NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
491653 |
2jts   |
cing | 1-original | 4 | AMBER | distance | NOE | ambi |
#
# 67 THR MG2 67 THR HB 3.50 (# 1:20 Unique 2.41, 2.66 A)
&rst
ixpk= 1, nxpk= 20, iat= -1,1049, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1=1051,1052,1053,
&end
#
# 36 ALA HN 35 THR HB 4.50 (# 2:20 Unique 2.84, 3.69 A)
&rst
ixpk= 2, nxpk= 20, iat= 582, 572, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:3 43 THR HB 5.50 (# 3:20 Single Ambig)
&rst
ixpk= 3, nxpk= 20, iat= -1, 686, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 21, 22, 21, 22,
&end
#
# 43 THR HN 43 THR HB 4.50 (# 4:20 Unique 2.28, 2.58 A)
&rst
ixpk= 4, nxpk= 20, iat= 682, 686, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 2 GLU HA 43 THR HB 4.50 (# 5:20 Unique 2.08, 2.28 A)
&rst
ixpk= 5, nxpk= 20, iat= 16, 686, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:7 43 THR HB 4.50 (# 7:20 Single Ambig)
&rst
ixpk= 7, nxpk= 20, iat= -1, 686, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 18, 19, 18, 19,
&end
#
# 43 THR MG2 43 THR HB 3.50 (# 8:20 Unique 2.42, 2.66 A)
&rst
ixpk= 8, nxpk= 20, iat= -1, 686, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 688, 689, 690,
&end
#
# 35 THR HN 35 THR HB 4.50 (# 9:20 Unique 2.71, 3.44 A)
&rst
ixpk= 9, nxpk= 20, iat= 568, 572, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 35 THR MG2 35 THR HB 3.50 (# 11:20 Unique 2.43, 2.66 A)
&rst
ixpk= 11, nxpk= 20, iat= -1, 572, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 574, 575, 576,
&end
#
# 0 AMB 20-2:12 29 VAL HA 4.50 (# 12:20 Single Ambig)
&rst
ixpk= 12, nxpk= 20, iat= -1, 464, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 478, 447,
&end
#
# 32 ARG HN 29 VAL HA 5.50 (# 13:20 Unique 3.48, 3.75 A)
&rst
ixpk= 13, nxpk= 20, iat= 515, 464, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 VAL HN 29 VAL HA 4.50 (# 14:20 Unique 2.64, 2.72 A)
&rst
ixpk= 14, nxpk= 20, iat= 462, 464, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 VAL HB 29 VAL HA 4.50 (# 15:20 Unique 2.46, 2.61 A)
&rst
ixpk= 15, nxpk= 20, iat= 466, 464, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:16 29 VAL HA 4.50 (# 16:20 Single Ambig)
&rst
ixpk= 16, nxpk= 20, iat= -1, 464, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 519, 520, 543,
&end
#
# 32 ARG HB- 29 VAL HA 5.50 (# 17:20 Unique 2.81, 3.91 A)
&rst
ixpk= 17, nxpk= 20, iat= -1, 464, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 519, 520,
&end
#
# 29 VAL MGY 29 VAL HA 3.50 (# 18:20 Unique 2.37, 3.46 A)
&rst
ixpk= 18, 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 4.50 (# 19:20 Unique 2.37, 3.46 A)
&rst
ixpk= 19, nxpk= 20, iat= -1, 464, 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 HA 2.80 (# 20:20 Unique 2.12, 2.77 A)
&rst
ixpk= 20, nxpk= 20, iat= -1, 464, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 379, 380, 381,
&end
#
# 10 PRO HB+ 10 PRO HA 3.50 (# 22:20 Unique 2.28, 2.61 A)
&rst
ixpk= 22, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 164, 165,
&end
#
# 0 AMB 20-2:23 10 PRO HA 3.50 (# 23:20 Single Ambig)
&rst
ixpk= 23, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 161, 162, 363, 364,
&end
#
# 13 TYR HN 10 PRO HA 5.50 (# 24:20 Unique 2.79, 3.06 A)
&rst
ixpk= 24, nxpk= 20, iat= 203, 167, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:25 10 PRO HA 5.50 (# 25:20 Single Ambig)
&rst
ixpk= 25, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 158, 159, 158, 159,
&end
#
# 13 TYR HB+ 10 PRO HA 4.50 (# 26:20 Unique 2.21, 2.89 A)
&rst
ixpk= 26, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 207, 208,
&end
#
# 13 TYR HB- 10 PRO HA 4.50 (# 27:20 Unique 2.21, 2.89 A)
&rst
ixpk= 27, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 207, 208,
&end
#
# 10 PRO HG+ 10 PRO HA 5.50 (# 28:20 Unique 2.83, 3.68 A)
&rst
ixpk= 28, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 161, 162,
&end
#
# 60 ILE HN 60 ILE HA 4.50 (# 29:20 Unique 2.86, 2.88 A)
&rst
ixpk= 29, nxpk= 20, iat= 936, 938, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:30 60 ILE HA 4.50 (# 30:20 Single Ambig)
&rst
ixpk= 30, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 989, 990, 989, 990,
&end
#
# 0 AMB 20-2:31 60 ILE HA 3.50 (# 31:20 Single Ambig)
&rst
ixpk= 31, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 946, 947, 940,
&end
#
# 60 ILE HG1+ 60 ILE HA 3.50 (# 32:20 Unique 2.46, 2.65 A)
&rst
ixpk= 32, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 946, 947,
&end
#
# 60 ILE QG2 60 ILE HA 3.50 (# 33:20 Unique 2.65, 3.35 A)
&rst
ixpk= 33, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 942, 943, 944,
&end
#
# 34 ALA HA 38 PRO HA 4.50 (# 34:20 Unique 2.51, 3.29 A)
&rst
ixpk= 34, nxpk= 20, iat= 560, 618, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:35 38 PRO HA 3.50 (# 35:20 Single Ambig)
&rst
ixpk= 35, nxpk= 20, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 612, 613, 612, 613,
&end
#
# 68 HIS HB- 43 THR HA 5.50 (# 36:20 Unique 2.16, 2.62 A)
&rst
ixpk= 36, nxpk= 20, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1063,1064,
&end
#
# 35 THR HN 35 THR HA 4.50 (# 37:20 Unique 2.85, 2.93 A)
&rst
ixpk= 37, nxpk= 20, iat= 568, 570, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 ALA HN 35 THR HA 5.50 (# 38:20 Unique 3.13, 3.52 A)
&rst
ixpk= 38, nxpk= 20, iat= 582, 570, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:39 35 THR HA 5.50 (# 39:20 Single Ambig)
&rst
ixpk= 39, 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 (# 40:20 Unique 4.40, 5.10 A)
&rst
ixpk= 40, nxpk= 20, iat= -1, 570, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 562, 563, 564,
&end
