nxpk= 20, iat= -1,1282, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 22 ILE QG2 22 ILE HA 4.50 (# 2128:20 Unique 2.40, 3.84 A)
&rst
ixpk= 2128, nxpk= 20, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 346, 347, 348,
&end
#
# 49 ASN HN 49 ASN HA 4.50 (# 2130:20 Unique 2.74, 2.83 A)
&rst
ixpk= 2130, nxpk= 20, iat= 782, 784, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 54 SER HB+ 47 TYR HA 4.50 (# 2131:20 Unique 3.33, 4.36 A)
&rst
ixpk= 2131, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 858, 859,
&end
#
# 0 AMB 20-2:2132 53 GLN HG- 3.50 (# 2132:20 Single Ambig)
&rst
ixpk= 2132, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 121, 122, 817, 818, 817, 818,
igr2= 844, 845,
&end
#
# 82 LYS HN 82 LYS HG- 5.50 (# 2133:20 Unique 2.24, 3.80 A)
&rst
ixpk= 2133, nxpk= 20, iat=1258, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1265,1266,
&end
#
# 18 VAL MGY 82 LYS HG+ 5.50 (# 2134:20 Unique 2.06, 5.37 A)
&rst
ixpk= 2134, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 296, 297, 298, 300, 301, 302,
igr2=1265,1266,
&end
#
# 82 LYS HA 19 GLN HN 3.50 (# 0:10 Unique 2.49, 3.29 A)
&rst
ixpk= 0, nxpk= 10, iat=1260, 306, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
&end
#
# 19 GLN HA 19 GLN HN 4.50 (# 1:10 Unique 2.75, 2.82 A)
&rst
ixpk= 1, nxpk= 10, iat= 308, 306, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 18 VAL HA 19 GLN HN 2.80 (# 2:10 Unique 2.14, 2.20 A)
&rst
ixpk= 2, nxpk= 10, iat= 292, 306, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 19 GLN HB+ 19 GLN HN 3.50 (# 3:10 Unique 2.08, 2.61 A)
&rst
ixpk= 3, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 310, 311,
&end
#
# 0 AMB 10-2:4 19 GLN HN 3.50 (# 4:10 Single Ambig)
&rst
ixpk= 4, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 310, 311, 294,1262,1263,
&end
#
# 18 VAL MGX 19 GLN HN 3.50 (# 5:10 Unique 2.13, 4.18 A)
&rst
ixpk= 5, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 296, 297, 298, 300, 301, 302,
&end
#
# 4 TRP HZ2 4 TRP HE1 3.50 (# 6:10 Unique 2.82, 2.82 A)
&rst
ixpk= 6, nxpk= 10, iat= 59, 56, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 4 TRP HD1 4 TRP HE1 3.50 (# 7:10 Unique 2.57, 2.57 A)
&rst
ixpk= 7, nxpk= 10, iat= 54, 56, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:8 4 TRP HE1 4.50 (# 8:10 Single Ambig)
&rst
ixpk= 8, nxpk= 10, iat= -1, 56, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 21, 22, 21, 22,
&end
#
# 80 MET ME 4 TRP HE1 4.50 (# 9:10 Unique 2.04, 3.87 A)
&rst
ixpk= 9, nxpk= 10, iat= -1, 56, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1238,1239,1240,
&end
#
# 72 ALA HA 72 ALA HN 5.50 (# 10:10 Unique 2.76, 2.85 A)
&rst
ixpk= 10, nxpk= 10, iat=1123,1121, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 VAL HN 72 ALA HN 5.50 (# 11:10 Unique 2.07, 2.97 A)
&rst
ixpk= 11, nxpk= 10, iat= 734,1121, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 73 GLY HN 72 ALA HN 4.50 (# 12:10 Unique 2.06, 2.68 A)
&rst
ixpk= 12, nxpk= 10, iat=1131,1121, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 71 ASN HA 72 ALA HN 2.80 (# 13:10 Unique 2.14, 2.19 A)
&rst
ixpk= 13, nxpk= 10, iat=1109,1121, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 72 ALA MB 72 ALA HN 3.50 (# 14:10 Unique 2.06, 2.98 A)
&rst
ixpk= 14, nxpk= 10, iat= -1,1121, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1125,1126,1127,
&end
#
# 69 VAL HA 44 VAL HN 4.50 (# 15:10 Unique 3.39, 3.50 A)
&rst
ixpk= 15, nxpk= 10, iat=1078, 696, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 VAL HA 44 VAL HN 4.50 (# 17:10 Unique 2.92, 2.94 A)
&rst
ixpk= 17, nxpk= 10, iat= 698, 696, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:18 44 VAL HN 3.50 (# 18:10 Single Ambig)
&rst
ixpk= 18, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 700,1096,1097,
&end
#
# 43 THR MG2 44 VAL HN 4.50 (# 19:10 Unique 2.12, 3.58 A)
&rst
ixpk= 19, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 688, 689, 690,
&end
#
# 0 AMB 10-2:20 44 VAL HN 3.50 (# 20:10 Single Ambig)
&rst
ixpk= 20, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
1087,1088,1082,1083,1084,1086,1087,1088,
&end
#
# 45 LYS HA 45 LYS HN 4.50 (# 21:10 Unique 2.86, 2.90 A)
&rst
ixpk= 21, nxpk= 10, iat= 714, 712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 VAL HA 45 LYS HN 2.80 (# 22:10 Unique 2.14, 2.18 A)
&rst
ixpk= 22, nxpk= 10, iat= 698, 712, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:23 45 LYS HN 3.50 (# 23:10 Single Ambig)
&rst
ixpk= 23, nxpk= 10, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 702, 703, 704, 706, 707, 708, 719, 720,
&end
#
# 0 AMB 10-2:24 45 LYS HN 3.50 (# 24:10 Single Ambig)
&rst
ixpk= 24, nxpk= 10, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 716, 717, 716, 717,
&end
#
# 4 TRP HA 45 LYS HN 4.50 (# 25:10 Unique 4.10, 4.43 A)
&rst
ixpk= 25, nxpk= 10, iat= 48, 712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:26 6 ASP HN 4.50 (# 26:10 Single Ambig)
&rst
ixpk= 26, nxpk= 10, iat= -1, 89, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 373, 65, 286, 101,
&end
#
# 5 ILE HA 6 ASP HN 2.80 (# 27:10 Unique 2.16, 2.28 A)
&rst
ixpk= 27, nxpk= 10, iat= 72, 89, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 6 ASP HB+ 6 ASP HN 3.50 (# 28:10 Unique 2.10, 3.03 A)
&rst
ixpk= 28, nxpk= 10, iat= -1, 89, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 93, 94,
&end
#
# 6 ASP HB- 6 ASP HN 4.50 (# 29:10 Unique 2.10, 3.03 A)
&rst
ixpk= 29, nxpk= 10, iat= -1, 89, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 93, 94,
&end
#
# 5 ILE QG2 6 ASP HN 3.50 (# 30:10 Unique 3.27, 4.43 A)
&rst
ixpk= 30, nxpk= 10, iat= -1, 89, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 76, 77, 78,
&end
#
# 6 ASP HA 6 ASP HN 5.50 (# 31:10 Unique 2.84, 2.84 A)
&rst
ixpk= 31, nxpk= 10, iat= 91, 89, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 ALA MB 6 ASP HN 5.50 (# 32:10 Unique 2.59, 4.19 A)
&rst
ixpk= 32, nxpk= 10, iat= -1, 89, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 334, 335, 336,
&end
#
# 69 VAL HN 68 HIS HN 5.50 (# 33:10 Unique 2.30, 3.28 A)
&rst
ixpk= 33, nxpk= 10, iat=1076,1059, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 67 THR HN 68 HIS HN 3.50 (# 34:10 Unique 1.89, 2.56 A)
&rst
ixpk= 34, nxpk= 10, iat=1045,1059, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 HIS HA 68 HIS HN 4.50 (# 35:10 Unique 2.79, 2.90 A)
&rst
ixpk= 35, nxpk= 10, iat=1061,1059, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 67 THR HA 68 HIS HN 4.50 (# 37:10 Unique 2.40, 2.97 A)
&rst
ixpk= 37, nxpk= 10, iat=1047,1059, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 HIS HB+ 68 HIS HN 5.50 (# 38:10 Unique 2.59, 3.37 A)
&rst
ixpk= 38, nxpk= 10, iat= -1,1059, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1063,1064,
&end
#
# 68 HIS HB- 68 HIS HN 4.50 (# 39:10 Unique 2.59, 3.37 A)
&rst
ixpk= 39, nxpk= 10, iat= -1,1059, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1063,1064,
&end
#
# 0 AMB 10-2:40 68 HIS HN 4.50 (# 40:10 Single Ambig)
&rst
ixpk= 40, nxpk= 10, iat= -1,1059, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 69 VAL HA 70 GLU HN 2.80 (# 41:10 Unique 2.14, 2.17 A)
&rst
ixpk= 41, nxpk= 10, iat=1078,1092, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 45 LYS HA 70 GLU HN 4.50 (# 42:10 Unique 2.30, 3.94 A)
&rst
ixpk= 42, nxpk= 10, iat= 714,1092, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 70 GLU HA 70 GLU HN 4.50 (# 43:10 Unique 2.88, 2.93 A)
&rst
ixpk= 43, nxpk= 10, iat=1094,1092, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:44 70 GLU HN 4.50 (# 44:10 Single Ambig)
&rst
ixpk= 44, nxpk= 10, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1099,1100,1099,1100,
&end
#
# 0 AMB 10-2:45 70 GLU HN 3.50 (# 45:10 Single Ambig)
&rst
ixpk= 45, nxpk= 10, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1096,1097,1080,
&end
#
# 70 GLU HB- 70 GLU HN 4.50 (# 46:10 Unique 2.15, 2.75 A)
&rst
ixpk= 46, nxpk= 10, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1096,1097,
&end
#
# 0 AMB 10-2:47 70 GLU HN 3.50 (# 47:10 Single Ambig)
&rst
ixpk= 47, nxpk= 10, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 21 ALA HA 4 TRP HN 5.50 (# 48:10 Unique 3.01, 3.57 A)
&rst
ixpk= 48, nxpk= 10, iat= 332, 46, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 4 TRP HD1 4 TRP HN 4.50 (# 49:10 Unique 2.51, 3.18 A)
&rst
ixpk= 49, nxpk= 10, iat= 54, 46, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 3 HIS HA 4 TRP HN 2.80 (# 50:10 Unique 2.16, 2.23 A)
&rst
ixpk= 50, nxpk= 10, iat= 31, 46, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 4 TRP HA 4 TRP HN 4.50 (# 51:10 Unique 2.86, 2.89 A)
&rst
ixpk= 51, nxpk= 10, iat= 48, 46, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 4 TRP HB+ 4 TRP HN 3.50 (# 52:10 Unique 2.21, 2.92 A)
&rst
ixpk= 52, nxpk= 10, iat= -1, 46, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 50, 51,
&end
#
# 24 ILE HG1- 24 ILE HN 5.50 (# 53:10 Unique 2.53, 3.58 A)
&rst
ixpk= 53, nxpk= 10, iat= -1, 373, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 383, 384,
&end
#
# 23 ASN HD2- 24 ILE HN 4.50 (# 54:10 Unique 3.05, 4.06 A)
&rst
ixpk= 54, nxpk= 10, iat= -1, 373, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 368, 369,
&end
#
# 7 VAL HA 24 ILE HN 5.50 (# 55:10 Unique 3.99, 4.52 A)
&rst
ixpk= 55, nxpk= 10, iat= 103, 373, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 ASN HA 24 ILE HN 2.80 (# 56:10 Unique 2.14, 2.20 A)
&rst
ixpk= 56, nxpk= 10, iat= 361, 373, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 24 ILE HA 24 ILE HN 4.50 (# 57:10 Unique 2.91, 2.92 A)
&rst
ixpk= 57, nxpk= 10, iat= 375, 373, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:58 24 ILE HN 4.50 (# 58:10 Single Ambig)
&rst
ixpk= 58, nxpk= 10, iat= -1, 373, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 377, 350, 351,
&end
#
# 5 ILE QG2 24 ILE HN 4.50 (# 59:10 Unique 3.05, 4.60 A)
&rst
ixpk= 59, nxpk= 10, iat= -1, 373, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 76, 77, 78,
&end
#
# 23 ASN HA 23 ASN HN 4.50 (# 60:10 Unique 2.85, 2.91 A)
&rst
ixpk= 60, nxpk= 10, iat= 361, 359, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 ILE HA 23 ASN HN 2.80 (# 61:10 Unique 2.14, 2.26 A)
&rst
ixpk= 61, nxpk= 10, iat= 342, 359, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 23 ASN HB+ 23 ASN HN 3.50 (# 62:10 Unique 2.23, 2.66 A)
&rst
ixpk= 62, nxpk= 10, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 363, 364,
&end
#
# 22 ILE HB 23 ASN HN 4.50 (# 63:10 Unique 3.71, 4.03 A)
&rst
ixpk= 63, nxpk= 10, iat= 344, 359, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:64 23 ASN HN 4.50 (# 64:10 Single Ambig)
&rst
ixpk= 64, nxpk= 10, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 346, 347, 348, 353, 354, 355,
&end
#
# 23 ASN HB- 23 ASN HN 3.50 (# 65:10 Unique 2.23, 2.66 A)
&rst
ixpk= 65, nxpk= 10, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 363, 364,
&end
#
# 84 LYS HA 84 LYS HN 4.50 (# 66:10 Unique 2.87, 2.92 A)
&rst
ixpk= 66, nxpk= 10, iat=1298,1296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 83 VAL HA 84 LYS HN 2.80 (# 67:10 Unique 2.14, 2.24 A)
&rst
ixpk= 67, nxpk= 10, iat=1282,1296, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 84 LYS HB+ 84 LYS HN 4.50 (# 68:10 Unique 2.18, 2.90 A)
&rst
ixpk= 68, nxpk= 10, iat= -1,1296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1300,1301,
&end
#
# 0 AMB 10-2:69 84 LYS HN 3.50 (# 69:10 Single Ambig)
&rst
ixpk= 69, nxpk= 10, iat= -1,1296, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1300,1301,1306,1307,1306,1307,
&end
#
# 0 AMB 10-2:70 84 LYS HN 3.50 (# 70:10 Single Ambig)
&rst
ixpk= 70, nxpk= 10, iat= -1,1296, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1284,1303,1304,1303,1304,
&end
#
# 83 VAL MGY 84 LYS HN 4.50 (# 71:10 Unique 3.72, 4.71 A)
&rst
ixpk= 71, nxpk= 10, iat= -1,1296, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 83 VAL MGX 84 LYS HN 4.50 (# 72:10 Unique 3.72, 4.71 A)
&rst
ixpk= 72, nxpk= 10, iat= -1,1296, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 35 THR HA 36 ALA HN 4.50 (# 73:10 Unique 2.68, 3.35 A)
&rst
ixpk= 73, nxpk= 10, iat= 570, 582, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 ILE HA 36 ALA HN 4.50 (# 74:10 Unique 2.83, 3.72 A)
&rst
ixpk= 74, nxpk= 10, iat= 541, 582, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 37 VAL HN 36 ALA HN 2.80 (# 75:10 Unique 1.89, 2.32 A)
&rst
ixpk= 75, nxpk= 10, iat= 592, 582, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 36 ALA HA 36 ALA HN 3.50 (# 76:10 Unique 2.81, 2.88 A)
&rst
ixpk= 76, nxpk= 10, iat= 584, 582, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 ALA MB 36 ALA HN 2.80 (# 77:10 Unique 2.11, 3.04 A)
&rst
ixpk= 77, nxpk= 10, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 586, 587, 588,
&end
#
# 41 ASN HN 40 LYS HN 4.50 (# 78:10 Unique 1.89, 2.81 A)
&rst
ixpk= 78, nxpk= 10, iat= 656, 634, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 ASP HA 40 LYS HN 2.80 (# 79:10 Unique 2.14, 2.22 A)
&rst
ixpk= 79, nxpk= 10, iat= 624, 634, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 40 LYS HA 40 LYS HN 4.50 (# 80:10 Unique 2.81, 2.91 A)
&rst
ixpk= 80, nxpk= 10, iat= 636, 634, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 LYS HB+ 40 LYS HN 4.50 (# 81:10 Unique 2.52, 3.24 A)
&rst
ixpk= 81, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 638, 639,
&end
#
# 0 AMB 10-2:82 40 LYS HN 3.50 (# 82:10 Single Ambig)
&rst
ixpk= 82, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 641, 642, 644, 645,
&end
#
# 40 LYS HG- 40 LYS HN 4.50 (# 83:10 Unique 1.95, 2.69 A)
&rst
ixpk= 83, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 641, 642,
&end
#
# 40 LYS HB- 40 LYS HN 3.50 (# 84:10 Unique 2.52, 3.24 A)
&rst
ixpk= 84, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 638, 639,
&end
#
# 46 VAL HA 5 ILE HN 4.50 (# 85:10 Unique 4.26, 4.47 A)
&rst
ixpk= 85, nxpk= 10, iat= 736, 70, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 4 TRP HA 5 ILE HN 2.80 (# 86:10 Unique 2.14, 2.18 A)
&rst
ixpk= 86, nxpk= 10, iat= 48, 70, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 5 ILE HB 5 ILE HN 3.50 (# 87:10 Unique 2.55, 2.60 A)
&rst
ixpk= 87, nxpk= 10, iat= 74, 70, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:88 5 ILE HN 4.50 (# 88:10 Single Ambig)
&rst
ixpk= 88, nxpk= 10, iat= -1, 70, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 80, 81, 80, 81,
&end
#
# 0 AMB 10-2:89 5 ILE HN 4.50 (# 89:10 Single Ambig)
&rst
ixpk= 89, nxpk= 10, iat= -1, 70, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 702, 703, 704, 706, 707, 708, 76, 77, 78,
&end
#
# 62 SER HN 63 GLU HN 3.50 (# 91:10 Unique 2.18, 2.52 A)
&rst
ixpk= 91, nxpk= 10, iat= 974, 985, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 64 MET HN 63 GLU HN 3.50 (# 92:10 Unique 2.25, 2.62 A)
&rst
ixpk= 92, nxpk= 10, iat=1000, 985, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:93 63 GLU HN 2.80 (# 93:10 Single Ambig)
&rst
ixpk= 93, nxpk= 10, iat= -1, 985, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 978, 979, 987,
&end
#
# 60 ILE HA 63 GLU HN 4.50 (# 94:10 Unique 3.01, 3.27 A)
&rst
ixpk= 94, nxpk= 10, iat= 938, 985, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 63 GLU HG+ 63 GLU HN 4.50 (# 95:10 Unique 3.08, 4.22 A)
&rst
ixpk= 95, nxpk= 10, iat= -1, 985, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 992, 993,
&end
#
# 0 AMB 10-2:96 63 GLU HN 2.80 (# 96:10 Single Ambig)
&rst
ixpk= 96, nxpk= 10, iat= -1, 985, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 989, 990, 989, 990,
&end
#
# 5 ILE HA 5 ILE HN 4.50 (# 97:10 Unique 2.94, 2.95 A)
&rst
ixpk= 97, nxpk= 10, iat= 72, 70, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 62 SER HA 63 GLU HN 5.50 (# 98:10 Unique 3.44, 3.50 A)
&rst
ixpk= 98, nxpk= 10, iat= 976, 985, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 76 LYS HN 75 LEU HN 4.50 (# 99:10 Unique 2.01, 2.99 A)
&rst
ixpk= 99, nxpk= 10, iat=1164,1145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 ASN HA 75 LEU HN 4.50 (# 100:10 Unique 2.85, 3.80 A)
&rst
ixpk= 100, nxpk= 10, iat= 784,1145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 GLY HA+ 75 LEU HN 2.80 (# 101:10 Unique 2.14, 2.66 A)
&rst
ixpk= 101, nxpk= 10, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1140,1141,
&end
#
# 75 LEU HA 75 LEU HN 3.50 (# 102:10 Unique 2.76, 2.84 A)
&rst
ixpk= 102, nxpk= 10, iat=1147,1145, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 GLY HA- 75 LEU HN 3.50 (# 103:10 Unique 2.14, 2.66 A)
&rst
ixpk= 103, nxpk= 10, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1140,1141,
&end
#
# 75 LEU HB+ 75 LEU HN 3.50 (# 104:10 Unique 2.04, 2.64 A)
&rst
ixpk= 104, nxpk= 10, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1149,1150,
&end
#
# 75 LEU HB- 75 LEU HN 2.80 (# 105:10 Unique 2.04, 2.64 A)
&rst
ixpk= 105, nxpk= 10, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1149,1150,
&end
#
# 35 THR HN 34 ALA HN 3.50 (# 106:10 Unique 2.26, 2.52 A)
&rst
ixpk= 106, nxpk= 10, iat= 568, 558, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 ALA HA 34 ALA HN 3.50 (# 107:10 Unique 2.78, 2.89 A)
&rst
ixpk= 107, nxpk= 10, iat= 560, 558, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 ILE HA 34 ALA HN 4.50 (# 108:10 Unique 3.41, 3.46 A)
&rst
ixpk= 108, nxpk= 10, iat= 541, 558, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 ALA MB 34 ALA HN 2.80 (# 109:10 Unique 2.16, 2.94 A)
&rst
ixpk= 109, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 562, 563, 564,
&end
#
# 33 ILE QG2 34 ALA HN 2.80 (# 110:10 Unique 2.00, 3.12 A)
&rst
ixpk= 110, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 545, 546, 547,
&end
#
# 27 LYS HN 26 LEU HN 4.50 (# 111:10 Unique 2.56, 2.72 A)
&rst
ixpk= 111, nxpk= 10, iat= 425, 406, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 VAL HA 26 LEU HN 4.50 (# 112:10 Unique 2.78, 3.55 A)
&rst
ixpk= 112, nxpk= 10, iat= 103, 406, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 PRO HA 26 LEU HN 2.80 (# 113:10 Unique 2.25, 2.32 A)
&rst
ixpk= 113, nxpk= 10, iat= 402, 406, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:114 26 LEU HN 4.50 (# 114:10 Single Ambig)
&rst
ixpk= 114, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 844, 845, 105,
&end
#
# 25 PRO HB+ 26 LEU HN 4.50 (# 115:10 Unique 2.42, 3.22 A)
&rst
ixpk= 115, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 399, 400,
&end
#
# 26 LEU HB+ 26 LEU HN 3.50 (# 116:10 Unique 2.29, 2.57 A)
&rst
ixpk= 116, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 410, 411,
&end
#
# 0 AMB 10-2:117 26 LEU HN 4.50 (# 117:10 Single Ambig)
&rst
ixpk= 117, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 413, 399, 400,
&end
#
# 26 LEU HB- 26 LEU HN 3.50 (# 118:10 Unique 2.29, 2.57 A)
&rst
ixpk= 118, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 410, 411,
&end
#
# 26 LEU MDY 26 LEU HN 4.50 (# 119:10 Unique 2.25, 5.00 A)
&rst
ixpk= 119, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 415, 416, 417, 419, 420, 421,
&end
#
# 7 VAL MGY 26 LEU HN 4.50 (# 120:10 Unique 2.08, 4.84 A)
&rst
ixpk= 120, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 77 ASP HN 78 ILE HN 3.50 (# 121:10 Unique 1.90, 2.25 A)
&rst
ixpk= 121, nxpk= 10, iat=1186,1198, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 78 ILE HA 78 ILE HN 4.50 (# 122:10 Unique 2.75, 2.80 A)
&rst
ixpk= 122, nxpk= 10, iat=1200,1198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 ILE HG1- 78 ILE HN 3.50 (# 123:10 Unique 1.94, 2.81 A)
&rst
ixpk= 123, nxpk= 10, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1208,1209,
&end
#
# 78 ILE HB 78 ILE HN 2.80 (# 124:10 Unique 2.51, 2.59 A)
&rst
ixpk= 124, nxpk= 10, iat=1202,1198, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 78 ILE HG1+ 78 ILE HN 4.50 (# 125:10 Unique 1.94, 2.81 A)
&rst
ixpk= 125, nxpk= 10, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1208,1209,
&end
#
# 78 ILE QG2 78 ILE HN 4.50 (# 126:10 Unique 4.38, 4.53 A)
&rst
ixpk= 126, nxpk= 10, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1204,1205,1206,
&end
#
# 19 GLN HA 21 ALA HN 5.50 (# 127:10 Unique 3.37, 4.19 A)
&rst
ixpk= 127, nxpk= 10, iat= 308, 330, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 ALA MB 21 ALA HN 2.80 (# 128:10 Unique 2.48, 3.24 A)
&rst
ixpk= 128, nxpk= 10, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 334, 335, 336,
&end
#
# 18 VAL MGX 21 ALA HN 5.50 (# 129:10 Unique 3.97, 7.38 A)
&rst
ixpk= 129, nxpk= 10, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 10-2:132 0 AMB 10-1:132 3.50 (# 132:10 Double Ambig)
&rst
ixpk= 132, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
igr1= 124, 125, 124, 125, 334, 335, 336,
igr2= 782, 340,
&end
#
# 21 ALA HA 22 ILE HN 3.50 (# 133:10 Unique 2.16, 2.44 A)
&rst
ixpk= 133, nxpk= 10, iat= 332, 340, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 ILE HG1- 22 ILE HN 4.50 (# 134:10 Unique 2.13, 4.44 A)
&rst
ixpk= 134, nxpk= 10, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 350, 351,
&end
#
# 22 ILE HG1+ 22 ILE HN 4.50 (# 135:10 Unique 2.13, 4.44 A)
&rst
ixpk= 135, nxpk= 10, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 350, 351,
&end
#
# 22 ILE QG2 22 ILE HN 4.50 (# 136:10 Unique 2.05, 3.14 A)
&rst
ixpk= 136, nxpk= 10, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 346, 347, 348,
&end
#
# 22 ILE HA 22 ILE HN 4.50 (# 137:10 Unique 2.76, 2.92 A)
&rst
ixpk= 137, nxpk= 10, iat= 342, 340, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 GLY HN 21 ALA HN 4.50 (# 138:10 Unique 1.94, 2.58 A)
&rst
ixpk= 138, nxpk= 10, iat= 323, 330, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:139 21 ALA HN 4.50 (# 139:10 Single Ambig)
&rst
ixpk= 139, nxpk= 10, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 286, 318, 319,
&end
#
# 21 ALA HA 21 ALA HN 4.50 (# 140:10 Unique 2.79, 2.92 A)
&rst
ixpk= 140, nxpk= 10, iat= 332, 330, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 82 LYS HA 82 LYS HN 4.50 (# 142:10 Unique 2.80, 2.89 A)
&rst
ixpk= 142, nxpk= 10, iat=1260,1258, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 PRO HA 82 LYS HN 2.80 (# 143:10 Unique 2.28, 2.38 A)
&rst
ixpk= 143, nxpk= 10, iat=1254,1258, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 81 PRO HB+ 82 LYS HN 4.50 (# 144:10 Unique 2.07, 3.26 A)
&rst
ixpk= 144, nxpk= 10, iat= -1,1258, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1251,1252,
&end
#
# 81 PRO HB- 82 LYS HN 4.50 (# 145:10 Unique 2.07, 3.26 A)
&rst
ixpk= 145, nxpk= 10, iat= -1,1258, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1251,1252,
&end
#
# 82 LYS HD+ 82 LYS HN 4.50 (# 146:10 Unique 2.20, 3.08 A)
&rst
ixpk= 146, nxpk= 10, iat= -1,1258, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1268,1269,
&end
#
# 82 LYS HG- 82 LYS HN 5.50 (# 147:10 Unique 2.24, 3.80 A)
&rst
ixpk= 147, nxpk= 10, iat= -1,1258, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1265,1266,
&end
#
# 48 CYS HB+ 49 ASN HN 4.50 (# 148:10 Unique 1.91, 2.77 A)
&rst
ixpk= 148, nxpk= 10, iat= -1, 782, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 775, 776,
&end
#
# 0 AMB 10-2:149 49 ASN HN 4.50 (# 149:10 Single Ambig)
&rst
ixpk= 149, nxpk= 10, iat= -1, 782, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 791, 792,1145,
&end
#
# 48 CYS HB- 49 ASN HN 3.50 (# 150:10 Unique 1.91, 2.77 A)
&rst
ixpk= 150, nxpk= 10, iat= -1, 782, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 775, 776,
&end
#
# 49 ASN HB+ 49 ASN HN 3.50 (# 151:10 Unique 2.10, 2.64 A)
&rst
ixpk= 151, nxpk= 10, iat= -1, 782, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 786, 787,
&end
#
# 41 ASN HN 42 ASP HN 2.80 (# 152:10 Unique 1.89, 2.54 A)
&rst
ixpk= 152, nxpk= 10, iat= 656, 670, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 41 ASN HA 42 ASP HN 4.50 (# 153:10 Unique 2.45, 2.99 A)
&rst
ixpk= 153, nxpk= 10, iat= 658, 670, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 ASP HA 42 ASP HN 3.50 (# 154:10 Unique 2.76, 2.87 A)
&rst
ixpk= 154, nxpk= 10, iat= 672, 670, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 40 LYS HA 42 ASP HN 5.50 (# 155:10 Unique 3.42, 4.05 A)
&rst
ixpk= 155, nxpk= 10, iat= 636, 670, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:156 42 ASP HN 2.80 (# 156:10 Single Ambig)
&rst
ixpk= 156, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 626, 627, 674, 675,1063,1064,
&end
#
# 42 ASP HB- 42 ASP HN 3.50 (# 157:10 Unique 2.10, 3.06 A)
&rst
ixpk= 157, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 674, 675,
&end
#
# 37 VAL MGY 42 ASP HN 5.50 (# 158:10 Unique 4.52, 6.54 A)
&rst
ixpk= 158, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 598, 599, 600, 602, 603, 604,
&end
#
# 57 ALA HN 56 GLN HN 3.50 (# 159:10 Unique 2.25, 2.59 A)
&rst
ixpk= 159, nxpk= 10, iat= 889, 872, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 52 ARG HA 56 GLN HN 4.50 (# 160:10 Unique 3.16, 3.65 A)
&rst
ixpk= 160, nxpk= 10, iat= 815, 872, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 56 GLN HA 56 GLN HN 3.50 (# 161:10 Unique 2.76, 2.82 A)
&rst
ixpk= 161, nxpk= 10, iat= 874, 872, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:162 56 GLN HN 3.50 (# 162:10 Single Ambig)
&rst
ixpk= 162, nxpk= 10, iat= -1, 872, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 879, 880, 879, 880,
&end
#
# 56 GLN HB+ 56 GLN HN 3.50 (# 163:10 Unique 2.11, 2.78 A)
&rst
ixpk= 163, nxpk= 10, iat= -1, 872, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 876, 877,
&end
#
# 56 GLN HB- 56 GLN HN 4.50 (# 164:10 Unique 2.11, 2.78 A)
&rst
ixpk= 164, nxpk= 10, iat= -1, 872, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 876, 877,
&end
#
# 7 VAL HN 8 ARG HN 4.50 (# 165:10 Unique 2.08, 2.44 A)
&rst
ixpk= 165, nxpk= 10, iat= 101, 117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 VAL HA 8 ARG HN 5.50 (# 166:10 Unique 3.18, 3.33 A)
&rst
ixpk= 166, nxpk= 10, iat= 103, 117, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 8 ARG HA 8 ARG HN 4.50 (# 167:10 Unique 2.74, 2.78 A)
&rst
ixpk= 167, nxpk= 10, iat= 119, 117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:168 8 ARG HN 4.50 (# 168:10 Single Ambig)
&rst
ixpk= 168, nxpk= 10, iat= -1, 117, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 124, 125, 124, 125,
&end
#
# 32 ARG HA 33 ILE HN 5.50 (# 169:10 Unique 2.43, 3.23 A)
&rst
ixpk= 169, nxpk= 10, iat= 517, 539, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:170 33 ILE HN 4.50 (# 170:10 Single Ambig)
&rst
ixpk= 170, nxpk= 10, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 379, 380, 381, 386, 387, 388,
&end
#
# 32 ARG HN 33 ILE HN 3.50 (# 171:10 Unique 1.92, 2.24 A)
&rst
ixpk= 171, nxpk= 10, iat= 515, 539, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:172 33 ILE HN 2.80 (# 172:10 Single Ambig)
&rst
ixpk= 172, nxpk= 10, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 543, 519, 520,
&end
#
# 33 ILE QG2 33 ILE HN 2.80 (# 173:10 Unique 1.97, 3.09 A)
&rst
ixpk= 173, nxpk= 10, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 545, 546, 547,
&end
#
# 68 HIS HN 69 VAL HN 5.50 (# 174:10 Unique 2.30, 3.28 A)
&rst
ixpk= 174, nxpk= 10, iat=1059,1076, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 69 VAL HA 69 VAL HN 4.50 (# 175:10 Unique 2.89, 2.93 A)
&rst
ixpk= 175, nxpk= 10, iat=1078,1076, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 HIS HA 69 VAL HN 2.80 (# 176:10 Unique 2.14, 2.46 A)
&rst
ixpk= 176, nxpk= 10, iat=1061,1076, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 69 VAL HB 69 VAL HN 3.50 (# 177:10 Unique 2.51, 2.79 A)
&rst
ixpk= 177, nxpk= 10, iat=1080,1076, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:178 69 VAL HN 3.50 (# 178:10 Single Ambig)
&rst
ixpk= 178, nxpk= 10, iat= -1,1076, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 8 ARG HB+ 8 ARG HN 4.50 (# 179:10 Unique 2.17, 2.89 A)
&rst
ixpk= 179, nxpk= 10, iat= -1, 117, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 121, 122,
&end
#
# 8 ARG HB- 8 ARG HN 3.50 (# 180:10 Unique 2.17, 2.89 A)
&rst
ixpk= 180, nxpk= 10, iat= -1, 117, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 121, 122,
&end
#
# 34 ALA HN 33 ILE HN 4.50 (# 181:10 Unique 1.90, 2.31 A)
&rst
ixpk= 181, nxpk= 10, iat= 558, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 VAL HA 33 ILE HN 4.50 (# 182:10 Unique 3.06, 3.91 A)
&rst
ixpk= 182, nxpk= 10, iat= 464, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 ARG HB- 33 ILE HN 4.50 (# 183:10 Unique 2.44, 3.63 A)
&rst
ixpk= 183, nxpk= 10, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 519, 520,
&end
#
# 33 ILE HA 33 ILE HN 3.50 (# 184:10 Unique 2.76, 2.87 A)
&rst
ixpk= 184, nxpk= 10, iat= 541, 539, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 52 ARG HA 52 ARG HN 4.50 (# 185:10 Unique 2.88, 2.92 A)
&rst
ixpk= 185, nxpk= 10, iat= 815, 813, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:186 52 ARG HN 3.50 (# 186:10 Single Ambig)
&rst
ixpk= 186, nxpk= 10, iat= -1, 813, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 817, 818, 817, 818,
&end
#
# 58 LYS HN 57 ALA HN 3.50 (# 187:10 Unique 2.17, 2.29 A)
&rst
ixpk= 187, nxpk= 10, iat= 899, 889, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 56 GLN HN 57 ALA HN 3.50 (# 188:10 Unique 2.25, 2.59 A)
&rst
ixpk= 188, nxpk= 10, iat= 872, 889, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 56 GLN HA 57 ALA HN 4.50 (# 189:10 Unique 3.40, 3.47 A)
&rst
ixpk= 189, nxpk= 10, iat= 874, 889, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:190 57 ALA HN 2.80 (# 190:10 Single Ambig)
&rst
ixpk= 190, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 891, 856,
&end
#
# 56 GLN HB+ 57 ALA HN 3.50 (# 191:10 Unique 2.55, 3.38 A)
&rst
ixpk= 191, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 876, 877,
&end
#
# 56 GLN HB- 57 ALA HN 4.50 (# 192:10 Unique 2.55, 3.38 A)
&rst
ixpk= 192, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 876, 877,
&end
#
# 57 ALA MB 57 ALA HN 2.80 (# 193:10 Unique 2.19, 2.96 A)
&rst
ixpk= 193, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 893, 894, 895,