#
# 19 GLN HN 18 VAL HA 2.80 (# 41:20 Unique 2.06, 2.16 A)
&rst
ixpk= 41, nxpk= 20, iat= 306, 292, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:42 18 VAL HA 5.50 (# 42:20 Single Ambig)
&rst
ixpk= 42, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1280, 330,
&end
#
# 18 VAL HN 18 VAL HA 4.50 (# 43:20 Unique 2.77, 2.84 A)
&rst
ixpk= 43, nxpk= 20, iat= 290, 292, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:44 18 VAL HA 3.50 (# 44:20 Single Ambig)
&rst
ixpk= 44, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 294,1262,1263,1234,1235,
&end
#
# 82 LYS HG- 18 VAL HA 4.50 (# 45:20 Unique 2.12, 2.81 A)
&rst
ixpk= 45, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1265,1266,
&end
#
# 0 AMB 20-2:46 18 VAL HA 2.80 (# 46:20 Single Ambig)
&rst
ixpk= 46, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
&end
#
# 82 LYS HN 81 PRO HA 2.80 (# 47:20 Unique 2.26, 2.37 A)
&rst
ixpk= 47, nxpk= 20, iat=1258,1254, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 81 PRO HB+ 81 PRO HA 2.80 (# 48:20 Unique 2.29, 2.63 A)
&rst
ixpk= 48, nxpk= 20, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1251,1252,
&end
#
# 81 PRO HB- 81 PRO HA 3.50 (# 49:20 Unique 2.29, 2.63 A)
&rst
ixpk= 49, nxpk= 20, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1251,1252,
&end
#
# 81 PRO HG- 81 PRO HA 4.50 (# 50:20 Unique 2.81, 3.65 A)
&rst
ixpk= 50, nxpk= 20, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1248,1249,
&end
#
# 0 AMB 20-2:51 81 PRO HA 4.50 (# 51:20 Single Ambig)
&rst
ixpk= 51, nxpk= 20, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1268,1269,1265,1266,
&end
#
# 68 HIS HN 67 THR HA 5.50 (# 52:20 Unique 2.41, 3.39 A)
&rst
ixpk= 52, nxpk= 20, iat=1059,1047, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 67 THR HN 67 THR HA 4.50 (# 53:20 Unique 2.78, 2.91 A)
&rst
ixpk= 53, nxpk= 20, iat=1045,1047, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 62 SER HN 0 AMB 20-1:54 4.50 (# 54:20 Single Ambig)
&rst
ixpk= 54, nxpk= 20, iat= 974, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 978, 979, 978, 979,
&end
#
# 63 GLU HN 62 SER HB+ 4.50 (# 55:20 Unique 2.54, 3.21 A)
&rst
ixpk= 55, nxpk= 20, iat= 985, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 978, 979,
&end
#
# 62 SER HN 0 AMB 20-1:56 4.50 (# 56:20 Single Ambig)
&rst
ixpk= 56, nxpk= 20, iat= 974, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 978, 979, 978, 979,
&end
#
# 63 GLU HN 0 AMB 20-1:57 4.50 (# 57:20 Single Ambig)
&rst
ixpk= 57, nxpk= 20, iat= 985, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 978, 979, 978, 979,
&end
#
# 0 AMB 20-2:58 62 SER HA 2.80 (# 58:20 Single Ambig)
&rst
ixpk= 58, nxpk= 20, iat= -1, 976, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 978, 979, 978, 979,
&end
#
# 79 ALA HN 78 ILE HA 2.80 (# 59:20 Unique 2.13, 2.18 A)
&rst
ixpk= 59, nxpk= 20, iat=1217,1200, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:60 0 AMB 20-1:60 4.50 (# 60:20 Double Ambig)
&rst
ixpk= 60, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1198, 568,
igr2=1200, 541,
&end
#
# 0 AMB 20-2:61 78 ILE HA 4.50 (# 61:20 Single Ambig)
&rst
ixpk= 61, nxpk= 20, iat= -1,1200, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1202,1125,1126,1127,
&end
#
# 78 ILE HG1+ 78 ILE HA 3.50 (# 62:20 Unique 2.25, 3.37 A)
&rst
ixpk= 62, nxpk= 20, iat= -1,1200, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1208,1209,
&end
#
# 0 AMB 20-2:63 0 AMB 20-1:63 2.80 (# 63:20 Double Ambig)
&rst
ixpk= 63, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 386, 387, 388, 379, 380, 381,1204,1205,1206,
igr2= 541,1200,
&end
#
# 0 AMB 20-2:64 62 SER HA 5.50 (# 64:20 Single Ambig)
&rst
ixpk= 64, nxpk= 20, iat= -1, 976, 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
#
# 33 ILE HN 33 ILE HA 3.50 (# 65:20 Unique 2.76, 2.80 A)
&rst
ixpk= 65, nxpk= 20, iat= 539, 541, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 ALA HN 33 ILE HA 5.50 (# 66:20 Unique 3.54, 3.57 A)
&rst
ixpk= 66, nxpk= 20, iat= 558, 541, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 ALA HN 33 ILE HA 4.50 (# 67:20 Unique 3.04, 3.23 A)
&rst
ixpk= 67, nxpk= 20, iat= 582, 541, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:68 33 ILE HA 2.80 (# 68:20 Single Ambig)
&rst
ixpk= 68, nxpk= 20, iat= -1, 541, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 586, 587, 588, 549, 550,
&end
#
# 33 ILE HG1+ 33 ILE HA 3.50 (# 69:20 Unique 2.84, 3.39 A)
&rst
ixpk= 69, nxpk= 20, iat= -1, 541, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 549, 550,
&end
#
# 0 AMB 20-2:70 33 ILE HA 2.80 (# 70:20 Single Ambig)
&rst
ixpk= 70, nxpk= 20, iat= -1, 541, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 386, 387, 388, 552, 553, 554, 379, 380, 381,
&end
#
# 0 AMB 20-2:71 0 AMB 20-1:71 2.80 (# 71:20 Double Ambig)
&rst
ixpk= 71, 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
#
# 62 SER HN 62 SER HA 4.50 (# 72:20 Unique 2.80, 2.85 A)
&rst
ixpk= 72, nxpk= 20, iat= 974, 976, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 TYR HN 62 SER HA 4.50 (# 73:20 Unique 2.05, 3.20 A)
&rst
ixpk= 73, nxpk= 20, iat=1024, 976, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:74 62 SER HA 5.50 (# 74:20 Single Ambig)
&rst
ixpk= 74, nxpk= 20, iat= -1, 976, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1017,1000,
&end
#
# 33 ILE HB 33 ILE HA 2.80 (# 75:20 Unique 2.40, 2.45 A)
&rst
ixpk= 75, nxpk= 20, iat= 543, 541, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 33 ILE QG2 33 ILE HA 4.50 (# 76:20 Unique 3.68, 3.97 A)
&rst
ixpk= 76, nxpk= 20, iat= -1, 541, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 545, 546, 547,
&end
#
# 0 AMB 20-2:78 54 SER HA 4.50 (# 78:20 Single Ambig)
&rst