&end
#
# 26 LEU MDY 57 ALA HN 3.50 (# 194:10 Unique 2.38, 4.61 A)
&rst
ixpk= 194, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 10-2:195 3 HIS HN 4.50 (# 195:10 Single Ambig)
&rst
ixpk= 195, nxpk= 10, iat= -1, 29, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 18, 19, 18, 19,
&end
#
# 30 LYS HN 29 VAL HN 3.50 (# 196:10 Unique 2.20, 2.24 A)
&rst
ixpk= 196, nxpk= 10, iat= 478, 462, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 GLU HN 29 VAL HN 2.80 (# 197:10 Unique 1.89, 2.48 A)
&rst
ixpk= 197, nxpk= 10, iat= 447, 462, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 28 GLU HA 29 VAL HN 4.50 (# 198:10 Unique 2.65, 2.82 A)
&rst
ixpk= 198, nxpk= 10, iat= 449, 462, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 LEU HA 29 VAL HN 4.50 (# 199:10 Unique 2.93, 3.26 A)
&rst
ixpk= 199, nxpk= 10, iat= 408, 462, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 VAL HA 29 VAL HN 3.50 (# 200:10 Unique 2.89, 2.92 A)
&rst
ixpk= 200, nxpk= 10, iat= 464, 462, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 VAL HB 29 VAL HN 2.80 (# 201:10 Unique 2.37, 2.68 A)
&rst
ixpk= 201, nxpk= 10, iat= 466, 462, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:202 29 VAL HN 4.50 (# 202:10 Single Ambig)
&rst
ixpk= 202, nxpk= 10, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 451, 452, 482, 483, 429, 430,
&end
#
# 29 VAL MGY 29 VAL HN 2.80 (# 203:10 Unique 1.94, 3.81 A)
&rst
ixpk= 203, nxpk= 10, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL MGX 29 VAL HN 4.50 (# 204:10 Unique 1.94, 3.81 A)
&rst
ixpk= 204, nxpk= 10, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 468, 469, 470, 472, 473, 474,
&end
#
# 24 ILE QG2 29 VAL HN 4.50 (# 205:10 Unique 3.83, 5.15 A)
&rst
ixpk= 205, nxpk= 10, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 379, 380, 381,
&end
#
# 71 ASN HA 71 ASN HN 4.50 (# 206:10 Unique 2.79, 2.84 A)
&rst
ixpk= 206, nxpk= 10, iat=1109,1107, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:207 71 ASN HN 4.50 (# 207:10 Single Ambig)
&rst
ixpk= 207, nxpk= 10, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1096,1097,1080,
&end
#
# 3 HIS HD2 3 HIS HN 5.50 (# 208:10 Unique 2.18, 2.69 A)
&rst
ixpk= 208, nxpk= 10, iat= 42, 29, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 2 GLU HA 3 HIS HN 2.80 (# 209:10 Unique 2.14, 2.18 A)
&rst
ixpk= 209, nxpk= 10, iat= 16, 29, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 44 VAL HA 3 HIS HN 4.50 (# 210:10 Unique 3.60, 4.24 A)
&rst
ixpk= 210, nxpk= 10, iat= 698, 29, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 3 HIS HB- 3 HIS HN 4.50 (# 211:10 Unique 2.61, 3.27 A)
&rst
ixpk= 211, nxpk= 10, iat= -1, 29, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 33, 34,
&end
#
# 18 VAL HA 18 VAL HN 4.50 (# 212:10 Unique 2.28, 2.77 A)
&rst
ixpk= 212, nxpk= 10, iat= 292, 290, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 HIS HB+ 18 VAL HN 5.50 (# 213:10 Unique 2.02, 3.32 A)
&rst
ixpk= 213, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 277, 278,
&end
#
# 17 HIS HB- 18 VAL HN 4.50 (# 214:10 Unique 2.02, 3.32 A)
&rst
ixpk= 214, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 277, 278,
&end
#
# 0 AMB 10-2:215 18 VAL HN 4.50 (# 215:10 Single Ambig)
&rst
ixpk= 215, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 265, 266, 334, 335, 336,1208,1209,
&end
#
# 0 AMB 10-2:216 18 VAL HN 3.50 (# 216:10 Single Ambig)
&rst
ixpk= 216, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 294,1262,1263,
&end
#
# 18 VAL MGY 18 VAL HN 3.50 (# 217:10 Unique 2.04, 3.78 A)
&rst
ixpk= 217, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 296, 297, 298, 300, 301, 302,
&end
#
# 17 HIS HA 18 VAL HN 3.50 (# 218:10 Unique 2.29, 2.52 A)
&rst
ixpk= 218, nxpk= 10, iat= 275, 290, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 70 GLU HA 71 ASN HN 2.80 (# 219:10 Unique 2.14, 2.19 A)
&rst
ixpk= 219, nxpk= 10, iat=1094,1107, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 71 ASN HB+ 71 ASN HN 3.50 (# 220:10 Unique 2.17, 2.61 A)
&rst
ixpk= 220, nxpk= 10, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1111,1112,
&end
#
# 71 ASN HB- 71 ASN HN 4.50 (# 221:10 Unique 2.17, 2.61 A)
&rst
ixpk= 221, nxpk= 10, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1111,1112,
&end
#
# 0 AMB 10-2:222 71 ASN HN 5.50 (# 222:10 Single Ambig)
&rst
ixpk= 222, nxpk= 10, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 909, 910,1096,1097,
&end
#
# 58 LYS HD- 71 ASN HN 4.50 (# 223:10 Unique 2.90, 4.74 A)
&rst
ixpk= 223, nxpk= 10, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 909, 910,
&end
#
# 0 AMB 10-2:224 66 TYR HN 3.50 (# 224:10 Single Ambig)
&rst
ixpk= 224, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 976,1026,
&end
#
# 65 GLY HN 66 TYR HN 2.80 (# 225:10 Unique 1.89, 2.20 A)
&rst
ixpk= 225, nxpk= 10, iat=1017,1024, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 66 TYR HD 66 TYR HN 2.80 (# 226:10 Unique 2.12, 3.55 A)
&rst
ixpk= 226, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1032,1041,
&end
#
# 65 GLY HA+ 66 TYR HN 5.50 (# 227:10 Unique 2.64, 3.20 A)
&rst
ixpk= 227, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1019,1020,
&end
#
# 65 GLY HA- 66 TYR HN 4.50 (# 228:10 Unique 2.64, 3.20 A)
&rst
ixpk= 228, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1019,1020,
&end
#
# 66 TYR HB+ 66 TYR HN 4.50 (# 229:10 Unique 2.58, 3.20 A)
&rst
ixpk= 229, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1028,1029,
&end
#
# 66 TYR HB- 66 TYR HN 2.80 (# 230:10 Unique 2.58, 3.20 A)
&rst
ixpk= 230, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1028,1029,
&end
#
# 0 AMB 10-2:231 60 ILE HN 4.50 (# 231:10 Single Ambig)
&rst
ixpk= 231, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 923, 957,
&end
#
# 61 LEU HN 60 ILE HN 3.50 (# 232:10 Unique 2.45, 2.65 A)
&rst
ixpk= 232, nxpk= 10, iat= 955, 936, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 GLU HN 60 ILE HN 3.50 (# 233:10 Unique 2.30, 2.66 A)
&rst
ixpk= 233, nxpk= 10, iat= 921, 936, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 57 ALA HA 60 ILE HN 4.50 (# 234:10 Unique 3.12, 3.40 A)
&rst
ixpk= 234, nxpk= 10, iat= 891, 936, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 ILE HA 60 ILE HN 3.50 (# 235:10 Unique 2.76, 2.81 A)
&rst
ixpk= 235, nxpk= 10, iat= 938, 936, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:236 60 ILE HN 3.50 (# 236:10 Single Ambig)
&rst
ixpk= 236, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 925, 926, 925, 926,
&end
#
# 60 ILE HG1- 60 ILE HN 2.80 (# 237:10 Unique 1.93, 2.71 A)
&rst
ixpk= 237, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 946, 947,
&end
#
# 60 ILE HG1+ 60 ILE HN 4.50 (# 238:10 Unique 1.93, 2.71 A)
&rst
ixpk= 238, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 946, 947,
&end
#
# 60 ILE QD1 60 ILE HN 3.50 (# 239:10 Unique 3.82, 4.33 A)
&rst
ixpk= 239, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 949, 950, 951,
&end
#
# 14 GLN HN 13 TYR HN 4.50 (# 240:10 Unique 2.65, 2.83 A)
&rst
ixpk= 240, nxpk= 10, iat= 224, 203, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 12 GLN HN 13 TYR HN 2.80 (# 241:10 Unique 2.17, 2.21 A)
&rst
ixpk= 241, nxpk= 10, iat= 186, 203, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 10 PRO HA 13 TYR HN 4.50 (# 242:10 Unique 3.45, 3.52 A)
&rst
ixpk= 242, nxpk= 10, iat= 167, 203, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 TYR HA 13 TYR HN 4.50 (# 243:10 Unique 2.75, 2.76 A)
&rst
ixpk= 243, nxpk= 10, iat= 205, 203, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 TYR HB+ 13 TYR HN 3.50 (# 244:10 Unique 2.07, 2.55 A)
&rst
ixpk= 244, nxpk= 10, iat= -1, 203, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 207, 208,
&end
#
# 13 TYR HB- 13 TYR HN 3.50 (# 245:10 Unique 2.07, 2.55 A)
&rst
ixpk= 245, nxpk= 10, iat= -1, 203, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 207, 208,
&end
#
# 0 AMB 10-2:246 13 TYR HN 4.50 (# 246:10 Single Ambig)
&rst
ixpk= 246, nxpk= 10, iat= -1, 203, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 190, 191, 121, 122, 245, 246,
&end
#
# 12 GLN HB- 13 TYR HN 3.50 (# 247:10 Unique 3.01, 3.62 A)
&rst
ixpk= 247, nxpk= 10, iat= -1, 203, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 190, 191,
&end
#
# 80 MET HG+ 80 MET HN 5.50 (# 248:10 Unique 2.34, 3.53 A)
&rst
ixpk= 248, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1234,1235,
&end
#
# 80 MET HB+ 80 MET HN 5.50 (# 249:10 Unique 2.16, 3.09 A)
&rst
ixpk= 249, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1231,1232,
&end
#
# 80 MET HA 80 MET HN 4.50 (# 250:10 Unique 2.76, 2.86 A)
&rst
ixpk= 250, nxpk= 10, iat=1229,1227, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 79 ALA HA 80 MET HN 3.50 (# 251:10 Unique 2.18, 3.06 A)
&rst
ixpk= 251, nxpk= 10, iat=1219,1227, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 82 LYS HE+ 80 MET HN 5.50 (# 252:10 Unique 3.42, 5.33 A)
&rst
ixpk= 252, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1271,1272,
&end
#
# 79 ALA MB 80 MET HN 4.50 (# 253:10 Unique 2.84, 4.05 A)
&rst
ixpk= 253, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1221,1222,1223,
&end
#
# 80 MET HB- 80 MET HN 4.50 (# 254:10 Unique 2.16, 3.09 A)
&rst
ixpk= 254, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1231,1232,
&end
#
# 78 ILE QG2 80 MET HN 3.50 (# 255:10 Unique 1.95, 3.04 A)
&rst
ixpk= 255, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1204,1205,1206,
&end
#
# 0 AMB 10-2:256 49 ASN HD2- 4.50 (# 256:10 Single Ambig)
&rst
ixpk= 256, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 782,1164,
igr2= 791, 792,
&end
#
# 50 ALA HN 49 ASN HD2- 3.50 (# 257:10 Unique 2.81, 3.93 A)
&rst
ixpk= 257, nxpk= 10, iat= 796, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 791, 792,
&end
#
# 75 LEU HB- 49 ASN HD2- 3.50 (# 259:10 Unique 3.14, 4.50 A)
&rst
ixpk= 259, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1149,1150,
igr2= 791, 792,
&end
#
# 60 ILE HN 59 GLU HN 3.50 (# 260:10 Unique 2.30, 2.66 A)
&rst
ixpk= 260, nxpk= 10, iat= 936, 921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 58 LYS HA 59 GLU HN 4.50 (# 261:10 Unique 3.41, 3.47 A)
&rst
ixpk= 261, nxpk= 10, iat= 901, 921, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 58 LYS HB- 59 GLU HN 4.50 (# 262:10 Unique 2.45, 3.37 A)
&rst
ixpk= 262, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 903, 904,
&end
#
# 0 AMB 10-2:263 2 GLU HN 3.50 (# 263:10 Single Ambig)
&rst
ixpk= 263, nxpk= 10, iat= -1, 14, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 18, 19, 18, 19,
&end
#
# 2 GLU HA 2 GLU HN 5.50 (# 264:10 Unique 2.91, 2.94 A)
&rst
ixpk= 264, nxpk= 10, iat= 16, 14, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 1 ALA HA 2 GLU HN 3.50 (# 265:10 Unique 2.14, 2.36 A)
&rst
ixpk= 265, nxpk= 10, iat= 6, 14, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 1 ALA MB 2 GLU HN 4.50 (# 266:10 Unique 2.59, 4.07 A)
&rst
ixpk= 266, nxpk= 10, iat= -1, 14, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 8, 9, 10,
&end
#
# 0 AMB 10-2:268 49 ASN HD2- 3.50 (# 268:10 Single Ambig)
&rst
ixpk= 268, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 786, 787, 786, 787,
igr2= 791, 792,
&end
#
# 58 LYS HN 59 GLU HN 3.50 (# 269:10 Unique 2.47, 2.65 A)
&rst
ixpk= 269, nxpk= 10, iat= 899, 921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:270 59 GLU HN 3.50 (# 270:10 Single Ambig)
&rst
ixpk= 270, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 923, 867, 868,
&end
#
# 59 GLU HG+ 59 GLU HN 4.50 (# 271:10 Unique 1.94, 3.40 A)
&rst
ixpk= 271, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 928, 929,
&end
#
# 0 AMB 10-2:272 59 GLU HN 2.80 (# 272:10 Single Ambig)
&rst
ixpk= 272, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 925, 926, 925, 926, 903, 904,
&end
#
# 11 GLU HA 14 GLN HN 4.50 (# 273:10 Unique 4.27, 4.47 A)
&rst
ixpk= 273, nxpk= 10, iat= 173, 224, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 TYR HB+ 14 GLN HN 4.50 (# 274:10 Unique 2.43, 3.30 A)
&rst
ixpk= 274, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 207, 208,
&end
#
# 0 AMB 10-2:275 14 GLN HN 3.50 (# 275:10 Single Ambig)
&rst
ixpk= 275, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 231, 232, 231, 232,
&end
#
# 12 GLN HN 14 GLN HN 4.50 (# 276:10 Unique 4.15, 4.42 A)
&rst
ixpk= 276, nxpk= 10, iat= 186, 224, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 GLN HN 14 GLN HN 3.50 (# 277:10 Unique 2.12, 2.84 A)
&rst
ixpk= 277, nxpk= 10, iat= 241, 224, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 14 GLN HA 14 GLN HN 3.50 (# 278:10 Unique 2.84, 2.91 A)
&rst
ixpk= 278, nxpk= 10, iat= 226, 224, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:279 14 GLN HN 4.50 (# 279:10 Single Ambig)
&rst
ixpk= 279, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 207, 208, 248, 249,
&end
#
# 0 AMB 10-2:280 14 GLN HN 2.80 (# 280:10 Single Ambig)
&rst
ixpk= 280, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 228, 229, 228, 229,
&end
#
# 19 GLN HN 83 VAL HN 5.50 (# 281:10 Unique 2.94, 3.77 A)
&rst
ixpk= 281, nxpk= 10, iat= 306,1280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 18 VAL HA 83 VAL HN 5.50 (# 282:10 Unique 3.21, 3.66 A)
&rst
ixpk= 282, nxpk= 10, iat= 292,1280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 17 HIS HN 83 VAL HN 4.50 (# 283:10 Unique 2.41, 3.76 A)
&rst
ixpk= 283, nxpk= 10, iat= 273,1280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:284 83 VAL HN 2.80 (# 284:10 Single Ambig)
&rst
ixpk= 284, nxpk= 10, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1260, 260,
&end
#
# 83 VAL HA 83 VAL HN 4.50 (# 285:10 Unique 2.90, 2.94 A)
&rst
ixpk= 285, nxpk= 10, iat=1282,1280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 82 LYS HB+ 83 VAL HN 2.80 (# 286:10 Unique 1.95, 2.61 A)
&rst
ixpk= 286, nxpk= 10, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1262,1263,
&end
#
# 82 LYS HB- 83 VAL HN 3.50 (# 287:10 Unique 1.95, 2.61 A)
&rst
ixpk= 287, nxpk= 10, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1262,1263,
&end
#
# 83 VAL MGX 83 VAL HN 3.50 (# 288:10 Unique 1.96, 3.42 A)
&rst
ixpk= 288, nxpk= 10, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 62 SER HN 61 LEU HN 3.50 (# 289:10 Unique 2.60, 2.74 A)
&rst
ixpk= 289, nxpk= 10, iat= 974, 955, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:290 61 LEU HN 4.50 (# 290:10 Single Ambig)
&rst
ixpk= 290, nxpk= 10, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 901, 891,
&end
#
# 60 ILE HA 61 LEU HN 5.50 (# 291:10 Unique 3.46, 3.50 A)
&rst
ixpk= 291, nxpk= 10, iat= 938, 955, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:292 61 LEU HN 2.80 (# 292:10 Single Ambig)
&rst
ixpk= 292, nxpk= 10, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 959, 960, 946, 947,
&end
#
# 61 LEU HG 61 LEU HN 3.50 (# 293:10 Unique 2.52, 2.83 A)
&rst
ixpk= 293, nxpk= 10, iat= 962, 955, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 61 LEU HB- 61 LEU HN 4.50 (# 294:10 Unique 2.09, 2.87 A)