ixpk= 78, nxpk= 20, iat= -1, 856, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 899, 771,
&end
#
# 0 AMB 20-2:79 54 SER HA 3.50 (# 79:20 Single Ambig)
&rst
ixpk= 79, nxpk= 20, iat= -1, 856, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 740, 741, 742, 744, 745, 746, 415, 416, 417, 419,
420, 421,
&end
#
# 7 VAL MGX 54 SER HA 3.50 (# 80:20 Unique 2.08, 3.90 A)
&rst
ixpk= 80, nxpk= 20, iat= -1, 856, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:81 54 SER HA 5.50 (# 81:20 Single Ambig)
&rst
ixpk= 81, nxpk= 20, iat= -1, 856, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 865, 101,
&end
#
# 3 HIS HN 44 VAL HA 4.50 (# 84:20 Unique 2.55, 2.98 A)
&rst
ixpk= 84, nxpk= 20, iat= 29, 698, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 VAL HB 44 VAL HA 4.50 (# 85:20 Unique 3.03, 3.04 A)
&rst
ixpk= 85, nxpk= 20, iat= 700, 698, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 TYR HA 54 SER HB+ 5.50 (# 87:20 Unique 2.10, 2.93 A)
&rst
ixpk= 87, nxpk= 20, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 858, 859,
&end
#
# 47 TYR HA 54 SER HB- 5.50 (# 88:20 Unique 2.10, 2.93 A)
&rst
ixpk= 88, nxpk= 20, iat= 752, -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 (# 90:20 Unique 2.22, 5.10 A)
&rst
ixpk= 90, 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
#
# 7 VAL MGX 54 SER HB- 5.50 (# 91:20 Unique 2.31, 5.46 A)
&rst
ixpk= 91, 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
#
# 45 LYS HN 44 VAL HA 2.80 (# 92:20 Unique 2.11, 2.16 A)
&rst
ixpk= 92, nxpk= 20, iat= 712, 698, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 3 HIS HB- 44 VAL HA 4.50 (# 93:20 Unique 2.91, 3.83 A)
&rst
ixpk= 93, nxpk= 20, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 33, 34,
&end
#
# 44 VAL MGY 44 VAL HA 3.50 (# 94:20 Unique 2.42, 3.16 A)
&rst
ixpk= 94, nxpk= 20, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 44 VAL MGX 44 VAL HA 3.50 (# 95:20 Unique 2.42, 3.16 A)
&rst
ixpk= 95, nxpk= 20, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 3 HIS HB+ 44 VAL HA 5.50 (# 96:20 Unique 2.91, 3.83 A)
&rst
ixpk= 96, nxpk= 20, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 33, 34,
&end
#
# 0 AMB 20-2:97 44 VAL HA 4.50 (# 97:20 Single Ambig)
&rst
ixpk= 97, nxpk= 20, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 719, 720, 716, 717, 552, 553, 554,
&end
#
# 0 AMB 20-2:99 13 TYR HA 3.50 (# 99:20 Single Ambig)
&rst
ixpk= 99, nxpk= 20, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 203, 258,
&end
#
# 13 TYR HB+ 13 TYR HA 4.50 (# 100:20 Unique 2.39, 2.80 A)
&rst
ixpk= 100, 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 (# 101:20 Unique 2.39, 2.80 A)
&rst
ixpk= 101, nxpk= 20, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 207, 208,
&end
#
# 17 HIS HB+ 13 TYR HA 4.50 (# 102:20 Unique 2.02, 2.91 A)
&rst
ixpk= 102, nxpk= 20, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 277, 278,
&end
#
# 9 VAL HN 9 VAL HA 4.50 (# 103:20 Unique 2.73, 2.80 A)
&rst
ixpk= 103, nxpk= 20, iat= 141, 143, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:104 9 VAL HA 2.80 (# 104:20 Single Ambig)
&rst
ixpk= 104, 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 (# 105:20 Unique 2.52, 2.55 A)
&rst
ixpk= 105, nxpk= 20, iat= 145, 143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:106 0 AMB 20-1:106 3.50 (# 106:20 Double Ambig)
&rst
ixpk= 106, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 399, 400, 876, 877,
igr2= 143, 839,
&end
#
# 25 PRO HB- 9 VAL HA 5.50 (# 107:20 Unique 2.25, 3.75 A)
&rst
ixpk= 107, nxpk= 20, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 399, 400,
&end
#
# 9 VAL MGY 9 VAL HA 3.50 (# 108:20 Unique 2.39, 3.49 A)
&rst
ixpk= 108, 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
#
# 53 GLN HG+ 53 GLN HA 3.50 (# 110:20 Unique 2.30, 2.99 A)
&rst
ixpk= 110, nxpk= 20, iat= -1, 839, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 844, 845,
&end
#
# 53 GLN HB- 53 GLN HA 2.80 (# 111:20 Unique 2.32, 2.77 A)
&rst
ixpk= 111, nxpk= 20, iat= -1, 839, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 841, 842,
&end
#
# 0 AMB 20-2:113 53 GLN HA 2.80 (# 113:20 Single Ambig)
&rst
ixpk= 113, nxpk= 20, iat= -1, 839, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 879, 880, 841, 842, 876, 877,
&end
#
# 26 LEU MDX 53 GLN HA 3.50 (# 114:20 Unique 2.35, 4.57 A)
&rst
ixpk= 114, nxpk= 20, iat= -1, 839, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 415, 416, 417, 419, 420, 421,
&end
#
# 44 VAL HN 69 VAL HA 4.50 (# 115:20 Unique 2.33, 2.68 A)
&rst
ixpk= 115, nxpk= 20, iat= 696,1078, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 69 VAL HN 69 VAL HA 4.50 (# 116:20 Unique 2.89, 2.94 A)
&rst
ixpk= 116, nxpk= 20, iat=1076,1078, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:117 69 VAL HA 3.50 (# 117:20 Single Ambig)
&rst
ixpk= 117, nxpk= 20, iat= -1,1078, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 700,1080,
&end
#
# 70 GLU HN 69 VAL HA 2.80 (# 118:20 Unique 2.20, 2.27 A)
&rst
ixpk= 118, nxpk= 20, iat=1092,1078, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 LEU HN 7 VAL HA 4.50 (# 119:20 Unique 3.43, 3.58 A)
&rst
ixpk= 119, nxpk= 20, iat= 406, 103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 8 ARG HN 7 VAL HA 4.50 (# 120:20 Unique 2.40, 2.96 A)
&rst
ixpk= 120, nxpk= 20, iat= 117, 103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 VAL HN 7 VAL HA 4.50 (# 121:20 Unique 2.97, 2.99 A)
&rst
ixpk= 121, nxpk= 20, iat= 101, 103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 PRO HA 7 VAL HA 4.50 (# 122:20 Unique 2.38, 2.75 A)
&rst
ixpk= 122, nxpk= 20, iat= 402, 103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 VAL HB 7 VAL HA 3.50 (# 123:20 Unique 2.35, 2.39 A)
&rst
ixpk= 123, 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 (# 124:20 Unique 2.43, 3.52 A)
&rst
ixpk= 124, 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 (# 125:20 Unique 2.43, 3.52 A)
&rst
ixpk= 125, 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
#
# 24 ILE HN 7 VAL HA 5.50 (# 126:20 Unique 2.78, 3.08 A)
&rst
ixpk= 126, nxpk= 20, iat= 373, 103, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 11 GLU HN 11 GLU HA 3.50 (# 127:20 Unique 2.74, 2.79 A)
&rst
ixpk= 127, nxpk= 20, iat= 171, 173, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:128 11 GLU HA 2.80 (# 128:20 Single Ambig)
&rst
ixpk= 128, nxpk= 20, iat= -1, 173, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 175, 176, 175, 176,
&end
#
# 30 LYS HN 30 LYS HA 3.50 (# 129:20 Unique 2.78, 2.87 A)
&rst
ixpk= 129, nxpk= 20, iat= 478, 480, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 31 GLU HN 30 LYS HA 4.50 (# 130:20 Unique 3.37, 3.50 A)
&rst
ixpk= 130, nxpk= 20, iat= 500, 480, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:131 0 AMB 20-1:131 2.80 (# 131:20 Double Ambig)
&rst
ixpk= 131, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 482, 483, 959, 960,
igr2= 480, 901,
&end
#
# 83 VAL HN 83 VAL HA 4.50 (# 132:20 Unique 2.87, 2.94 A)
&rst
ixpk= 132, 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 (# 133:20 Unique 2.18, 2.32 A)
&rst
ixpk= 133, nxpk= 20, iat=1296,1282, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 83 VAL HB 83 VAL HA 3.50 (# 134:20 Unique 2.38, 2.53 A)
&rst
ixpk= 134, nxpk= 20, iat=1284,1282, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:135 0 AMB 20-1:135 2.80 (# 135:20 Double Ambig)
&rst
ixpk= 135, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 928, 929, 178, 179, 178, 179,
igr2= 923, 173,
&end
#
# 59 GLU HN 58 LYS HA 5.50 (# 136:20 Unique 3.60, 3.61 A)
&rst
ixpk= 136, nxpk= 20, iat= 921, 901, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:137 0 AMB 20-1:137 3.50 (# 137:20 Double Ambig)
&rst
ixpk= 137, 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
#
# 58 LYS HB- 58 LYS HA 2.80 (# 138:20 Unique 2.42, 2.77 A)
&rst
ixpk= 138, nxpk= 20, iat= -1, 901, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 903, 904,
&end
#
# 0 AMB 20-2:139 0 AMB 20-1:139 3.50 (# 139:20 Double Ambig)
&rst
ixpk= 139, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 485, 486, 906, 907,
igr2= 480, 901,
&end
#
# 0 AMB 20-2:140 0 AMB 20-1:140 2.80 (# 140:20 Double Ambig)
&rst
ixpk= 140, 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, 942, 943, 944, 740, 741, 742, 744, 745,
746,
igr2= 901, 480,
&end
#
# 61 LEU MDY 0 AMB 20-1:141 5.50 (# 141:20 Single Ambig)
&rst
ixpk= 141, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 964, 965, 966, 968, 969, 970,
igr2= 901, 480,
&end
#
# 0 AMB 20-2:143 58 LYS HA 3.50 (# 143:20 Single Ambig)
&rst
ixpk= 143, nxpk= 20, iat= -1, 901, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 906, 907, 959, 960,
&end
#
# 83 VAL MGY 83 VAL HA 3.50 (# 144:20 Unique 2.38, 3.50 A)
&rst
ixpk= 144, 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
#
# 14 GLN HN 11 GLU HA 4.50 (# 145:20 Unique 3.13, 3.52 A)
&rst
ixpk= 145, nxpk= 20, iat= 224, 173, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 TYR HN 66 TYR HA 4.50 (# 146:20 Unique 2.76, 2.90 A)
&rst
ixpk= 146, 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 (# 147:20 Unique 2.16, 2.25 A)
&rst
ixpk= 147, 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 (# 149:20 Unique 2.27, 2.74 A)
&rst
ixpk= 149, 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 (# 150:20 Unique 2.09, 3.13 A)
&rst
ixpk= 150, 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 4.50 (# 151:20 Unique 2.09, 3.13 A)
&rst
ixpk= 151, nxpk= 20, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 638, 639,
&end
#
# 0 AMB 20-2:152 66 TYR HA 4.50 (# 152:20 Single Ambig)
&rst
ixpk= 152, nxpk= 20, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 644, 645, 641, 642,
&end
#
# 66 TYR HB- 66 TYR HA 4.50 (# 154:20 Unique 2.27, 2.74 A)
&rst
ixpk= 154, nxpk= 20, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1028,1029,
&end
#
# 59 GLU HN 59 GLU HA 3.50 (# 155:20 Unique 2.86, 2.87 A)
&rst
ixpk= 155, nxpk= 20, iat= 921, 923, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 ASN HN 22 ILE HA 3.50 (# 156:20 Unique 2.16, 2.22 A)
&rst
ixpk= 156, nxpk= 20, iat= 359, 342, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 ILE HB 22 ILE HA 3.50 (# 158:20 Unique 2.43, 2.63 A)
&rst
ixpk= 158, 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 (# 159:20 Unique 2.67, 3.65 A)
&rst
ixpk= 159, nxpk= 20, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 350, 351,
&end
#
# 22 ILE HG1+ 22 ILE HA 5.50 (# 160:20 Unique 2.67, 3.65 A)
&rst
ixpk= 160, nxpk= 20, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 350, 351,
&end
#
# 0 AMB 20-2:161 22 ILE HA 3.50 (# 161:20 Single Ambig)
&rst
ixpk= 161, 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
#
# 52 ARG HN 52 ARG HA 5.50 (# 162:20 Unique 2.72, 2.82 A)
&rst
ixpk= 162, nxpk= 20, iat= 813, 815, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 55 GLY HN 52 ARG HA 5.50 (# 163:20 Unique 2.72, 3.24 A)
&rst
ixpk= 163, nxpk= 20, iat= 865, 815, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:164 52 ARG HA 5.50 (# 164:20 Single Ambig)
&rst
ixpk= 164, 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 20-2:165 52 ARG HA 2.80 (# 165:20 Single Ambig)
&rst
ixpk= 165, nxpk= 20, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 817, 818, 817, 818,
&end