&rst
ixpk= 294, nxpk= 10, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 959, 960,
&end
#
# 0 AMB 10-2:295 61 LEU HN 3.50 (# 295:10 Single Ambig)
&rst
ixpk= 295, nxpk= 10, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 949, 950, 951,1082,1083,1084,1086,1087,1088,1082,
1083,1084,1086,1087,1088,
&end
#
# 0 AMB 10-2:296 61 LEU HN 4.50 (# 296:10 Single Ambig)
&rst
ixpk= 296, nxpk= 10, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
969, 970,
&end
#
# 60 ILE HN 61 LEU HN 3.50 (# 297:10 Unique 2.45, 2.65 A)
&rst
ixpk= 297, nxpk= 10, iat= 936, 955, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 VAL MGY 83 VAL HN 4.50 (# 298:10 Unique 1.96, 3.42 A)
&rst
ixpk= 298, nxpk= 10, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 0 AMB 10-2:299 61 LEU HN 4.50 (# 299:10 Single Ambig)
&rst
ixpk= 299, nxpk= 10, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 957, 923,
&end
#
# 30 LYS HG- 30 LYS HN 5.50 (# 300:10 Unique 1.96, 3.75 A)
&rst
ixpk= 300, nxpk= 10, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 485, 486,
&end
#
# 37 VAL HA 39 ASP HN 5.50 (# 301:10 Unique 3.09, 3.25 A)
&rst
ixpk= 301, nxpk= 10, iat= 594, 622, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 PRO HD+ 39 ASP HN 4.50 (# 302:10 Unique 2.68, 3.34 A)
&rst
ixpk= 302, nxpk= 10, iat= -1, 622, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 609, 610,
&end
#
# 39 ASP HB+ 39 ASP HN 3.50 (# 303:10 Unique 2.17, 2.94 A)
&rst
ixpk= 303, nxpk= 10, iat= -1, 622, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 626, 627,
&end
#
# 0 AMB 10-2:304 39 ASP HN 3.50 (# 304:10 Single Ambig)
&rst
ixpk= 304, nxpk= 10, iat= -1, 622, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 626, 627, 615, 616,
&end
#
# 0 AMB 10-2:305 39 ASP HN 3.50 (# 305:10 Single Ambig)
&rst
ixpk= 305, nxpk= 10, iat= -1, 622, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 612, 613, 612, 613,
&end
#
# 39 ASP HA 39 ASP HN 4.50 (# 306:10 Unique 2.87, 2.92 A)
&rst
ixpk= 306, nxpk= 10, iat= 624, 622, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 37 VAL MGY 39 ASP HN 4.50 (# 307:10 Unique 2.41, 4.85 A)
&rst
ixpk= 307, nxpk= 10, iat= -1, 622, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 598, 599, 600, 602, 603, 604,
&end
#
# 0 AMB 10-2:308 58 LYS HN 3.50 (# 308:10 Single Ambig)
&rst
ixpk= 308, nxpk= 10, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 921, 872,
&end
#
# 0 AMB 10-2:309 58 LYS HN 3.50 (# 309:10 Single Ambig)
&rst
ixpk= 309, nxpk= 10, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 901, 856,
&end
#
# 58 LYS HB+ 58 LYS HN 3.50 (# 310:10 Unique 2.07, 2.63 A)
&rst
ixpk= 310, nxpk= 10, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 903, 904,
&end
#
# 58 LYS HB- 58 LYS HN 3.50 (# 311:10 Unique 2.07, 2.63 A)
&rst
ixpk= 311, nxpk= 10, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 903, 904,
&end
#
# 57 ALA MB 58 LYS HN 3.50 (# 312:10 Unique 2.39, 3.73 A)
&rst
ixpk= 312, nxpk= 10, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 893, 894, 895,
&end
#
# 0 AMB 10-2:313 58 LYS HN 5.50 (# 313:10 Single Ambig)
&rst
ixpk= 313, nxpk= 10, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 906, 907, 906, 907,
&end
#
# 0 AMB 10-2:314 58 LYS HN 4.50 (# 314:10 Single Ambig)
&rst
ixpk= 314, nxpk= 10, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 740, 741, 742, 744, 745, 746,1082,1083,1084,1086,
1087,1088,1082,1083,1084,1086,1087,1088, 415, 416,
417, 419, 420, 421,
&end
#
# 57 ALA HN 58 LYS HN 4.50 (# 315:10 Unique 2.17, 2.29 A)
&rst
ixpk= 315, nxpk= 10, iat= 889, 899, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 VAL HA 30 LYS HN 5.50 (# 316:10 Unique 3.36, 3.47 A)
&rst
ixpk= 316, nxpk= 10, iat= 464, 478, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 GLU HN 30 LYS HN 3.50 (# 317:10 Unique 2.45, 2.64 A)
&rst
ixpk= 317, nxpk= 10, iat= 500, 478, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 VAL HN 30 LYS HN 3.50 (# 318:10 Unique 2.20, 2.24 A)
&rst
ixpk= 318, nxpk= 10, iat= 462, 478, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 30 LYS HA 30 LYS HN 3.50 (# 319:10 Unique 2.71, 2.81 A)
&rst
ixpk= 319, nxpk= 10, iat= 480, 478, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 VAL HB 30 LYS HN 4.50 (# 320:10 Unique 2.36, 3.91 A)
&rst
ixpk= 320, nxpk= 10, iat= 466, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 LYS HB- 30 LYS HN 2.80 (# 321:10 Unique 2.09, 2.76 A)
&rst
ixpk= 321, nxpk= 10, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 482, 483,
&end
#
# 30 LYS HG+ 30 LYS HN 4.50 (# 322:10 Unique 1.96, 3.75 A)
&rst
ixpk= 322, nxpk= 10, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 485, 486,
&end
#
# 29 VAL MGY 30 LYS HN 4.50 (# 323:10 Unique 2.04, 3.96 A)
&rst
ixpk= 323, nxpk= 10, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL MGX 30 LYS HN 4.50 (# 324:10 Unique 2.04, 3.96 A)
&rst
ixpk= 324, nxpk= 10, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 468, 469, 470, 472, 473, 474,
&end
#
# 7 VAL HN 47 TYR HN 5.50 (# 325:10 Unique 2.24, 2.79 A)
&rst
ixpk= 325, nxpk= 10, iat= 101, 750, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 VAL HA 47 TYR HN 2.80 (# 326:10 Unique 2.14, 2.17 A)
&rst
ixpk= 326, nxpk= 10, iat= 736, 750, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 7 VAL MGY 47 TYR HN 4.50 (# 327:10 Unique 2.30, 4.95 A)
&rst
ixpk= 327, nxpk= 10, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 11 GLU HN 12 GLN HN 4.50 (# 328:10 Unique 2.16, 2.19 A)
&rst
ixpk= 328, nxpk= 10, iat= 171, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 12 GLN HA 12 GLN HN 4.50 (# 329:10 Unique 2.90, 2.92 A)
&rst
ixpk= 329, nxpk= 10, iat= 188, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 11 GLU HA 12 GLN HN 4.50 (# 330:10 Unique 3.42, 3.46 A)
&rst
ixpk= 330, nxpk= 10, iat= 173, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:331 0 AMB 10-1:331 3.50 (# 331:10 Double Ambig)
&rst
ixpk= 331, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 193, 194, 93, 94,
igr2= 186, 101,
&end
#
# 0 AMB 10-2:332 0 AMB 10-1:332 4.50 (# 332:10 Double Ambig)
&rst
ixpk= 332, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 190, 191, 121, 122,
igr2= 186, 101,
&end
#
# 12 GLN HB- 12 GLN HN 2.80 (# 333:10 Unique 2.33, 2.97 A)
&rst
ixpk= 333, nxpk= 10, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 190, 191,
&end
#
# 9 VAL MGX 12 GLN HN 3.50 (# 334:10 Unique 1.94, 4.22 A)
&rst
ixpk= 334, nxpk= 10, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 8 ARG HN 7 VAL HN 4.50 (# 335:10 Unique 2.08, 2.44 A)
&rst
ixpk= 335, nxpk= 10, iat= 117, 101, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:336 53 GLN HN 4.50 (# 336:10 Single Ambig)
&rst
ixpk= 336, nxpk= 10, iat= -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 813, 854,
&end
#
# 52 ARG HA 53 GLN HN 4.50 (# 337:10 Unique 3.38, 3.56 A)
&rst
ixpk= 337, nxpk= 10, iat= 815, 837, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 GLN HG+ 53 GLN HN 3.50 (# 338:10 Unique 2.68, 3.79 A)
&rst
ixpk= 338, nxpk= 10, iat= -1, 837, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 844, 845,
&end
#
# 53 GLN HG- 53 GLN HN 4.50 (# 339:10 Unique 2.68, 3.79 A)
&rst
ixpk= 339, nxpk= 10, iat= -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 844, 845,
&end
#
# 56 GLN HB- 53 GLN HN 4.50 (# 340:10 Unique 4.22, 5.29 A)
&rst
ixpk= 340, nxpk= 10, iat= -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 876, 877,
&end
#
# 0 AMB 10-2:341 7 VAL HN 3.50 (# 341:10 Single Ambig)
&rst
ixpk= 341, nxpk= 10, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 91, 775, 776,
&end
#
# 7 VAL MGY 7 VAL HN 4.50 (# 342:10 Unique 1.92, 3.43 A)
&rst
ixpk= 342, nxpk= 10, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 7 VAL MGX 7 VAL HN 3.50 (# 343:10 Unique 1.92, 3.43 A)
&rst
ixpk= 343, nxpk= 10, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 61 LEU HN 62 SER HN 3.50 (# 344:10 Unique 2.60, 2.74 A)
&rst
ixpk= 344, nxpk= 10, iat= 955, 974, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 63 GLU HN 62 SER HN 3.50 (# 345:10 Unique 2.18, 2.52 A)
&rst
ixpk= 345, nxpk= 10, iat= 985, 974, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 62 SER HA 62 SER HN 3.50 (# 346:10 Unique 2.78, 2.85 A)
&rst
ixpk= 346, nxpk= 10, iat= 976, 974, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:347 62 SER HN 2.80 (# 347:10 Single Ambig)
&rst
ixpk= 347, nxpk= 10, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 978, 979, 978, 979,
&end
#
# 61 LEU HB+ 62 SER HN 3.50 (# 348:10 Unique 2.28, 3.03 A)
&rst
ixpk= 348, nxpk= 10, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 959, 960,
&end
#
# 61 LEU HB- 62 SER HN 4.50 (# 349:10 Unique 2.28, 3.03 A)
&rst
ixpk= 349, nxpk= 10, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 959, 960,
&end
#
# 0 AMB 10-2:350 62 SER HN 4.50 (# 350:10 Single Ambig)
&rst
ixpk= 350, nxpk= 10, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 0 AMB 10-2:351 85 GLY HN 5.50 (# 351:10 Single Ambig)
&rst
ixpk= 351, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1303,1304,1303,1304,
&end
#
# 84 LYS HA 85 GLY HN 2.80 (# 352:10 Unique 2.14, 2.19 A)
&rst
ixpk= 352, nxpk= 10, iat=1298,1318, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 15 GLN HA 85 GLY HN 4.50 (# 353:10 Unique 3.21, 4.14 A)
&rst
ixpk= 353, nxpk= 10, iat= 243,1318, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 85 GLY HA+ 85 GLY HN 3.50 (# 354:10 Unique 2.30, 2.67 A)
&rst
ixpk= 354, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1320,1321,
&end
#
# 85 GLY HA- 85 GLY HN 3.50 (# 355:10 Unique 2.30, 2.67 A)
&rst
ixpk= 355, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1320,1321,
&end
#
# 0 AMB 10-2:356 85 GLY HN 4.50 (# 356:10 Single Ambig)
&rst
ixpk= 356, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1300,1301, 265, 266,
&end
#
# 16 GLU HA 85 GLY HN 5.50 (# 357:10 Unique 2.78, 4.07 A)
&rst
ixpk= 357, nxpk= 10, iat= 260,1318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:358 85 GLY HN 4.50 (# 358:10 Single Ambig)
&rst
ixpk= 358, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1300,1301,1306,1307,1306,1307,
&end
#
# 72 ALA HN 46 VAL HN 4.50 (# 359:10 Unique 2.07, 2.97 A)
&rst
ixpk= 359, nxpk= 10, iat=1121, 734, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 VAL HA 46 VAL HN 4.50 (# 360:10 Unique 2.92, 2.94 A)
&rst
ixpk= 360, nxpk= 10, iat= 736, 734, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 71 ASN HA 46 VAL HN 5.50 (# 361:10 Unique 2.34, 3.43 A)
&rst
ixpk= 361, nxpk= 10, iat=1109, 734, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 LYS HA 46 VAL HN 2.80 (# 362:10 Unique 2.14, 2.21 A)
&rst
ixpk= 362, nxpk= 10, iat= 714, 734, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 46 VAL MGY 46 VAL HN 4.50 (# 363:10 Unique 1.95, 3.26 A)
&rst
ixpk= 363, nxpk= 10, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 10-2:364 46 VAL HN 4.50 (# 364:10 Single Ambig)
&rst
ixpk= 364, nxpk= 10, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 716, 717, 716, 717,
&end
#
# 14 GLN HN 15 GLN HN 3.50 (# 365:10 Unique 2.12, 2.84 A)
&rst
ixpk= 365, nxpk= 10, iat= 224, 241, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 GLU HN 15 GLN HN 4.50 (# 366:10 Unique 1.87, 2.97 A)
&rst
ixpk= 366, nxpk= 10, iat= 258, 241, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 12 GLN HA 15 GLN HN 4.50 (# 367:10 Unique 2.75, 3.70 A)
&rst
ixpk= 367, nxpk= 10, iat= 188, 241, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 GLN HA 15 GLN HN 3.50 (# 368:10 Unique 2.75, 2.88 A)
&rst
ixpk= 368, nxpk= 10, iat= 243, 241, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 14 GLN HA 15 GLN HN 4.50 (# 369:10 Unique 2.49, 3.01 A)
&rst
ixpk= 369, nxpk= 10, iat= 226, 241, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 GLN HG+ 15 GLN HN 3.50 (# 370:10 Unique 2.41, 3.57 A)
&rst
ixpk= 370, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 248, 249,
&end
#
# 15 GLN HG- 15 GLN HN 4.50 (# 371:10 Unique 2.41, 3.57 A)
&rst
ixpk= 371, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 248, 249,
&end
#
# 0 AMB 10-2:372 15 GLN HN 2.80 (# 372:10 Single Ambig)
&rst
ixpk= 372, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 245, 246, 245, 246,
&end
#
# 27 LYS HA 28 GLU HN 5.50 (# 374:10 Unique 3.22, 3.45 A)
&rst
ixpk= 374, nxpk= 10, iat= 427, 447, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 LYS HN 28 GLU HN 3.50 (# 375:10 Unique 2.46, 2.67 A)
&rst
ixpk= 375, nxpk= 10, iat= 425, 447, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 VAL HN 28 GLU HN 2.80 (# 376:10 Unique 1.89, 2.48 A)
&rst
ixpk= 376, nxpk= 10, iat= 462, 447, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 28 GLU HA 28 GLU HN 4.50 (# 377:10 Unique 2.90, 2.93 A)
&rst
ixpk= 377, nxpk= 10, iat= 449, 447, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:378 28 GLU HN 3.50 (# 378:10 Single Ambig)
&rst
ixpk= 378, nxpk= 10, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 454, 455, 451, 452, 399, 400,
&end
#
# 0 AMB 10-2:379 28 GLU HN 3.50 (# 379:10 Single Ambig)
&rst
ixpk= 379, nxpk= 10, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 454, 455, 396, 397,
&end
#
# 0 AMB 10-2:380 28 GLU HN 3.50 (# 380:10 Single Ambig)
&rst
ixpk= 380, nxpk= 10, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 451, 452, 429, 430,
&end
#
# 25 PRO HB- 28 GLU HN 5.50 (# 381:10 Unique 3.18, 4.14 A)
&rst
ixpk= 381, nxpk= 10, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 399, 400,
&end
#
# 0 AMB 10-2:382 28 GLU HN 5.50 (# 382:10 Single Ambig)
&rst
ixpk= 382, nxpk= 10, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 432, 433, 432, 433,
&end
#
# 2 GLU HA 43 THR HN 4.50 (# 383:10 Unique 3.40, 4.42 A)
&rst
ixpk= 383, nxpk= 10, iat= 16, 682, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 ASP HA 43 THR HN 2.80 (# 384:10 Unique 2.14, 2.36 A)
&rst
ixpk= 384, nxpk= 10, iat= 672, 682, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 43 THR HB 43 THR HN 2.80 (# 385:10 Unique 2.61, 2.71 A)
&rst
ixpk= 385, nxpk= 10, iat= 686, 682, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 42 ASP HB+ 43 THR HN 4.50 (# 386:10 Unique 1.95, 3.33 A)
&rst
ixpk= 386, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 674, 675,
&end
#
# 42 ASP HB- 43 THR HN 3.50 (# 387:10 Unique 1.95, 3.33 A)
&rst
ixpk= 387, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 674, 675,
&end
#
# 43 THR HG1 43 THR HN 4.50 (# 388:10 Unique 2.08, 2.65 A)
&rst
ixpk= 388, nxpk= 10, iat= 692, 682, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:389 77 ASP HN 4.50 (# 389:10 Single Ambig)
&rst
ixpk= 389, nxpk= 10, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1171,1172,1171,1172,
&end
#
# 76 LYS HN 77 ASP HN 4.50 (# 390:10 Unique 2.19, 2.83 A)
&rst
ixpk= 390, nxpk= 10, iat=1164,1186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 77 ASP HB- 77 ASP HN 3.50 (# 391:10 Unique 2.07, 2.99 A)
&rst
ixpk= 391, nxpk= 10, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1190,1191,
&end
#
# 0 AMB 10-2:392 0 AMB 10-1:392 4.50 (# 392:10 Double Ambig)
&rst
ixpk= 392, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1168,1169,1208,1209, 940,
igr2=1186,1000,
&end
#
# 78 ILE HN 77 ASP HN 3.50 (# 393:10 Unique 1.90, 2.25 A)
&rst
ixpk= 393, nxpk= 10, iat=1198,1186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:394 0 AMB 10-1:394 4.50 (# 394:10 Double Ambig)
&rst
ixpk= 394, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1188, 976,
igr2=1186,1000,
&end
#
# 39 ASP HA 41 ASN HN 4.50 (# 396:10 Unique 3.43, 4.07 A)
&rst
ixpk= 396, nxpk= 10, iat= 624, 656, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:397 0 AMB 10-1:397 3.50 (# 397:10 Double Ambig)
&rst
ixpk= 397, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1190,1191,1007,1008,
igr2=1186,1000,
&end
#
# 40 LYS HA 41 ASN HN 5.50 (# 398:10 Unique 2.55, 3.03 A)
&rst
ixpk= 398, nxpk= 10, iat= 636, 656, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 ASN HB+ 41 ASN HN 3.50 (# 399:10 Unique 2.14, 3.10 A)
&rst
ixpk= 399, nxpk= 10, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 660, 661,
&end
#
# 40 LYS HB- 41 ASN HN 5.50 (# 400:10 Unique 2.24, 4.17 A)
&rst
ixpk= 400, nxpk= 10, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 638, 639,
&end
#
# 40 LYS HN 41 ASN HN 3.50 (# 401:10 Unique 1.89, 2.81 A)
&rst
ixpk= 401, nxpk= 10, iat= 634, 656, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 42 ASP HN 41 ASN HN 3.50 (# 402:10 Unique 1.89, 2.54 A)
&rst
ixpk= 402, nxpk= 10, iat= 670, 656, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 41 ASN HA 41 ASN HN 4.50 (# 403:10 Unique 2.76, 2.88 A)
&rst
ixpk= 403, nxpk= 10, iat= 658, 656, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 ASN HB- 41 ASN HN 3.50 (# 404:10 Unique 2.14, 3.10 A)
&rst
ixpk= 404, nxpk= 10, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 660, 661,
&end
#
# 63 GLU HN 64 MET HN 3.50 (# 405:10 Unique 2.25, 2.62 A)
&rst
ixpk= 405, nxpk= 10, iat= 985,1000, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 64 MET HA 64 MET HN 4.50 (# 406:10 Unique 2.76, 2.79 A)
&rst
ixpk= 406, nxpk= 10, iat=1002,1000, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:407 64 MET HN 3.50 (# 407:10 Single Ambig)
&rst
ixpk= 407, nxpk= 10, iat= -1,1000, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 957, 987,
&end
#
# 0 AMB 10-2:408 64 MET HN 3.50 (# 408:10 Single Ambig)
&rst
ixpk= 408, nxpk= 10, iat= -1,1000, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1004,1005,1007,1008,
&end
#
# 64 MET HB- 64 MET HN 3.50 (# 409:10 Unique 2.07, 2.83 A)
&rst
ixpk= 409, nxpk= 10, iat= -1,1000, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1004,1005,
&end
#
# 0 AMB 10-2:410 64 MET HN 3.50 (# 410:10 Single Ambig)
&rst
ixpk= 410, nxpk= 10, iat= -1,1000, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 989, 990, 989, 990,
&end
#
# 77 ASP HN 76 LYS HN 4.50 (# 411:10 Unique 2.19, 2.83 A)
&rst
ixpk= 411, nxpk= 10, iat=1186,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 76 LYS HA 76 LYS HN 4.50 (# 412:10 Unique 2.27, 2.77 A)
&rst
ixpk= 412, nxpk= 10, iat=1166,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 LEU HB+ 76 LYS HN 4.50 (# 413:10 Unique 1.95, 3.27 A)
&rst
ixpk= 413, nxpk= 10, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1149,1150,
&end
#
# 0 AMB 10-2:414 0 AMB 10-1:414 3.50 (# 414:10 Double Ambig)
&rst
ixpk= 414, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1168,1169,1168,1169, 310, 311,
igr2=1164, 323,
&end
#
# 0 AMB 10-2:415 76 LYS HN 4.50 (# 415:10 Single Ambig)
&rst
ixpk= 415, nxpk= 10, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1171,1172,1171,1172,
&end
#
# 41 ASN HB+ 41 ASN HD2+ 4.50 (# 417:10 Unique 2.12, 3.22 A)
&rst
ixpk= 417, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 660, 661,
igr2= 665, 666,
&end
#
# 41 ASN HB- 41 ASN HD2+ 3.50 (# 418:10 Unique 2.12, 3.22 A)
&rst
ixpk= 418, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 660, 661,
igr2= 665, 666,
&end
#
# 41 ASN HB+ 41 ASN HD2- 5.50 (# 419:10 Unique 2.12, 3.22 A)
&rst
ixpk= 419, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 660, 661,
igr2= 665, 666,
&end
#
# 41 ASN HB- 41 ASN HD2- 4.50 (# 420:10 Unique 2.12, 3.22 A)
&rst
ixpk= 420, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 660, 661,
igr2= 665, 666,
&end
#
# 0 AMB 10-2:421 0 AMB 10-1:421 4.50 (# 421:10 Double Ambig)
&rst
ixpk= 421, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1149,1150, 310, 311,
igr2=1164, 323,
&end
#
# 47 TYR HA 48 CYS HN 3.50 (# 422:10 Unique 2.14, 2.20 A)
&rst
ixpk= 422, nxpk= 10, iat= 752, 771, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:423 48 CYS HN 3.50 (# 423:10 Single Ambig)
&rst
ixpk= 423, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1133,1134, 754, 755,
&end
#
# 47 TYR HB- 48 CYS HN 5.50 (# 424:10 Unique 2.46, 3.63 A)
&rst
ixpk= 424, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 754, 755,
&end
#
# 83 VAL HN 17 HIS HN 4.50 (# 425:10 Unique 2.41, 3.76 A)
&rst
ixpk= 425, nxpk= 10, iat=1280, 273, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 GLU HA 17 HIS HN 2.80 (# 426:10 Unique 2.14, 2.26 A)
&rst
ixpk= 426, nxpk= 10, iat= 260, 273, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 16 GLU HG+ 17 HIS HN 4.50 (# 427:10 Unique 2.57, 4.21 A)
&rst
ixpk= 427, nxpk= 10, iat= -1, 273, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 265, 266,
&end
#
# 84 LYS HA 17 HIS HN 5.50 (# 428:10 Unique 3.54, 4.33 A)
&rst
ixpk= 428, nxpk= 10, iat=1298, 273, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 GLU HG- 17 HIS HN 4.50 (# 429:10 Unique 2.57, 4.21 A)
&rst
ixpk= 429, nxpk= 10, iat= -1, 273, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 265, 266,
&end
#
# 82 LYS HB- 17 HIS HN 5.50 (# 430:10 Unique 1.95, 4.26 A)
&rst
ixpk= 430, nxpk= 10, iat= -1, 273, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1262,1263,
&end
#
# 30 LYS HN 31 GLU HN 3.50 (# 431:10 Unique 2.45, 2.64 A)
&rst
ixpk= 431, nxpk= 10, iat= 478, 500, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 ARG HN 31 GLU HN 2.80 (# 432:10 Unique 2.13, 2.31 A)
&rst
ixpk= 432, nxpk= 10, iat= 515, 500, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 28 GLU HA 31 GLU HN 5.50 (# 433:10 Unique 3.54, 3.73 A)
&rst
ixpk= 433, nxpk= 10, iat= 449, 500, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 GLU HA 31 GLU HN 3.50 (# 434:10 Unique 2.93, 2.93 A)
&rst
ixpk= 434, nxpk= 10, iat= 502, 500, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 30 LYS HA 31 GLU HN 4.50 (# 435:10 Unique 3.44, 3.49 A)
&rst
ixpk= 435, nxpk= 10, iat= 480, 500, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:436 31 GLU HN 4.50 (# 436:10 Single Ambig)
&rst
ixpk= 436, nxpk= 10, iat= -1, 500, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 507, 508, 507, 508,
&end
#
# 0 AMB 10-2:437 31 GLU HN 2.80 (# 437:10 Single Ambig)
&rst
ixpk= 437, nxpk= 10, iat= -1, 500, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 504, 505, 504, 505,
&end
#
# 30 LYS HB+ 31 GLU HN 3.50 (# 438:10 Unique 2.47, 3.30 A)
&rst
ixpk= 438, nxpk= 10, iat= -1, 500, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 482, 483,
&end
#
# 16 GLU HA 16 GLU HN 3.50 (# 439:10 Unique 2.28, 2.59 A)
&rst
ixpk= 439, nxpk= 10, iat= 260, 258, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 15 GLN HA 16 GLU HN 4.50 (# 440:10 Unique 2.17, 3.01 A)
&rst
ixpk= 440, nxpk= 10, iat= 243, 258, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:441 16 GLU HN 3.50 (# 441:10 Single Ambig)
&rst
ixpk= 441, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 245, 246, 245, 246,
&end
#
# 16 GLU HB- 16 GLU HN 4.50 (# 442:10 Unique 2.98, 3.49 A)
&rst
ixpk= 442, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 262, 263,
&end
#
# 21 ALA HN 20 GLY HN 4.50 (# 443:10 Unique 1.94, 2.58 A)
&rst
ixpk= 443, nxpk= 10, iat= 330, 323, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 GLY HA+ 20 GLY HN 4.50 (# 445:10 Unique 2.29, 2.64 A)
&rst
ixpk= 445, nxpk= 10, iat= -1, 323, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 325, 326,
&end
#
# 19 GLN HA 20 GLY HN 2.80 (# 446:10 Unique 2.15, 2.23 A)
&rst
ixpk= 446, nxpk= 10, iat= 308, 323, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 12 GLN HN 11 GLU HN 4.50 (# 447:10 Unique 2.16, 2.19 A)
&rst
ixpk= 447, nxpk= 10, iat= 186, 171, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 11 GLU HA 11 GLU HN 3.50 (# 448:10 Unique 2.91, 2.92 A)
&rst
ixpk= 448, nxpk= 10, iat= 173, 171, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 9 VAL HB 11 GLU HN 4.50 (# 449:10 Unique 2.27, 2.28 A)
&rst
ixpk= 449, nxpk= 10, iat= 145, 171, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:450 11 GLU HN 3.50 (# 450:10 Single Ambig)
&rst
ixpk= 450, nxpk= 10, iat= -1, 171, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 178, 179, 178, 179,
&end
#
# 0 AMB 10-2:451 11 GLU HN 2.80 (# 451:10 Single Ambig)
&rst
ixpk= 451, nxpk= 10, iat= -1, 171, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 175, 176, 175, 176,
&end
#
# 0 AMB 10-2:452 11 GLU HN 3.50 (# 452:10 Single Ambig)
&rst
ixpk= 452, nxpk= 10, iat= -1, 171, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 164, 165, 396, 397,
&end
#
# 9 VAL MGX 11 GLU HN 4.50 (# 453:10 Unique 2.81, 4.20 A)
&rst
ixpk= 453, nxpk= 10, iat= -1, 171, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 0 AMB 10-2:454 11 GLU HN 4.50 (# 454:10 Single Ambig)
&rst
ixpk= 454, nxpk= 10, iat= -1, 171, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 158, 159, 158, 159,
&end
#
# 30 LYS HA 32 ARG HN 4.50 (# 455:10 Unique 3.75, 3.88 A)
&rst
ixpk= 455, nxpk= 10, iat= 480, 515, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 VAL HA 32 ARG HN 5.50 (# 457:10 Unique 2.89, 3.18 A)
&rst
ixpk= 457, nxpk= 10, iat= 464, 515, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:458 32 ARG HN 3.50 (# 458:10 Single Ambig)
&rst
ixpk= 458, nxpk= 10, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 504, 505, 504, 505,
&end
#
# 33 ILE HN 32 ARG HN 3.50 (# 459:10 Unique 1.92, 2.24 A)
&rst
ixpk= 459, nxpk= 10, iat= 539, 515, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 31 GLU HN 32 ARG HN 2.80 (# 460:10 Unique 2.13, 2.31 A)
&rst
ixpk= 460, nxpk= 10, iat= 500, 515, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 32 ARG HA 32 ARG HN 4.50 (# 461:10 Unique 2.90, 2.94 A)
&rst
ixpk= 461, nxpk= 10, iat= 517, 515, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 31 GLU HA 32 ARG HN 4.50 (# 462:10 Unique 3.22, 3.24 A)
&rst
ixpk= 462, nxpk= 10, iat= 502, 515, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:463 32 ARG HN 3.50 (# 463:10 Single Ambig)
&rst
ixpk= 463, nxpk= 10, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 519, 520, 522, 523,
&end
#
# 32 ARG HB- 32 ARG HN 2.80 (# 464:10 Unique 2.39, 2.97 A)
&rst
ixpk= 464, nxpk= 10, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 519, 520,
&end
#
# 0 AMB 10-2:465 32 ARG HN 5.50 (# 465:10 Single Ambig)
&rst
ixpk= 465, nxpk= 10, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 379, 380, 381, 386, 387, 388,
&end
#
# 37 VAL MGY 37 VAL HN 5.50 (# 466:10 Unique 2.01, 4.10 A)
&rst
ixpk= 466, nxpk= 10, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 598, 599, 600, 602, 603, 604,
&end
#
# 36 ALA HN 37 VAL HN 2.80 (# 467:10 Unique 1.89, 2.32 A)
&rst
ixpk= 467, nxpk= 10, iat= 582, 592, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 36 ALA HA 37 VAL HN 4.50 (# 468:10 Unique 3.48, 3.52 A)
&rst
ixpk= 468, nxpk= 10, iat= 584, 592, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:469 37 VAL HN 3.50 (# 469:10 Single Ambig)
&rst
ixpk= 469, nxpk= 10, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 594, 560,
&end
#
# 33 ILE HA 37 VAL HN 5.50 (# 470:10 Unique 2.75, 3.34 A)
&rst
ixpk= 470, nxpk= 10, iat= 541, 592, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 PRO HD- 37 VAL HN 4.50 (# 471:10 Unique 2.94, 3.64 A)
&rst
ixpk= 471, nxpk= 10, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 609, 610,
&end
#
# 37 VAL HB 37 VAL HN 3.50 (# 472:10 Unique 2.61, 2.78 A)
&rst
ixpk= 472, nxpk= 10, iat= 596, 592, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:473 37 VAL HN 2.80 (# 473:10 Single Ambig)
&rst
ixpk= 473, nxpk= 10, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 586, 587, 588, 549, 550,
&end
#
# 33 ILE QD1 37 VAL HN 4.50 (# 474:10 Unique 3.18, 4.92 A)
&rst
ixpk= 474, nxpk= 10, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 552, 553, 554,
&end
#
# 37 VAL MGX 37 VAL HN 3.50 (# 475:10 Unique 2.01, 4.10 A)
&rst
ixpk= 475, nxpk= 10, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 598, 599, 600, 602, 603, 604,
&end
#
# 68 HIS HN 67 THR HN 3.50 (# 476:10 Unique 1.89, 2.56 A)
&rst
ixpk= 476, nxpk= 10, iat=1059,1045, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 TYR HA 67 THR HN 2.80 (# 477:10 Unique 2.14, 2.32 A)
&rst
ixpk= 477, nxpk= 10, iat=1026,1045, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:478 67 THR HN 3.50 (# 478:10 Single Ambig)
&rst
ixpk= 478, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1047,1049,
&end
#
# 66 TYR HB+ 67 THR HN 5.50 (# 479:10 Unique 1.99, 3.58 A)
&rst
ixpk= 479, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1028,1029,
&end
#
# 67 THR MG2 67 THR HN 3.50 (# 480:10 Unique 1.95, 3.29 A)
&rst
ixpk= 480, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1051,1052,1053,
&end
#
# 28 GLU HN 27 LYS HN 3.50 (# 481:10 Unique 2.46, 2.67 A)
&rst
ixpk= 481, nxpk= 10, iat= 447, 425, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 LEU HN 27 LYS HN 4.50 (# 482:10 Unique 2.56, 2.72 A)
&rst
ixpk= 482, nxpk= 10, iat= 406, 425, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 27 LYS HA 27 LYS HN 3.50 (# 483:10 Unique 2.77, 2.80 A)
&rst
ixpk= 483, nxpk= 10, iat= 427, 425, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 LEU HA 27 LYS HN 4.50 (# 484:10 Unique 3.43, 3.50 A)
&rst
ixpk= 484, nxpk= 10, iat= 408, 425, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:485 27 LYS HN 2.80 (# 485:10 Single Ambig)
&rst
ixpk= 485, nxpk= 10, iat= -1, 425, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 429, 430, 410, 411,
&end
#
# 0 AMB 10-2:486 27 LYS HN 4.50 (# 486:10 Single Ambig)
&rst
ixpk= 486, nxpk= 10, iat= -1, 425, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 399, 400, 413,
&end
#
# 0 AMB 10-2:487 27 LYS HN 3.50 (# 487:10 Single Ambig)
&rst
ixpk= 487, nxpk= 10, iat= -1, 425, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 432, 433, 432, 433,
&end
#
# 0 AMB 10-2:488 27 LYS HN 4.50 (# 488:10 Single Ambig)
&rst
ixpk= 488, nxpk= 10, iat= -1, 425, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 415, 416, 417, 419, 420, 421, 415, 416, 417, 419,
420, 421,
&end
#
# 40 LYS HB+ 67 THR HN 5.50 (# 491:10 Unique 2.71, 4.24 A)
&rst
ixpk= 491, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 638, 639,
&end
#
# 0 AMB 10-2:493 32 ARG HE 4.50 (# 493:10 Single Ambig)
&rst
ixpk= 493, nxpk= 10, iat= -1, 528, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 525, 526, 525, 526,