#
# 52 ARG HG+ 52 ARG HA 3.50 (# 166:20 Unique 2.62, 3.43 A)
&rst
ixpk= 166, nxpk= 20, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 820, 821,
&end
#
# 63 GLU HN 63 GLU HA 3.50 (# 167:20 Unique 2.84, 2.86 A)
&rst
ixpk= 167, nxpk= 20, iat= 985, 987, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:168 63 GLU HA 4.50 (# 168:20 Single Ambig)
&rst
ixpk= 168, nxpk= 20, iat= -1, 987, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1017,1000,
&end
#
# 63 GLU HG+ 63 GLU HA 3.50 (# 169:20 Unique 2.40, 2.85 A)
&rst
ixpk= 169, nxpk= 20, iat= -1, 987, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 992, 993,
&end
#
# 0 AMB 20-2:170 63 GLU HA 2.80 (# 170:20 Single Ambig)
&rst
ixpk= 170, nxpk= 20, iat= -1, 987, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 989, 990, 989, 990,
&end
#
# 58 LYS HN 56 GLN HA 4.50 (# 171:20 Unique 4.23, 4.33 A)
&rst
ixpk= 171, nxpk= 20, iat= 899, 874, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 GLU HN 56 GLN HA 4.50 (# 172:20 Unique 3.54, 3.62 A)
&rst
ixpk= 172, nxpk= 20, iat= 921, 874, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:173 56 GLN HA 2.80 (# 173:20 Single Ambig)
&rst
ixpk= 173, nxpk= 20, iat= -1, 874, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 876, 877, 879, 880,
&end
#
# 0 AMB 20-2:174 56 GLN HA 2.80 (# 174:20 Single Ambig)
&rst
ixpk= 174, nxpk= 20, iat= -1, 874, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 876, 877, 925, 926, 925, 926,
&end
#
# 15 GLN HN 15 GLN HA 3.50 (# 175:20 Unique 2.83, 2.92 A)
&rst
ixpk= 175, nxpk= 20, iat= 241, 243, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:176 15 GLN HA 2.80 (# 176:20 Single Ambig)
&rst
ixpk= 176, 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 4.50 (# 177:20 Unique 2.67, 4.10 A)
&rst
ixpk= 177, nxpk= 20, iat=1318, 243, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:178 0 AMB 20-1:178 4.50 (# 178:20 Double Ambig)
&rst
ixpk= 178, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 258, 582, 368, 369,
igr2= 243, 594, 375,
&end
#
# 15 GLN HG- 15 GLN HA 3.50 (# 179:20 Unique 2.58, 3.75 A)
&rst
ixpk= 179, 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 (# 180:20 Unique 2.62, 2.69 A)
&rst
ixpk= 180, nxpk= 20, iat= 406, 408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 LEU HB+ 26 LEU HA 3.50 (# 181:20 Unique 2.41, 2.75 A)
&rst
ixpk= 181, nxpk= 20, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 410, 411,
&end
#
# 0 AMB 20-2:182 26 LEU HA 2.80 (# 182:20 Single Ambig)
&rst
ixpk= 182, nxpk= 20, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 410, 411, 893, 894, 895,
&end
#
# 0 AMB 20-2:183 26 LEU HA 2.80 (# 183:20 Single Ambig)
&rst
ixpk= 183, nxpk= 20, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 415, 416, 417, 419, 420, 421, 468, 469, 470, 472,
473, 474,
&end
#
# 29 VAL HN 26 LEU HA 4.50 (# 184:20 Unique 3.37, 3.46 A)
&rst
ixpk= 184, nxpk= 20, iat= 462, 408, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 VAL HB 26 LEU HA 3.50 (# 185:20 Unique 2.70, 2.93 A)
&rst
ixpk= 185, nxpk= 20, iat= 105, 408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 VAL HB 26 LEU HA 4.50 (# 186:20 Unique 2.45, 2.71 A)
&rst
ixpk= 186, nxpk= 20, iat= 466, 408, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 27 LYS HN 27 LYS HA 3.50 (# 187:20 Unique 2.82, 2.86 A)
&rst
ixpk= 187, nxpk= 20, iat= 425, 427, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:188 0 AMB 20-1:188 2.80 (# 188:20 Double Ambig)
&rst
ixpk= 188, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 429, 430, 519, 520, 522, 523,
igr2= 427, 375,
&end
#
# 0 AMB 20-2:189 27 LYS HA 3.50 (# 189:20 Single Ambig)
&rst
ixpk= 189, 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 20-2:190 27 LYS HA 4.50 (# 190:20 Single Ambig)
&rst
ixpk= 190, nxpk= 20, iat= -1, 427, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 447, 478,
&end
#
# 76 LYS HN 76 LYS HA 3.50 (# 191:20 Unique 2.79, 2.84 A)
&rst
ixpk= 191, nxpk= 20, iat=1164,1166, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 75 LEU HB+ 76 LYS HA 5.50 (# 192:20 Unique 4.28, 5.14 A)
&rst
ixpk= 192, nxpk= 20, iat= -1,1166, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1149,1150,
&end
#
# 0 AMB 20-2:193 76 LYS HA 3.50 (# 193:20 Single Ambig)
&rst
ixpk= 193, nxpk= 20, iat= -1,1166, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1171,1172,1171,1172,
&end
#
# 12 GLN HN 12 GLN HA 3.50 (# 194:20 Unique 2.84, 2.90 A)
&rst
ixpk= 194, nxpk= 20, iat= 186, 188, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:195 12 GLN HA 5.50 (# 195:20 Single Ambig)
&rst
ixpk= 195, nxpk= 20, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 258, 203,
&end
#
# 15 GLN HN 12 GLN HA 4.50 (# 196:20 Unique 2.88, 3.60 A)
&rst
ixpk= 196, nxpk= 20, iat= 241, 188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:197 12 GLN HA 2.80 (# 197:20 Single Ambig)
&rst
ixpk= 197, nxpk= 20, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 190, 191, 190, 191, 245, 246, 245, 246,
&end
#
# 15 GLN HG- 12 GLN HA 2.80 (# 198:20 Unique 2.16, 2.99 A)
&rst
ixpk= 198, nxpk= 20, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 248, 249,
&end
#
# 25 PRO HD+ 24 ILE HA 3.50 (# 199:20 Unique 2.22, 2.44 A)
&rst
ixpk= 199, nxpk= 20, iat= -1, 375, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 393, 394,
&end
#
# 0 AMB 20-2:200 0 AMB 20-1:200 2.80 (# 200:20 Double Ambig)
&rst
ixpk= 200, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 609, 610, 393, 394,
igr2= 594, 375,
&end
#
# 0 AMB 20-2:201 24 ILE HA 2.80 (# 201:20 Single Ambig)
&rst
ixpk= 201, nxpk= 20, iat= -1, 375, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 379, 380, 381, 386, 387, 388,
&end