&end
#
# 0 AMB 10-2:494 32 ARG HE 4.50 (# 494:10 Single Ambig)
&rst
ixpk= 494, nxpk= 10, iat= -1, 528, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 522, 523, 519, 520,
&end
#
# 32 ARG HG- 32 ARG HE 5.50 (# 495:10 Unique 2.09, 2.95 A)
&rst
ixpk= 495, nxpk= 10, iat= -1, 528, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 522, 523,
&end
#
# 0 AMB 10-2:496 55 GLY HN 3.50 (# 496:10 Single Ambig)
&rst
ixpk= 496, nxpk= 10, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 867, 868, 808, 809,
&end
#
# 55 GLY HA- 55 GLY HN 3.50 (# 497:10 Unique 2.29, 2.54 A)
&rst
ixpk= 497, nxpk= 10, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 867, 868,
&end
#
# 55 GLY HN 71 ASN HD2- 5.50 (# 498:10 Unique 2.37, 4.57 A)
&rst
ixpk= 498, nxpk= 10, iat= 865, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1116,1117,
&end
#
# 71 ASN HB+ 71 ASN HD2- 5.50 (# 499:10 Unique 2.16, 3.49 A)
&rst
ixpk= 499, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1111,1112,
igr2=1116,1117,
&end
#
# 55 GLY HA- 71 ASN HD2+ 5.50 (# 500:10 Unique 2.91, 5.36 A)
&rst
ixpk= 500, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 867, 868,
igr2=1116,1117,
&end
#
# 71 ASN HB+ 71 ASN HD2+ 4.50 (# 501:10 Unique 2.16, 3.49 A)
&rst
ixpk= 501, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1111,1112,
igr2=1116,1117,
&end
#
# 71 ASN HB- 71 ASN HD2+ 4.50 (# 502:10 Unique 2.16, 3.49 A)
&rst
ixpk= 502, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1111,1112,
igr2=1116,1117,
&end
#
# 55 GLY HA- 71 ASN HD2- 5.50 (# 503:10 Unique 2.91, 5.36 A)
&rst
ixpk= 503, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 867, 868,
igr2=1116,1117,
&end
#
# 0 AMB 10-2:504 71 ASN HD2- 4.50 (# 504:10 Single Ambig)
&rst
ixpk= 504, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1133,1134, 867, 868,
igr2=1116,1117,
&end
#
# 0 AMB 10-2:505 74 GLY HN 4.50 (# 505:10 Single Ambig)
&rst
ixpk= 505, nxpk= 10, iat= -1,1138, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1140,1141, 808, 809,
&end
#
# 0 AMB 10-2:506 74 GLY HN 3.50 (# 506:10 Single Ambig)
&rst
ixpk= 506, nxpk= 10, iat= -1,1138, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1133,1134,1140,1141,
&end
#
# 0 AMB 10-2:507 74 GLY HN 2.80 (# 507:10 Single Ambig)
&rst
ixpk= 507, nxpk= 10, iat= -1,1138, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1133,1134, 808, 809,
&end
#
# 54 SER HB- 54 SER HN 4.50 (# 508:10 Unique 2.13, 3.01 A)
&rst
ixpk= 508, nxpk= 10, iat= -1, 854, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 858, 859,
&end
#
# 53 GLN HN 54 SER HN 4.50 (# 509:10 Unique 2.60, 2.75 A)
&rst
ixpk= 509, nxpk= 10, iat= 837, 854, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:510 54 SER HN 3.50 (# 510:10 Single Ambig)
&rst
ixpk= 510, nxpk= 10, iat= -1, 854, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 865, 872,
&end
#
# 52 ARG HA 54 SER HN 5.50 (# 511:10 Unique 3.60, 4.06 A)
&rst
ixpk= 511, nxpk= 10, iat= 815, 854, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:512 54 SER HN 3.50 (# 512:10 Single Ambig)
&rst
ixpk= 512, nxpk= 10, iat= -1, 854, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 858, 859, 856,
&end
#
# 56 GLN HB- 54 SER HN 4.50 (# 513:10 Unique 4.42, 5.35 A)
&rst
ixpk= 513, nxpk= 10, iat= -1, 854, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 876, 877,
&end
#
# 0 AMB 10-2:514 54 SER HN 5.50 (# 514:10 Single Ambig)
&rst
ixpk= 514, nxpk= 10, iat= -1, 854, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 817, 818, 817, 818,
&end
#
# 7 VAL MGX 54 SER HN 5.50 (# 515:10 Unique 2.51, 5.18 A)
&rst
ixpk= 515, nxpk= 10, iat= -1, 854, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 15 GLN HG+ 15 GLN HE2+ 5.50 (# 516:10 Unique 2.12, 3.25 A)
&rst
ixpk= 516, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 248, 249,
igr2= 253, 254,
&end
#
# 12 GLN HG+ 12 GLN HE2+ 3.50 (# 517:10 Unique 2.12, 3.29 A)
&rst
ixpk= 517, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 193, 194,
igr2= 198, 199,
&end
#
# 9 VAL MGX 12 GLN HE2+ 4.50 (# 518:10 Unique 3.39, 6.58 A)
&rst
ixpk= 518, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 147, 148, 149, 151, 152, 153,
igr2= 198, 199,
&end
#
# 0 AMB 10-2:519 12 GLN HE2- 4.50 (# 519:10 Single Ambig)
&rst
ixpk= 519, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 248, 249, 193, 194,
igr2= 198, 199,
&end
#
# 8 ARG HA 9 VAL HN 2.80 (# 520:10 Unique 2.20, 2.31 A)
&rst
ixpk= 520, nxpk= 10, iat= 119, 141, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 9 VAL HA 9 VAL HN 4.50 (# 521:10 Unique 2.71, 2.73 A)
&rst
ixpk= 521, nxpk= 10, iat= 143, 141, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 9 VAL HB 9 VAL HN 5.50 (# 522:10 Unique 3.60, 3.60 A)
&rst
ixpk= 522, nxpk= 10, iat= 145, 141, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:523 9 VAL HN 3.50 (# 523:10 Single Ambig)
&rst
ixpk= 523, nxpk= 10, iat= -1, 141, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 121, 122, 190, 191,
&end
#
# 0 AMB 10-2:524 9 VAL HN 3.50 (# 524:10 Single Ambig)
&rst
ixpk= 524, nxpk= 10, iat= -1, 141, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 121, 122, 190, 191,
&end
#
# 9 VAL MGY 9 VAL HN 3.50 (# 525:10 Unique 1.94, 3.05 A)
&rst
ixpk= 525, nxpk= 10, iat= -1, 141, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 9 VAL MGX 9 VAL HN 2.80 (# 526:10 Unique 1.94, 3.05 A)
&rst
ixpk= 526, nxpk= 10, iat= -1, 141, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 19 GLN HG- 19 GLN HE2+ 4.50 (# 527:10 Unique 2.12, 3.25 A)
&rst
ixpk= 527, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 313, 314,
igr2= 318, 319,
&end
#
# 26 LEU MDX 53 GLN HE2+ 5.50 (# 528:10 Unique 3.65, 7.03 A)
&rst
ixpk= 528, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 849, 850,
&end
#
# 53 GLN HG- 53 GLN HE2- 5.50 (# 529:10 Unique 2.14, 3.41 A)
&rst
ixpk= 529, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 844, 845,
igr2= 849, 850,
&end
#
# 53 GLN HG+ 53 GLN HE2+ 5.50 (# 530:10 Unique 2.14, 3.41 A)
&rst
ixpk= 530, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 844, 845,
igr2= 849, 850,
&end
#
# 0 AMB 10-2:531 0 AMB 10-1:531 4.50 (# 531:10 Double Ambig)
&rst
ixpk= 531, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 844, 845, 876, 877,
igr2= 849, 850, 884, 885,
&end
#
# 0 AMB 10-2:532 0 AMB 10-1:532 3.50 (# 532:10 Double Ambig)
&rst
ixpk= 532, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 879, 880, 879, 880,
igr2= 884, 885, 884, 885,
&end
#
# 0 AMB 10-2:533 56 GLN HE2- 4.50 (# 533:10 Single Ambig)
&rst
ixpk= 533, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 879, 880, 879, 880,
igr2= 884, 885,
&end
#
# 34 ALA HN 35 THR HN 3.50 (# 534:10 Unique 2.26, 2.52 A)
&rst
ixpk= 534, nxpk= 10, iat= 558, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 THR HA 35 THR HN 3.50 (# 535:10 Unique 2.76, 2.92 A)
&rst
ixpk= 535, nxpk= 10, iat= 570, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 ALA MB 35 THR HN 3.50 (# 536:10 Unique 2.52, 3.86 A)
&rst
ixpk= 536, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 562, 563, 564,
&end
#
# 35 THR HG1 35 THR HN 4.50 (# 537:10 Unique 2.17, 3.02 A)
&rst
ixpk= 537, nxpk= 10, iat= 578, 568, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 ASN HA 23 ASN HD2+ 4.50 (# 538:10 Unique 1.95, 3.00 A)
&rst
ixpk= 538, nxpk= 10, iat= 361, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 368, 369,
&end
#
# 0 AMB 10-2:539 0 AMB 10-1:539 4.50 (# 539:10 Double Ambig)
&rst
ixpk= 539, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 363, 364, 396, 397,
igr2= 368, 369, 368, 369,
&end
#
# 23 ASN HA 23 ASN HD2- 3.50 (# 540:10 Unique 1.95, 3.00 A)
&rst
ixpk= 540, nxpk= 10, iat= 361, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 368, 369,
&end
#
# 13 TYR HB+ 23 ASN HD2- 5.50 (# 541:10 Unique 1.95, 3.25 A)
&rst
ixpk= 541, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 207, 208,
igr2= 368, 369,
&end
#
# 0 AMB 10-2:542 50 ALA HN 5.50 (# 542:10 Single Ambig)
&rst
ixpk= 542, nxpk= 10, iat= -1, 796, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1133,1134, 808, 809,
&end
#
# 0 AMB 10-2:543 50 ALA HN 4.50 (# 543:10 Single Ambig)
&rst
ixpk= 543, nxpk= 10, iat= -1, 796, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1145, 791, 792,
&end
#
# 66 TYR HN 65 GLY HN 3.50 (# 544:10 Unique 1.89, 2.20 A)
&rst
ixpk= 544, nxpk= 10, iat=1024,1017, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:545 65 GLY HN 5.50 (# 545:10 Single Ambig)
&rst
ixpk= 545, nxpk= 10, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 976,1026,
&end
#
# 65 GLY HA+ 65 GLY HN 3.50 (# 546:10 Unique 2.45, 2.76 A)
&rst
ixpk= 546, nxpk= 10, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1019,1020,
&end
#
# 0 AMB 10-2:547 65 GLY HN 5.50 (# 547:10 Single Ambig)
&rst
ixpk= 547, nxpk= 10, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 987, 957,1047,
&end
#
# 65 GLY HA- 65 GLY HN 2.80 (# 548:10 Unique 2.45, 2.76 A)
&rst
ixpk= 548, nxpk= 10, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1019,1020,
&end
#
# 79 ALA MB 79 ALA HN 3.50 (# 549:10 Unique 2.09, 3.05 A)
&rst
ixpk= 549, nxpk= 10, iat= -1,1217, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1221,1222,1223,
&end
#
# 78 ILE QG2 79 ALA HN 4.50 (# 550:10 Unique 1.97, 3.33 A)
&rst
ixpk= 550, nxpk= 10, iat= -1,1217, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1204,1205,1206,
&end
#
# 72 ALA HN 73 GLY HN 3.50 (# 551:10 Unique 2.06, 2.68 A)
&rst
ixpk= 551, nxpk= 10, iat=1121,1131, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 71 ASN HA 73 GLY HN 5.50 (# 552:10 Unique 3.66, 4.22 A)
&rst
ixpk= 552, nxpk= 10, iat=1109,1131, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 72 ALA HA 73 GLY HN 5.50 (# 553:10 Unique 3.51, 3.57 A)
&rst
ixpk= 553, nxpk= 10, iat=1123,1131, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 73 GLY HA+ 73 GLY HN 3.50 (# 554:10 Unique 2.29, 2.68 A)
&rst
ixpk= 554, nxpk= 10, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1133,1134,
&end
#
# 0 AMB 10-2:555 73 GLY HN 3.50 (# 555:10 Single Ambig)
&rst
ixpk= 555, nxpk= 10, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 754, 755,1133,1134,
&end
#
# 72 ALA MB 73 GLY HN 5.50 (# 556:10 Unique 2.02, 3.10 A)
&rst
ixpk= 556, nxpk= 10, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1125,1126,1127,
&end
#
# 79 ALA HA 79 ALA HN 4.50 (# 557:10 Unique 2.83, 2.91 A)
&rst
ixpk= 557, nxpk= 10, iat=1219,1217, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 ILE HA 79 ALA HN 3.50 (# 558:10 Unique 2.14, 2.20 A)
&rst
ixpk= 558, nxpk= 10, iat=1200,1217, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 VAL HN 19 GLN HN 5.50 (# 559:10 Unique 2.94, 3.77 A)
&rst
ixpk= 559, nxpk= 10, iat=1280, 306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 19 GLN HG- 19 GLN HN 5.50 (# 560:10 Unique 2.09, 4.17 A)
&rst
ixpk= 560, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 313, 314,
&end
#
# 0 AMB 10-2:561 19 GLN HN 5.50 (# 561:10 Single Ambig)
&rst
ixpk= 561, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1265,1266,1231,1232,
&end
#
# 83 VAL MGX 19 GLN HN 5.50 (# 562:10 Unique 2.24, 4.51 A)
&rst
ixpk= 562, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 0 AMB 10-2:563 4 TRP HE1 5.50 (# 563:10 Single Ambig)
&rst
ixpk= 563, nxpk= 10, iat= -1, 56, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 18, 19, 18, 19,
&end
#
# 0 AMB 10-2:564 4 TRP HE1 5.50 (# 564:10 Single Ambig)
&rst
ixpk= 564, nxpk= 10, iat= -1, 56, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 722, 723, 719, 720,
&end
#
# 0 AMB 10-2:565 4 TRP HE1 5.50 (# 565:10 Single Ambig)
&rst
ixpk= 565, nxpk= 10, iat= -1, 56, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 716, 717, 716, 717,
&end
#
# 46 VAL MGX 72 ALA HN 5.50 (# 567:10 Unique 1.95, 4.55 A)
&rst
ixpk= 567, nxpk= 10, iat= -1,1121, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 740, 741, 742, 744, 745, 746,
&end
#
# 68 HIS HB+ 44 VAL HN 5.50 (# 569:10 Unique 4.52, 5.48 A)
&rst
ixpk= 569, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1063,1064,
&end
#
# 0 AMB 10-2:570 44 VAL HN 5.50 (# 570:10 Single Ambig)
&rst
ixpk= 570, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1063,1064, 674, 675,
&end
#
# 44 VAL MGX 44 VAL HN 5.50 (# 571:10 Unique 2.59, 4.17 A)
&rst
ixpk= 571, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 10-2:572 45 LYS HN 5.50 (# 572:10 Single Ambig)
&rst
ixpk= 572, nxpk= 10, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 702, 703, 704, 706, 707, 708, 722, 723,
&end
#
# 0 AMB 10-2:574 6 ASP HN 5.50 (# 574:10 Single Ambig)
&rst
ixpk= 574, nxpk= 10, iat= -1, 89, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 80, 81, 80, 81,
&end
#
# 0 AMB 10-2:575 68 HIS HN 5.50 (# 575:10 Single Ambig)
&rst
ixpk= 575, nxpk= 10, iat= -1,1059, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1026, 976,
&end
#
# 67 THR MG2 68 HIS HN 5.50 (# 576:10 Unique 2.16, 4.65 A)
&rst
ixpk= 576, nxpk= 10, iat= -1,1059, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1051,1052,1053,
&end
#
# 44 VAL HN 70 GLU HN 5.50 (# 577:10 Unique 2.83, 3.53 A)
&rst
ixpk= 577, nxpk= 10, iat= 696,1092, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 VAL HN 70 GLU HN 5.50 (# 578:10 Unique 3.80, 4.61 A)
&rst
ixpk= 578, nxpk= 10, iat= 734,1092, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:579 70 GLU HN 5.50 (# 579:10 Single Ambig)
&rst
ixpk= 579, nxpk= 10, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 719, 720, 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 10-2:580 70 GLU HN 5.50 (# 580:10 Single Ambig)
&rst
ixpk= 580, nxpk= 10, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 716, 717, 716, 717, 964, 965, 966, 968, 969, 970,
964, 965, 966, 968, 969, 970,
&end
#
# 4 TRP HB- 4 TRP HN 3.50 (# 581:10 Unique 2.21, 2.92 A)
&rst
ixpk= 581, nxpk= 10, iat= -1, 46, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 50, 51,
&end
#
# 3 HIS HB- 4 TRP HN 5.50 (# 582:10 Unique 2.62, 3.41 A)
&rst
ixpk= 582, nxpk= 10, iat= -1, 46, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 33, 34,
&end
#
# 6 ASP HN 24 ILE HN 5.50 (# 583:10 Unique 3.76, 4.44 A)
&rst
ixpk= 583, nxpk= 10, iat= 89, 373, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 ILE HG1+ 24 ILE HN 5.50 (# 584:10 Unique 2.53, 3.58 A)
&rst
ixpk= 584, nxpk= 10, iat= -1, 373, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 383, 384,
&end
#
# 23 ASN HB- 24 ILE HN 5.50 (# 585:10 Unique 4.19, 4.47 A)
&rst
ixpk= 585, nxpk= 10, iat= -1, 373, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 363, 364,
&end
#
# 22 ILE HG1- 23 ASN HN 5.50 (# 586:10 Unique 1.94, 2.62 A)
&rst
ixpk= 586, nxpk= 10, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 350, 351,
&end
#
# 34 ALA HN 36 ALA HN 5.50 (# 587:10 Unique 3.80, 4.15 A)
&rst
ixpk= 587, nxpk= 10, iat= 558, 582, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:588 36 ALA HN 5.50 (# 588:10 Single Ambig)
&rst
ixpk= 588, nxpk= 10, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 522, 523, 519, 520, 596,
&end
#
# 0 AMB 10-2:589 36 ALA HN 5.50 (# 589:10 Single Ambig)
&rst
ixpk= 589, nxpk= 10, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 386, 387, 388, 379, 380, 381,
&end
#
# 37 VAL MGX 36 ALA HN 5.50 (# 590:10 Unique 3.84, 6.14 A)
&rst
ixpk= 590, nxpk= 10, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 598, 599, 600, 602, 603, 604,
&end
#
# 39 ASP HB+ 40 LYS HN 5.50 (# 591:10 Unique 2.23, 3.74 A)
&rst
ixpk= 591, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 626, 627,
&end
#
# 0 AMB 10-2:592 40 LYS HN 5.50 (# 592:10 Single Ambig)
&rst
ixpk= 592, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 647, 648, 647, 648,
&end
#
# 39 ASP HB- 40 LYS HN 5.50 (# 593:10 Unique 2.23, 3.74 A)
&rst
ixpk= 593, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 626, 627,
&end
#
# 0 AMB 10-2:594 5 ILE HN 5.50 (# 594:10 Single Ambig)
&rst
ixpk= 594, nxpk= 10, iat= -1, 70, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 712, 89,
&end
#
# 0 AMB 10-2:595 5 ILE HN 5.50 (# 595:10 Single Ambig)
&rst
ixpk= 595, nxpk= 10, iat= -1, 70, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 750, 734,
&end
#
# 4 TRP HE3 5 ILE HN 5.50 (# 596:10 Unique 3.13, 3.85 A)
&rst
ixpk= 596, nxpk= 10, iat= 65, 70, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 4 TRP HB+ 5 ILE HN 5.50 (# 597:10 Unique 3.35, 4.16 A)
&rst
ixpk= 597, nxpk= 10, iat= -1, 70, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 50, 51,
&end
#
# 0 AMB 10-2:598 5 ILE HN 5.50 (# 598:10 Single Ambig)
&rst
ixpk= 598, nxpk= 10, iat= -1, 70, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 740, 741, 742, 744, 745, 746, 107, 108, 109, 111,
112, 113,
&end
#
# 0 AMB 10-2:599 5 ILE HN 5.50 (# 599:10 Single Ambig)
&rst
ixpk= 599, nxpk= 10, iat= -1, 70, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 716, 717, 716, 717,
&end
#
# 74 GLY HN 75 LEU HN 5.50 (# 601:10 Unique 2.82, 4.02 A)
&rst
ixpk= 601, nxpk= 10, iat=1138,1145, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 ILE HN 75 LEU HN 5.50 (# 602:10 Unique 5.13, 5.44 A)
&rst
ixpk= 602, nxpk= 10, iat=1198,1145, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 ILE QD1 75 LEU HN 5.50 (# 603:10 Unique 4.07, 5.94 A)
&rst
ixpk= 603, nxpk= 10, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1211,1212,1213,
&end
#
# 0 AMB 10-2:604 75 LEU HN 5.50 (# 604:10 Single Ambig)
&rst
ixpk= 604, nxpk= 10, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
1159,1160,
&end
#
# 75 LEU HG 75 LEU HN 5.50 (# 605:10 Unique 2.35, 4.18 A)
&rst
ixpk= 605, nxpk= 10, iat=1152,1145, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 ARG HA 34 ALA HN 5.50 (# 606:10 Unique 3.42, 3.90 A)
&rst
ixpk= 606, nxpk= 10, iat= 517, 558, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 MET ME 34 ALA HN 5.50 (# 607:10 Unique 2.89, 5.16 A)
&rst
ixpk= 607, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1011,1012,1013,
&end
#
# 0 AMB 10-2:608 34 ALA HN 5.50 (# 608:10 Single Ambig)
&rst
ixpk= 608, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 543, 522, 523, 519, 520,
&end
#
# 0 AMB 10-2:609 26 LEU HN 5.50 (# 609:10 Single Ambig)
&rst
ixpk= 609, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 396, 397, 454, 455,
&end
#
# 7 VAL MGX 26 LEU HN 5.50 (# 610:10 Unique 2.08, 4.84 A)
&rst
ixpk= 610, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 77 ASP HA 78 ILE HN 5.50 (# 612:10 Unique 3.44, 3.53 A)
&rst
ixpk= 612, nxpk= 10, iat=1188,1198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 76 LYS HA 78 ILE HN 5.50 (# 613:10 Unique 3.72, 4.37 A)
&rst
ixpk= 613, nxpk= 10, iat=1166,1198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 75 LEU HA 78 ILE HN 5.50 (# 614:10 Unique 3.39, 4.05 A)
&rst
ixpk= 614, nxpk= 10, iat=1147,1198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 ASP HB+ 78 ILE HN 5.50 (# 615:10 Unique 2.38, 3.12 A)
&rst
ixpk= 615, nxpk= 10, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1190,1191,
&end
#
# 77 ASP HB- 78 ILE HN 5.50 (# 616:10 Unique 2.38, 3.12 A)
&rst
ixpk= 616, nxpk= 10, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1190,1191,
&end
#
# 78 ILE QD1 78 ILE HN 5.50 (# 617:10 Unique 1.97, 3.92 A)
&rst
ixpk= 617, nxpk= 10, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1211,1212,1213,
&end
#
# 20 GLY HA+ 21 ALA HN 5.50 (# 618:10 Unique 2.41, 3.09 A)
&rst
ixpk= 618, nxpk= 10, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 325, 326,
&end
#
# 4 TRP HB+ 21 ALA HN 5.50 (# 619:10 Unique 3.77, 5.10 A)
&rst
ixpk= 619, nxpk= 10, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 50, 51,
&end
#
# 0 AMB 10-2:620 21 ALA HN 5.50 (# 620:10 Single Ambig)
&rst
ixpk= 620, nxpk= 10, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 294, 310, 311, 350, 351,
&end
#
# 0 AMB 10-2:621 22 ILE HN 5.50 (# 621:10 Single Ambig)
&rst
ixpk= 621, nxpk= 10, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 386, 387, 388, 83, 84, 85,
&end
#
# 0 AMB 10-2:622 82 LYS HN 3.50 (# 622:10 Single Ambig)
&rst
ixpk= 622, nxpk= 10, iat= -1,1258, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1268,1269,1262,1263,
&end
#
# 55 GLY HA- 56 GLN HN 5.50 (# 623:10 Unique 2.70, 3.19 A)
&rst
ixpk= 623, nxpk= 10, iat= -1, 872, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 867, 868,
&end
#
# 8 ARG HE 8 ARG HN 5.50 (# 624:10 Unique 3.12, 4.26 A)
&rst
ixpk= 624, nxpk= 10, iat= 130, 117, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:625 8 ARG HN 5.50 (# 625:10 Single Ambig)
&rst
ixpk= 625, nxpk= 10, iat= -1, 117, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 775, 776, 91,
&end
#
# 36 ALA MB 33 ILE HN 5.50 (# 626:10 Unique 4.03, 5.87 A)
&rst
ixpk= 626, nxpk= 10, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 586, 587, 588,
&end
#
# 0 AMB 10-2:627 33 ILE HN 5.50 (# 627:10 Single Ambig)
&rst
ixpk= 627, nxpk= 10, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 586, 587, 588, 549, 550,
&end
#
# 29 VAL MGX 33 ILE HN 5.50 (# 628:10 Unique 2.77, 5.37 A)
&rst
ixpk= 628, nxpk= 10, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 10-2:629 69 VAL HN 5.50 (# 629:10 Single Ambig)
&rst
ixpk= 629, nxpk= 10, iat= -1,1076, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1092,1107,
&end
#
# 52 ARG HG+ 52 ARG HN 5.50 (# 631:10 Unique 2.41, 3.28 A)
&rst
ixpk= 631, nxpk= 10, iat= -1, 813, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 820, 821,
&end
#
# 0 AMB 10-2:634 29 VAL HN 5.50 (# 634:10 Single Ambig)
&rst
ixpk= 634, nxpk= 10, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 485, 486, 413, 519, 520,
&end
#
# 0 AMB 10-2:635 29 VAL HN 5.50 (# 635:10 Single Ambig)
&rst
ixpk= 635, nxpk= 10, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 427, 375,
&end
#
# 44 VAL MGY 3 HIS HN 5.50 (# 636:10 Unique 4.27, 6.33 A)
&rst
ixpk= 636, nxpk= 10, iat= -1, 29, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 10-2:637 3 HIS HN 5.50 (# 637:10 Single Ambig)
&rst
ixpk= 637, nxpk= 10, iat= -1, 29, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 21, 22, 21, 22,
&end
#
# 3 HIS HB+ 3 HIS HN 5.50 (# 638:10 Unique 2.61, 3.27 A)
&rst
ixpk= 638, nxpk= 10, iat= -1, 29, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 33, 34,
&end
#
# 43 THR HB 3 HIS HN 5.50 (# 639:10 Unique 4.20, 4.73 A)
&rst
ixpk= 639, nxpk= 10, iat= 686, 29, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 VAL MGY 18 VAL HN 5.50 (# 640:10 Unique 4.39, 7.28 A)
&rst
ixpk= 640, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 0 AMB 10-2:642 18 VAL HN 5.50 (# 642:10 Single Ambig)
&rst
ixpk= 642, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 286, 65,
&end
#
# 0 AMB 10-2:644 71 ASN HN 5.50 (# 644:10 Single Ambig)
&rst
ixpk= 644, nxpk= 10, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1099,1100,1099,1100,
&end
#
# 0 AMB 10-2:645 71 ASN HN 5.50 (# 645:10 Single Ambig)
&rst
ixpk= 645, nxpk= 10, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088, 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 10-2:646 66 TYR HN 5.50 (# 646:10 Single Ambig)
&rst
ixpk= 646, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 0 AMB 10-2:647 66 TYR HN 5.50 (# 647:10 Single Ambig)
&rst
ixpk= 647, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 644, 645, 959, 960,
&end
#
# 0 AMB 10-2:648 66 TYR HN 5.50 (# 648:10 Single Ambig)
&rst
ixpk= 648, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 957, 978, 979, 978, 979,1047,
&end
#
# 66 TYR HE 66 TYR HN 5.50 (# 649:10 Unique 4.05, 5.09 A)
&rst
ixpk= 649, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1034,1039,
&end
#
# 0 AMB 10-2:650 60 ILE HN 5.50 (# 650:10 Single Ambig)
&rst
ixpk= 650, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 962, 485, 486, 413,
&end
#
# 0 AMB 10-2:651 13 TYR HN 5.50 (# 651:10 Single Ambig)
&rst
ixpk= 651, nxpk= 10, iat= -1, 203, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 248, 249, 93, 94, 164, 165,
&end
#
# 9 VAL MGX 13 TYR HN 5.50 (# 652:10 Unique 3.25, 5.89 A)
&rst
ixpk= 652, nxpk= 10, iat= -1, 203, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 12 GLN HA 13 TYR HN 5.50 (# 653:10 Unique 3.35, 3.40 A)
&rst
ixpk= 653, nxpk= 10, iat= 188, 203, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 ALA HN 80 MET HN 5.50 (# 654:10 Unique 1.91, 2.70 A)
&rst
ixpk= 654, nxpk= 10, iat=1217,1227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:655 80 MET HN 5.50 (# 655:10 Single Ambig)
&rst
ixpk= 655, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1234,1235,1268,1269,1202,
&end
#
# 0 AMB 10-2:656 80 MET HN 5.50 (# 656:10 Single Ambig)
&rst
ixpk= 656, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
&end
#
# 49 ASN HA 49 ASN HD2- 5.50 (# 657:10 Unique 1.95, 2.83 A)
&rst
ixpk= 657, nxpk= 10, iat= 784, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 791, 792,
&end
#
# 74 GLY HA+ 49 ASN HD2- 5.50 (# 658:10 Unique 4.62, 6.82 A)
&rst
ixpk= 658, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1140,1141,
igr2= 791, 792,
&end
#
# 0 AMB 10-2:659 59 GLU HN 5.50 (# 659:10 Single Ambig)
&rst
ixpk= 659, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 9.14, r4= 9.89,
igr1= 415, 416, 417, 419, 420, 421, 949, 950, 951,1082,
1083,1084,1086,1087,1088,1082,1083,1084,1086,1087,
1088,
&end
#
# 0 AMB 10-2:660 59 GLU HN 5.50 (# 660:10 Single Ambig)
&rst
ixpk= 660, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 906, 907, 906, 907, 959, 960,
&end
#
# 0 AMB 10-2:661 59 GLU HN 5.50 (# 661:10 Single Ambig)
&rst
ixpk= 661, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 946, 947, 959, 960,
&end
#
# 0 AMB 10-2:662 59 GLU HN 5.50 (# 662:10 Single Ambig)
&rst
ixpk= 662, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 955, 889,
&end
#
# 13 TYR HN 14 GLN HN 4.50 (# 667:10 Unique 2.65, 2.83 A)
&rst
ixpk= 667, nxpk= 10, iat= 203, 224, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:668 14 GLN HN 5.50 (# 668:10 Single Ambig)
&rst
ixpk= 668, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 211, 220, 236, 237,
&end
#
# 10 PRO HA 14 GLN HN 5.50 (# 669:10 Unique 4.36, 5.13 A)
&rst
ixpk= 669, nxpk= 10, iat= 167, 224, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 PRO HA 39 ASP HN 5.50 (# 670:10 Unique 3.39, 3.44 A)
&rst
ixpk= 670, nxpk= 10, iat= 618, 622, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:671 58 LYS HN 5.50 (# 671:10 Single Ambig)
&rst
ixpk= 671, nxpk= 10, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 946, 947, 959, 960, 738, 410, 411,
&end
#
# 58 LYS HD+ 58 LYS HN 5.50 (# 672:10 Unique 3.79, 4.82 A)
&rst
ixpk= 672, nxpk= 10, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 909, 910,
&end
#
# 55 GLY HA+ 58 LYS HN 5.50 (# 673:10 Unique 2.98, 3.85 A)
&rst
ixpk= 673, nxpk= 10, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 867, 868,
&end
#
# 32 ARG HN 30 LYS HN 5.50 (# 674:10 Unique 3.65, 3.83 A)
&rst
ixpk= 674, nxpk= 10, iat= 515, 478, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 TYR HA 47 TYR HN 5.50 (# 675:10 Unique 2.87, 2.91 A)
&rst
ixpk= 675, nxpk= 10, iat= 752, 750, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 6 ASP HA 47 TYR HN 5.50 (# 676:10 Unique 1.92, 2.65 A)
&rst
ixpk= 676, nxpk= 10, iat= 91, 750, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 TYR HB- 47 TYR HN 5.50 (# 677:10 Unique 2.56, 3.51 A)
&rst
ixpk= 677, nxpk= 10, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 754, 755,
&end
#
# 46 VAL HB 47 TYR HN 4.50 (# 678:10 Unique 2.91, 3.22 A)
&rst
ixpk= 678, nxpk= 10, iat= 738, 750, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 VAL MGX 47 TYR HN 5.50 (# 679:10 Unique 2.30, 4.95 A)
&rst
ixpk= 679, nxpk= 10, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 14 GLN HN 12 GLN HN 5.50 (# 680:10 Unique 4.15, 4.42 A)
&rst
ixpk= 680, nxpk= 10, iat= 224, 186, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:681 0 AMB 10-1:681 5.50 (# 681:10 Double Ambig)
&rst
ixpk= 681, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 167, 119,
igr2= 186, 101,
&end
#
# 0 AMB 10-2:682 7 VAL HN 4.50 (# 682:10 Single Ambig)
&rst
ixpk= 682, nxpk= 10, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 91, 775, 776,
&end
#
# 12 GLN HG+ 12 GLN HN 4.50 (# 683:10 Unique 2.48, 3.44 A)
&rst
ixpk= 683, nxpk= 10, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 193, 194,
&end
#
# 9 VAL MGY 12 GLN HN 5.50 (# 684:10 Unique 1.94, 4.22 A)
&rst
ixpk= 684, nxpk= 10, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 7 VAL HA 7 VAL HN 5.50 (# 685:10 Unique 2.84, 2.89 A)
&rst
ixpk= 685, nxpk= 10, iat= 103, 101, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:686 53 GLN HN 5.50 (# 686:10 Single Ambig)
&rst
ixpk= 686, nxpk= 10, iat= -1, 837, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 820, 821, 413,
&end
#
# 64 MET HN 62 SER HN 5.50 (# 687:10 Unique 3.73, 4.19 A)
&rst
ixpk= 687, nxpk= 10, iat=1000, 974, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 LYS HA 62 SER HN 5.50 (# 688:10 Unique 3.76, 4.42 A)
&rst
ixpk= 688, nxpk= 10, iat= 901, 974, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:689 62 SER HN 5.50 (# 689:10 Single Ambig)
&rst
ixpk= 689, nxpk= 10, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 989, 990, 989, 990, 903, 904, 925, 926,
&end
#
# 0 AMB 10-2:690 62 SER HN 5.50 (# 690:10 Single Ambig)
&rst
ixpk= 690, nxpk= 10, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 962, 903, 904, 909, 910,
&end
#
# 0 AMB 10-2:691 62 SER HN 5.50 (# 691:10 Single Ambig)
&rst
ixpk= 691, nxpk= 10, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
969, 970,
&end
#
# 0 AMB 10-2:692 46 VAL HN 5.50 (# 692:10 Single Ambig)
&rst
ixpk= 692, nxpk= 10, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1092,1107,
&end
#
# 0 AMB 10-2:693 46 VAL HN 5.50 (# 693:10 Single Ambig)
&rst
ixpk= 693, nxpk= 10, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 722, 723, 719, 720, 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 10-2:694 46 VAL HN 3.50 (# 694:10 Single Ambig)
&rst
ixpk= 694, nxpk= 10, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 740, 741, 742, 744, 745, 746,1082,1083,1084,1086,