#
# 39 ASP HN 37 VAL HA 5.50 (# 202:20 Unique 3.22, 3.64 A)
&rst
ixpk= 202, nxpk= 20, iat= 622, 594, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:203 0 AMB 20-1:203 2.80 (# 203:20 Double Ambig)
&rst
ixpk= 203, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 596,1300,1301, 396, 397,
igr2= 594, 243, 375,
&end
#
# 37 VAL MGY 37 VAL HA 2.80 (# 204:20 Unique 2.37, 3.14 A)
&rst
ixpk= 204, 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
#
# 37 VAL HN 37 VAL HA 3.50 (# 205:20 Unique 2.94, 2.96 A)
&rst
ixpk= 205, nxpk= 20, iat= 592, 594, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 38 PRO HD+ 37 VAL HA 2.80 (# 206:20 Unique 2.15, 2.54 A)
&rst
ixpk= 206, 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 (# 207:20 Unique 2.37, 3.14 A)
&rst
ixpk= 207, 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
#
# 77 ASP HN 76 LYS HA 4.50 (# 208:20 Unique 3.42, 3.54 A)
&rst
ixpk= 208, nxpk= 20, iat=1186,1166, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:209 76 LYS HA 2.80 (# 209:20 Single Ambig)
&rst
ixpk= 209, 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 20-2:210 0 AMB 20-1:210 4.50 (# 210:20 Double Ambig)
&rst
ixpk= 210, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 373, 462,
igr2= 375, 427,
&end
#
# 76 LYS HN 75 LEU HA 5.50 (# 211:20 Unique 3.51, 3.57 A)
&rst
ixpk= 211, nxpk= 20, iat=1164,1147, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 75 LEU HN 75 LEU HA 4.50 (# 212:20 Unique 2.22, 2.77 A)
&rst
ixpk= 212, nxpk= 20, iat=1145,1147, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 LEU HB+ 75 LEU HA 3.50 (# 213:20 Unique 2.37, 2.75 A)
&rst
ixpk= 213, nxpk= 20, iat= -1,1147, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1149,1150,
&end
#
# 78 ILE HG1- 75 LEU HA 4.50 (# 214:20 Unique 2.05, 3.53 A)
&rst
ixpk= 214, nxpk= 20, iat= -1,1147, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1208,1209,
&end
#
# 75 LEU MDY 75 LEU HA 2.80 (# 215:20 Unique 2.17, 3.86 A)
&rst
ixpk= 215, nxpk= 20, iat= -1,1147, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1154,1155,1156,1158,1159,1160,
&end
#
# 78 ILE QD1 75 LEU HA 2.80 (# 216:20 Unique 2.19, 3.62 A)
&rst
ixpk= 216, nxpk= 20, iat= -1,1147, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1211,1212,1213,
&end
#
# 0 AMB 20-2:217 75 LEU HA 4.50 (# 217:20 Single Ambig)
&rst
ixpk= 217, nxpk= 20, iat= -1,1147, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1208,1209,1154,1155,1156,1158,1159,1160,
&end
#
# 19 GLN HN 19 GLN HA 3.50 (# 218:20 Unique 2.76, 2.84 A)
&rst
ixpk= 218, nxpk= 20, iat= 306, 308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 19 GLN HB+ 19 GLN HA 2.80 (# 220:20 Unique 2.18, 2.73 A)
&rst
ixpk= 220, nxpk= 20, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 310, 311,
&end
#
# 19 GLN HB- 19 GLN HA 2.80 (# 222:20 Unique 2.18, 2.73 A)
&rst
ixpk= 222, nxpk= 20, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 310, 311,
&end
#
# 5 ILE HN 46 VAL HA 4.50 (# 223:20 Unique 2.73, 2.97 A)
&rst
ixpk= 223, nxpk= 20, iat= 70, 736, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:224 46 VAL HA 2.80 (# 224:20 Single Ambig)
&rst
ixpk= 224, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 750, 734,
&end
#
# 0 AMB 20-2:225 46 VAL HA 2.80 (# 225:20 Single Ambig)
&rst
ixpk= 225, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 74, 738,
&end
#
# 46 VAL MGY 46 VAL HA 2.80 (# 226:20 Unique 2.37, 3.49 A)
&rst
ixpk= 226, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 740, 741, 742, 744, 745, 746,
&end
#
# 5 ILE QG2 46 VAL HA 4.50 (# 227:20 Unique 4.02, 5.14 A)
&rst
ixpk= 227, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 76, 77, 78,
&end
#
# 0 AMB 20-2:228 31 GLU HA 2.80 (# 228:20 Single Ambig)
&rst
ixpk= 228, nxpk= 20, iat= -1, 502, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 507, 508, 507, 508,
&end
#
# 20 GLY HN 19 GLN HA 3.50 (# 229:20 Unique 2.15, 2.32 A)
&rst
ixpk= 229, nxpk= 20, iat= 323, 308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:230 19 GLN HA 4.50 (# 230:20 Single Ambig)
&rst
ixpk= 230, nxpk= 20, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1280, 330,
&end
#
# 19 GLN HG- 19 GLN HA 3.50 (# 231:20 Unique 2.43, 3.16 A)
&rst
ixpk= 231, nxpk= 20, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 313, 314,
&end
#
# 83 VAL MGX 19 GLN HA 2.80 (# 232:20 Unique 2.29, 4.28 A)
&rst
ixpk= 232, nxpk= 20, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 14 GLN HN 14 GLN HA 3.50 (# 233:20 Unique 2.75, 2.86 A)
&rst
ixpk= 233, nxpk= 20, iat= 224, 226, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:234 14 GLN HA 5.50 (# 234:20 Single Ambig)
&rst
ixpk= 234, nxpk= 20, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 258, 203,
&end
#
# 15 GLN HN 14 GLN HA 4.50 (# 235:20 Unique 3.22, 3.53 A)
&rst
ixpk= 235, nxpk= 20, iat= 241, 226, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:236 14 GLN HA 3.50 (# 236:20 Single Ambig)
&rst
ixpk= 236, 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 20-2:237 14 GLN HA 2.80 (# 237:20 Single Ambig)
&rst
ixpk= 237, nxpk= 20, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 228, 229, 228, 229,
&end
#
# 78 ILE HN 75 LEU HA 4.50 (# 239:20 Unique 2.95, 3.45 A)
&rst
ixpk= 239, nxpk= 20, iat=1198,1147, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:240 0 AMB 20-1:240 2.80 (# 240:20 Double Ambig)
&rst
ixpk= 240, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 638, 639,1149,1150,
igr2= 636,1147,
&end
#
# 0 AMB 20-2:241 31 GLU HA 5.50 (# 241:20 Single Ambig)
&rst
ixpk= 241, nxpk= 20, iat= -1, 502, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 482, 483, 522, 523, 519, 520,
&end