1087,1088,
&end
#
# 46 VAL HB 46 VAL HN 4.50 (# 695:10 Unique 3.65, 3.71 A)
&rst
ixpk= 695, nxpk= 10, iat= 738, 734, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:696 15 GLN HN 3.50 (# 696:10 Single Ambig)
&rst
ixpk= 696, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 228, 229, 228, 229,
&end
#
# 26 LEU HA 28 GLU HN 5.50 (# 697:10 Unique 3.54, 3.80 A)
&rst
ixpk= 697, nxpk= 10, iat= 408, 447, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 VAL HA 28 GLU HN 5.50 (# 698:10 Unique 4.24, 4.34 A)
&rst
ixpk= 698, nxpk= 10, iat= 464, 447, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 ILE QG2 28 GLU HN 5.50 (# 699:10 Unique 4.19, 5.80 A)
&rst
ixpk= 699, nxpk= 10, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 379, 380, 381,
&end
#
# 0 AMB 10-2:700 43 THR HN 5.50 (# 700:10 Single Ambig)
&rst
ixpk= 700, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 18, 19, 18, 19,
&end
#
# 3 HIS HD2 43 THR HN 5.50 (# 702:10 Unique 5.17, 5.46 A)
&rst
ixpk= 702, nxpk= 10, iat= 42, 682, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:703 0 AMB 10-1:703 5.50 (# 703:10 Double Ambig)
&rst
ixpk= 703, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1138, 974,
igr2=1186,1000,
&end
#
# 0 AMB 10-2:704 0 AMB 10-1:704 5.50 (# 704:10 Double Ambig)
&rst
ixpk= 704, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1147, 938,
igr2=1186,1000,
&end
#
# 0 AMB 10-2:705 77 ASP HN 5.50 (# 705:10 Single Ambig)
&rst
ixpk= 705, nxpk= 10, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1208,1209,1152,
&end
#
# 78 ILE QD1 77 ASP HN 5.50 (# 706:10 Unique 2.74, 5.51 A)
&rst
ixpk= 706, nxpk= 10, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1211,1212,1213,
&end
#
# 75 LEU HN 76 LYS HN 5.50 (# 707:10 Unique 2.01, 2.99 A)
&rst
ixpk= 707, nxpk= 10, iat=1145,1164, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 20 GLY HA- 20 GLY HN 4.50 (# 708:10 Unique 2.29, 2.64 A)
&rst
ixpk= 708, nxpk= 10, iat= -1, 323, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 325, 326,
&end
#
# 50 ALA HN 48 CYS HN 5.50 (# 709:10 Unique 3.79, 5.32 A)
&rst
ixpk= 709, nxpk= 10, iat= 796, 771, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 74 GLY HA+ 48 CYS HN 5.50 (# 710:10 Unique 1.97, 3.79 A)
&rst
ixpk= 710, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1140,1141,
&end
#
# 41 ASN HN 41 ASN HD2+ 5.50 (# 711:10 Unique 3.13, 5.04 A)
&rst
ixpk= 711, nxpk= 10, iat= 656, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 665, 666,
&end
#
# 83 VAL MGX 17 HIS HN 5.50 (# 712:10 Unique 2.80, 5.94 A)
&rst
ixpk= 712, nxpk= 10, iat= -1, 273, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 0 AMB 10-2:713 17 HIS HN 5.50 (# 713:10 Single Ambig)
&rst
ixpk= 713, nxpk= 10, iat= -1, 273, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1286,1287,1288,1290,1291,1292,1154,1155,1156,1158,
1159,1160,
&end
#
# 82 LYS HB+ 17 HIS HN 5.50 (# 714:10 Unique 1.95, 4.26 A)
&rst
ixpk= 714, nxpk= 10, iat= -1, 273, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1262,1263,
&end
#
# 0 AMB 10-2:715 17 HIS HN 5.50 (# 715:10 Single Ambig)
&rst
ixpk= 715, nxpk= 10, iat= -1, 273, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 262, 263, 245, 246, 245, 246,
&end
#
# 17 HIS HB- 17 HIS HN 5.50 (# 716:10 Unique 2.48, 3.53 A)
&rst
ixpk= 716, nxpk= 10, iat= -1, 273, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 277, 278,
&end
#
# 17 HIS HB+ 17 HIS HN 5.50 (# 717:10 Unique 2.48, 3.53 A)
&rst
ixpk= 717, nxpk= 10, iat= -1, 273, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 277, 278,
&end
#
# 16 GLU HN 17 HIS HN 5.50 (# 719:10 Unique 2.02, 3.46 A)
&rst
ixpk= 719, nxpk= 10, iat= 258, 273, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 17 HIS HN 16 GLU HN 5.50 (# 720:10 Unique 2.02, 3.46 A)
&rst
ixpk= 720, nxpk= 10, iat= 273, 258, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 VAL HA 31 GLU HN 5.50 (# 721:10 Unique 3.81, 3.99 A)
&rst
ixpk= 721, nxpk= 10, iat= 464, 500, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 VAL MGY 31 GLU HN 5.50 (# 722:10 Unique 4.46, 5.77 A)
&rst
ixpk= 722, nxpk= 10, iat= -1, 500, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 10-2:723 31 GLU HN 5.50 (# 723:10 Single Ambig)
&rst
ixpk= 723, nxpk= 10, iat= -1, 500, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 485, 486, 562, 563, 564,
&end
#
# 19 GLN HE2+ 20 GLY HN 5.50 (# 724:10 Unique 2.05, 5.05 A)
&rst
ixpk= 724, nxpk= 10, iat= -1, 323, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 318, 319,
&end
#
# 0 AMB 10-2:725 20 GLY HN 5.50 (# 725:10 Single Ambig)
&rst
ixpk= 725, nxpk= 10, iat= -1, 323, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 313, 314, 313, 314,
&end
#
# 83 VAL MGX 20 GLY HN 5.50 (# 726:10 Unique 4.14, 6.47 A)
&rst
ixpk= 726, nxpk= 10, iat= -1, 323, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 10 PRO HA 11 GLU HN 5.50 (# 727:10 Unique 3.37, 3.39 A)
&rst
ixpk= 727, nxpk= 10, iat= 167, 171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 9 VAL HA 11 GLU HN 5.50 (# 728:10 Unique 3.91, 3.92 A)
&rst
ixpk= 728, nxpk= 10, iat= 143, 171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 9 VAL MGY 11 GLU HN 5.50 (# 729:10 Unique 2.81, 4.20 A)
&rst
ixpk= 729, nxpk= 10, iat= -1, 171, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 64 MET ME 32 ARG HN 5.50 (# 730:10 Unique 4.73, 5.85 A)
&rst
ixpk= 730, nxpk= 10, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1011,1012,1013,
&end
#
# 38 PRO HA 37 VAL HN 5.50 (# 731:10 Unique 4.32, 4.58 A)
&rst
ixpk= 731, nxpk= 10, iat= 618, 592, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 PRO HD+ 37 VAL HN 5.50 (# 732:10 Unique 2.94, 3.64 A)
&rst
ixpk= 732, nxpk= 10, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 609, 610,
&end
#
# 68 HIS HD2 67 THR HN 5.50 (# 733:10 Unique 2.20, 2.81 A)
&rst
ixpk= 733, nxpk= 10, iat=1072,1045, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 TYR HB- 67 THR HN 5.50 (# 736:10 Unique 1.99, 3.58 A)
&rst
ixpk= 736, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1028,1029,
&end
#
# 40 LYS HB- 67 THR HN 5.50 (# 737:10 Unique 2.71, 4.24 A)
&rst
ixpk= 737, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 638, 639,
&end
#
# 0 AMB 10-2:738 67 THR HN 5.50 (# 738:10 Single Ambig)
&rst
ixpk= 738, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 29 VAL HN 27 LYS HN 5.50 (# 739:10 Unique 3.93, 4.32 A)
&rst
ixpk= 739, nxpk= 10, iat= 462, 425, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 25 PRO HB+ 27 LYS HN 5.50 (# 740:10 Unique 2.21, 3.29 A)
&rst
ixpk= 740, nxpk= 10, iat= -1, 425, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 399, 400,
&end
#
# 71 ASN HD2+ 55 GLY HN 5.50 (# 742:10 Unique 2.37, 4.57 A)
&rst
ixpk= 742, nxpk= 10, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1116,1117,
&end
#
# 52 ARG HA 55 GLY HN 5.50 (# 744:10 Unique 3.27, 3.79 A)
&rst
ixpk= 744, nxpk= 10, iat= 815, 865, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 VAL HA 71 ASN HD2- 5.50 (# 745:10 Unique 4.75, 6.27 A)
&rst
ixpk= 745, nxpk= 10, iat= 736, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1116,1117,
&end
#
# 51 GLY HA+ 71 ASN HD2- 5.50 (# 746:10 Unique 3.76, 5.53 A)
&rst
ixpk= 746, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 808, 809,
igr2=1116,1117,
&end
#
# 0 AMB 10-2:747 0 AMB 10-1:747 5.50 (# 747:10 Double Ambig)
&rst
ixpk= 747, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1133,1134, 867, 868,
igr2=1116,1117,1116,1117,
&end
#
# 71 ASN HB- 71 ASN HD2- 5.50 (# 748:10 Unique 2.16, 3.49 A)
&rst
ixpk= 748, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1111,1112,
igr2=1116,1117,
&end
#
# 55 GLY HN 71 ASN HD2+ 5.50 (# 749:10 Unique 2.37, 4.57 A)
&rst
ixpk= 749, nxpk= 10, iat= 865, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1116,1117,
&end
#
# 77 ASP HB- 74 GLY HN 5.50 (# 750:10 Unique 2.01, 4.01 A)
&rst
ixpk= 750, nxpk= 10, iat= -1,1138, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1190,1191,
&end
#
# 53 GLN HE2- 54 SER HN 4.50 (# 751:10 Unique 4.51, 5.11 A)
&rst
ixpk= 751, nxpk= 10, iat= -1, 854, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 849, 850,
&end
#
# 0 AMB 10-2:753 54 SER HN 5.50 (# 753:10 Single Ambig)
&rst
ixpk= 753, nxpk= 10, iat= -1, 854, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 839, 808, 809,1133,1134,
&end
#
# 15 GLN HG+ 15 GLN HE2- 5.50 (# 754:10 Unique 2.12, 3.25 A)
&rst
ixpk= 754, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 248, 249,
igr2= 253, 254,
&end
#
# 15 GLN HG- 15 GLN HE2+ 5.50 (# 755:10 Unique 2.12, 3.25 A)
&rst
ixpk= 755, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 248, 249,
igr2= 253, 254,
&end
#
# 15 GLN HG- 15 GLN HE2- 5.50 (# 756:10 Unique 2.12, 3.25 A)
&rst
ixpk= 756, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 248, 249,
igr2= 253, 254,
&end
#
# 9 VAL MGX 12 GLN HE2- 5.50 (# 758:10 Unique 3.39, 6.58 A)
&rst
ixpk= 758, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 147, 148, 149, 151, 152, 153,
igr2= 198, 199,
&end
#
# 0 AMB 10-2:759 0 AMB 10-1:759 4.50 (# 759:10 Double Ambig)
&rst
ixpk= 759, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 248, 249, 193, 194,
igr2= 198, 199, 198, 199,
&end
#
# 12 GLN HG+ 12 GLN HE2- 4.50 (# 760:10 Unique 2.12, 3.29 A)
&rst
ixpk= 760, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 193, 194,
igr2= 198, 199,
&end
#
# 0 AMB 10-2:761 9 VAL HN 5.50 (# 761:10 Single Ambig)
&rst
ixpk= 761, nxpk= 10, iat= -1, 141, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 402, 158, 159, 158, 159,
&end
#
# 0 AMB 10-2:762 14 GLN HE2- 5.50 (# 762:10 Single Ambig)
&rst
ixpk= 762, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 231, 232, 231, 232,
igr2= 236, 237,
&end
#
# 0 AMB 10-2:763 0 AMB 10-1:763 5.50 (# 763:10 Double Ambig)
&rst
ixpk= 763, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 231, 232, 231, 232,
igr2= 236, 237, 236, 237,
&end
#
# 19 GLN HG- 19 GLN HE2- 5.50 (# 764:10 Unique 2.12, 3.25 A)
&rst
ixpk= 764, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 313, 314,
igr2= 318, 319,
&end
#
# 53 GLN HG+ 53 GLN HE2- 5.50 (# 765:10 Unique 2.14, 3.41 A)
&rst
ixpk= 765, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 844, 845,
igr2= 849, 850,
&end
#
# 26 LEU MDX 53 GLN HE2- 5.50 (# 766:10 Unique 3.65, 7.03 A)
&rst
ixpk= 766, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 849, 850,
&end
#
# 26 LEU MDX 56 GLN HE2- 5.50 (# 767:10 Unique 2.25, 5.62 A)
&rst
ixpk= 767, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 884, 885,
&end
#
# 0 AMB 10-2:768 8 ARG HE 5.50 (# 768:10 Single Ambig)
&rst
ixpk= 768, nxpk= 10, iat= -1, 130, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 124, 125, 124, 125,
&end
#
# 8 ARG HB- 8 ARG HE 5.50 (# 769:10 Unique 1.96, 2.90 A)
&rst
ixpk= 769, nxpk= 10, iat= -1, 130, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 121, 122,
&end
#
# 0 AMB 10-2:770 8 ARG HE 5.50 (# 770:10 Single Ambig)
&rst
ixpk= 770, nxpk= 10, iat= -1, 130, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 101, 186, 286,
&end
#
# 37 VAL HN 35 THR HN 5.50 (# 772:10 Unique 2.67, 3.57 A)
&rst
ixpk= 772, nxpk= 10, iat= 592, 568, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 ARG HA 35 THR HN 5.50 (# 773:10 Unique 3.17, 3.69 A)
&rst
ixpk= 773, nxpk= 10, iat= 517, 568, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 35 THR HB 35 THR HN 3.50 (# 774:10 Unique 2.70, 2.95 A)
&rst
ixpk= 774, nxpk= 10, iat= 572, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 ILE QG2 35 THR HN 5.50 (# 775:10 Unique 4.45, 5.35 A)
&rst
ixpk= 775, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 545, 546, 547,
&end
#
# 0 AMB 10-2:777 0 AMB 10-1:777 5.50 (# 777:10 Double Ambig)
&rst
ixpk= 777, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 158, 159, 158, 159,
igr2= 368, 369, 368, 369,
&end
#
# 13 TYR HB+ 23 ASN HD2+ 5.50 (# 778:10 Unique 1.95, 3.25 A)
&rst
ixpk= 778, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 207, 208,
igr2= 368, 369,
&end
#
# 13 TYR HB- 23 ASN HD2+ 5.50 (# 779:10 Unique 1.95, 3.25 A)
&rst
ixpk= 779, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 207, 208,
igr2= 368, 369,
&end
#
# 0 AMB 10-2:780 23 ASN HD2- 5.50 (# 780:10 Single Ambig)
&rst
ixpk= 780, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 363, 364, 396, 397,
igr2= 368, 369,
&end
#
# 23 ASN HB- 23 ASN HD2- 5.50 (# 781:10 Unique 2.23, 3.45 A)
&rst
ixpk= 781, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 363, 364,
igr2= 368, 369,
&end
#
# 23 ASN HB- 23 ASN HD2+ 5.50 (# 782:10 Unique 2.23, 3.45 A)
&rst
ixpk= 782, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 363, 364,
igr2= 368, 369,
&end
#
# 74 GLY HA+ 50 ALA HN 5.50 (# 783:10 Unique 2.50, 4.95 A)
&rst
ixpk= 783, nxpk= 10, iat= -1, 796, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1140,1141,
&end
#
# 64 MET HB- 65 GLY HN 5.50 (# 784:10 Unique 2.63, 3.30 A)
&rst
ixpk= 784, nxpk= 10, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1004,1005,
&end
#
# 64 MET HB+ 65 GLY HN 5.50 (# 785:10 Unique 2.63, 3.30 A)
&rst
ixpk= 785, nxpk= 10, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1004,1005,
&end
#
# 64 MET HA 65 GLY HN 4.50 (# 786:10 Unique 3.45, 3.49 A)
&rst
ixpk= 786, nxpk= 10, iat=1002,1017, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 TYR HD 65 GLY HN 5.50 (# 787:10 Unique 2.16, 5.02 A)
&rst
ixpk= 787, nxpk= 10, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1032,1041,
&end
#
# 80 MET HN 79 ALA HN 5.50 (# 788:10 Unique 1.91, 2.70 A)
&rst
ixpk= 788, nxpk= 10, iat=1227,1217, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 ILE HG1+ 79 ALA HN 5.50 (# 790:10 Unique 4.24, 4.69 A)
&rst
ixpk= 790, nxpk= 10, iat= -1,1217, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1208,1209,
&end
#
# 47 TYR HA 73 GLY HN 5.50 (# 792:10 Unique 1.95, 2.53 A)
&rst
ixpk= 792, nxpk= 10, iat= 752,1131, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 54 SER HB+ 73 GLY HN 5.50 (# 793:10 Unique 2.55, 4.65 A)
&rst
ixpk= 793, nxpk= 10, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 858, 859,
&end
#
# 84 LYS HA 84 LYS HN 4.50 (# 794:10 Unique 2.87, 2.92 A)
&rst
ixpk= 794, nxpk= 10, iat=1298,1296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:795 53 GLN HN 3.50 (# 795:10 Single Ambig)
&rst
ixpk= 795, nxpk= 10, iat= -1, 837, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 817, 818, 817, 818,
&end
#
# 75 LEU HB- 50 ALA HN 5.50 (# 796:10 Unique 3.52, 5.57 A)
&rst
ixpk= 796, nxpk= 10, iat= -1, 796, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1149,1150,
&end
#
# 0 AMB 10-2:797 32 ARG HE 5.50 (# 797:10 Single Ambig)
&rst
ixpk= 797, nxpk= 10, iat= -1, 528, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 386, 387, 388, 379, 380, 381,
&end
#
# 32 ARG HA 32 ARG HE 5.50 (# 798:10 Unique 2.39, 4.26 A)
&rst
ixpk= 798, nxpk= 10, iat= 517, 528, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
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