#
# 32 ARG HN 31 GLU HA 4.50 (# 242:20 Unique 3.26, 3.55 A)
&rst
ixpk= 242, nxpk= 20, iat= 515, 502, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 31 GLU HN 31 GLU HA 3.50 (# 243:20 Unique 2.92, 2.98 A)
&rst
ixpk= 243, nxpk= 20, iat= 500, 502, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 ARG HA 31 GLU HA 5.50 (# 244:20 Unique 4.60, 4.77 A)
&rst
ixpk= 244, nxpk= 20, iat= 517, 502, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:245 31 GLU HA 2.80 (# 245:20 Single Ambig)
&rst
ixpk= 245, nxpk= 20, iat= -1, 502, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 504, 505, 504, 505,
&end
#
# 61 LEU HN 61 LEU HA 3.50 (# 246:20 Unique 2.83, 2.86 A)
&rst
ixpk= 246, nxpk= 20, iat= 955, 957, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:247 61 LEU HA 3.50 (# 247:20 Single Ambig)
&rst
ixpk= 247, nxpk= 20, iat= -1, 957, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1004,1005,1007,1008,
&end
#
# 64 MET HB- 61 LEU HA 3.50 (# 248:20 Unique 2.09, 3.00 A)
&rst
ixpk= 248, nxpk= 20, iat= -1, 957, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1004,1005,
&end
#
# 61 LEU HG 61 LEU HA 3.50 (# 249:20 Unique 2.73, 3.13 A)
&rst
ixpk= 249, nxpk= 20, iat= 962, 957, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 61 LEU HB- 61 LEU HA 3.50 (# 250:20 Unique 2.44, 2.77 A)
&rst
ixpk= 250, nxpk= 20, iat= -1, 957, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 959, 960,
&end
#
# 61 LEU MDX 61 LEU HA 2.80 (# 251:20 Unique 2.15, 3.75 A)
&rst
ixpk= 251, nxpk= 20, iat= -1, 957, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 964, 965, 966, 968, 969, 970,
&end
#
# 41 ASN HN 40 LYS HA 4.50 (# 252:20 Unique 3.28, 3.38 A)
&rst
ixpk= 252, nxpk= 20, iat= 656, 636, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 LYS HN 40 LYS HA 4.50 (# 253:20 Unique 2.77, 2.82 A)
&rst
ixpk= 253, nxpk= 20, iat= 634, 636, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 ASP HN 40 LYS HA 5.50 (# 254:20 Unique 3.28, 3.54 A)
&rst
ixpk= 254, nxpk= 20, iat= 670, 636, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:257 40 LYS HA 4.50 (# 257:20 Single Ambig)
&rst
ixpk= 257, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1026, 624,
&end
#
# 40 LYS HG+ 40 LYS HA 3.50 (# 258:20 Unique 2.49, 3.53 A)
&rst
ixpk= 258, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 641, 642,
&end
#
# 0 AMB 20-2:259 0 AMB 20-1:259 3.50 (# 259:20 Double Ambig)
&rst
ixpk= 259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 641, 642, 296, 297, 298, 300, 301, 302,
igr2= 636,1147,
&end
#
# 40 LYS HB- 40 LYS HA 3.50 (# 261:20 Unique 2.31, 2.52 A)
&rst
ixpk= 261, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 638, 639,
&end
#
# 0 AMB 20-2:262 61 LEU HA 4.50 (# 262:20 Single Ambig)
&rst
ixpk= 262, nxpk= 20, iat= -1, 957, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1000,1017,
&end
#
# 5 ILE HN 4 TRP HA 2.80 (# 263:20 Unique 2.18, 2.25 A)
&rst
ixpk= 263, nxpk= 20, iat= 70, 48, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 4 TRP HN 4 TRP HA 4.50 (# 264:20 Unique 2.91, 2.96 A)
&rst
ixpk= 264, nxpk= 20, iat= 46, 48, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 4 TRP HB+ 4 TRP HA 3.50 (# 266:20 Unique 2.31, 2.73 A)
&rst
ixpk= 266, nxpk= 20, iat= -1, 48, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 50, 51,
&end
#
# 0 AMB 20-2:267 4 TRP HA 5.50 (# 267:20 Single Ambig)
&rst
ixpk= 267, nxpk= 20, iat= -1, 48, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 80, 81, 80, 81,
&end
#
# 45 LYS HB+ 4 TRP HA 3.50 (# 268:20 Unique 2.27, 3.27 A)
&rst
ixpk= 268, nxpk= 20, iat= -1, 48, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 716, 717,
&end
#
# 0 AMB 20-2:270 4 TRP HA 4.50 (# 270:20 Single Ambig)
&rst
ixpk= 270, nxpk= 20, iat= -1, 48, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 722, 723, 719, 720, 702, 703, 704, 706, 707, 708,
&end
#
# 33 ILE HN 32 ARG HA 4.50 (# 271:20 Unique 3.49, 3.55 A)
&rst
ixpk= 271, nxpk= 20, iat= 539, 517, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 ARG HN 32 ARG HA 3.50 (# 272:20 Unique 2.74, 2.89 A)
&rst
ixpk= 272, nxpk= 20, iat= 515, 517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:273 32 ARG HA 4.50 (# 273:20 Single Ambig)
&rst
ixpk= 273, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 525, 526, 525, 526,
&end
#
# 0 AMB 20-2:274 32 ARG HA 2.80 (# 274:20 Single Ambig)
&rst
ixpk= 274, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 522, 523, 519, 520,
&end
#
# 32 ARG HG- 32 ARG HA 2.80 (# 275:20 Unique 2.46, 2.79 A)
&rst
ixpk= 275, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 522, 523,
&end
#
# 0 AMB 20-2:276 32 ARG HA 5.50 (# 276:20 Single Ambig)
&rst
ixpk= 276, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 379, 380, 381, 386, 387, 388,
&end
#
# 35 THR HN 32 ARG HA 5.50 (# 277:20 Unique 3.35, 3.61 A)
&rst
ixpk= 277, nxpk= 20, iat= 568, 517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:278 32 ARG HA 5.50 (# 278:20 Single Ambig)
&rst
ixpk= 278, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 504, 505, 504, 505,
&end
#
# 0 AMB 20-2:279 47 TYR HA 2.80 (# 279:20 Single Ambig)
&rst
ixpk= 279, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 750,1138,
&end
#
# 54 SER HB+ 47 TYR HA 4.50 (# 281:20 Unique 2.10, 2.93 A)
&rst
ixpk= 281, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 858, 859,
&end
#
# 47 TYR HB+ 47 TYR HA 3.50 (# 282:20 Unique 2.22, 2.47 A)
&rst
ixpk= 282, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 754, 755,
&end
#
# 47 TYR HB- 47 TYR HA 3.50 (# 283:20 Unique 2.22, 2.47 A)
&rst
ixpk= 283, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 754, 755,
&end
#
# 72 ALA MB 47 TYR HA 5.50 (# 284:20 Unique 2.44, 4.92 A)
&rst
ixpk= 284, 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 (# 285:20 Unique 2.10, 2.93 A)
&rst
ixpk= 285, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 858, 859,
&end
#
# 78 ILE QD1 47 TYR HA 5.50 (# 286:20 Unique 3.42, 5.00 A)
&rst
ixpk= 286, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1211,1212,1213,
&end
#
# 45 LYS HN 4 TRP HA 4.50 (# 287:20 Unique 2.68, 3.05 A)
&rst
ixpk= 287, nxpk= 20, iat= 712, 48, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:288 4 TRP HA 4.50 (# 288:20 Single Ambig)
&rst
ixpk= 288, nxpk= 20, iat= -1, 48, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 74, 334, 335, 336, 18, 19, 18, 19,
&end
#
# 0 AMB 20-2:289 64 MET HA 3.50 (# 289:20 Single Ambig)
&rst
ixpk= 289, nxpk= 20, iat= -1,1002, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1000,1017,
&end
#
# 64 MET HG+ 64 MET HA 3.50 (# 290:20 Unique 2.49, 3.11 A)
&rst
ixpk= 290, nxpk= 20, iat= -1,1002, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1007,1008,
&end
#
# 0 AMB 20-2:291 64 MET HA 2.80 (# 291:20 Single Ambig)
&rst
ixpk= 291, nxpk= 20, iat= -1,1002, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1004,1005,1007,1008,
&end
#
# 64 MET HB- 64 MET HA 3.50 (# 292:20 Unique 2.40, 2.79 A)
&rst
ixpk= 292, nxpk= 20, iat= -1,1002, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1004,1005,
&end
#
# 0 AMB 20-2:293 64 MET HA 4.50 (# 293:20 Single Ambig)
&rst
ixpk= 293, nxpk= 20, iat= -1,1002, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1011,1012,1013, 989, 990, 989, 990,
&end
#
# 49 ASN HB+ 49 ASN HA 3.50 (# 294:20 Unique 2.25, 2.70 A)
&rst
ixpk= 294, nxpk= 20, iat= -1, 784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 786, 787,
&end
#
# 0 AMB 20-2:295 49 ASN HA 3.50 (# 295:20 Single Ambig)
&rst
ixpk= 295, nxpk= 20, iat= -1, 784, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 786, 787, 791, 792,
&end
#
# 75 LEU HB+ 49 ASN HA 4.50 (# 296:20 Unique 2.27, 3.38 A)
&rst
ixpk= 296, nxpk= 20, iat= -1, 784, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1149,1150,
&end
#
# 75 LEU HB- 49 ASN HA 4.50 (# 297:20 Unique 2.27, 3.38 A)
&rst
ixpk= 297, nxpk= 20, iat= -1, 784, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1149,1150,
&end
#
# 0 AMB 20-2:298 49 ASN HA 5.50 (# 298:20 Single Ambig)
&rst
ixpk= 298, nxpk= 20, iat= -1, 784, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 127, 128,1140,1141,
&end
#
# 17 HIS HN 16 GLU HA 3.50 (# 299:20 Unique 2.17, 2.28 A)
&rst
ixpk= 299, nxpk= 20, iat= 273, 260, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 GLU HN 16 GLU HA 4.50 (# 300:20 Unique 2.62, 2.79 A)
&rst
ixpk= 300, nxpk= 20, iat= 258, 260, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 GLU HB+ 16 GLU HA 4.50 (# 301:20 Unique 2.31, 2.46 A)
&rst
ixpk= 301, nxpk= 20, iat= -1, 260, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 262, 263,
&end
#
# 0 AMB 20-2:302 8 ARG HA 4.50 (# 302:20 Single Ambig)
&rst
ixpk= 302, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 124, 125, 124, 125,
&end
#
# 9 VAL HN 8 ARG HA 2.80 (# 303:20 Unique 2.36, 2.53 A)
&rst
ixpk= 303, nxpk= 20, iat= 141, 119, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 8 ARG HB+ 8 ARG HA 3.50 (# 304:20 Unique 2.35, 2.83 A)
&rst
ixpk= 304, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 121, 122,
&end
#
# 8 ARG HB- 8 ARG HA 3.50 (# 305:20 Unique 2.35, 2.83 A)
&rst
ixpk= 305, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 121, 122,
&end
#
# 9 VAL MGY 8 ARG HA 5.50 (# 306:20 Unique 4.02, 5.17 A)
&rst
ixpk= 306, 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 MGX 8 ARG HA 5.50 (# 307:20 Unique 4.02, 5.17 A)
&rst
ixpk= 307, 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
#
# 0 AMB 20-2:308 28 GLU HA 3.50 (# 308:20 Single Ambig)
&rst
ixpk= 308, nxpk= 20, iat= -1, 449, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 447, 478,
&end
#
# 29 VAL HN 28 GLU HA 4.50 (# 309:20 Unique 3.30, 3.44 A)
&rst
ixpk= 309, nxpk= 20, iat= 462, 449, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:310 28 GLU HA 5.50 (# 310:20 Single Ambig)
&rst
ixpk= 310, nxpk= 20, iat= -1, 449, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 507, 508, 507, 508,
&end
#
# 0 AMB 20-2:311 28 GLU HA 2.80 (# 311:20 Single Ambig)
&rst
ixpk= 311, nxpk= 20, iat= -1, 449, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 451, 452, 454, 455,
&end
#
# 0 AMB 20-2:312 28 GLU HA 3.50 (# 312:20 Single Ambig)
&rst
ixpk= 312, 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 20-2:313 28 GLU HA 3.50 (# 313:20 Single Ambig)
&rst
ixpk= 313, nxpk= 20, iat= -1, 449, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 451, 452, 482, 483,
&end
#
# 84 LYS HN 84 LYS HA 3.50 (# 314:20 Unique 2.83, 2.90 A)
&rst
ixpk= 314, nxpk= 20, iat=1296,1298, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 85 GLY HN 84 LYS HA 2.80 (# 315:20 Unique 2.21, 2.31 A)
&rst
ixpk= 315, nxpk= 20, iat=1318,1298, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 84 LYS HB+ 84 LYS HA 2.80 (# 316:20 Unique 2.29, 2.64 A)
&rst
ixpk= 316, nxpk= 20, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1300,1301,
&end
#
# 0 AMB 20-2:317 84 LYS HA 3.50 (# 317:20 Single Ambig)
&rst
ixpk= 317, nxpk= 20, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1306,1307,1306,1307,1300,1301,
&end
#
# 0 AMB 20-2:318 84 LYS HA 3.50 (# 318:20 Single Ambig)
&rst
ixpk= 318, nxpk= 20, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1303,1304,1303,1304,
&end
#
# 16 GLU HB+ 84 LYS HA 5.50 (# 319:20 Unique 2.50, 4.01 A)
&rst
ixpk= 319, nxpk= 20, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 262, 263,
&end
#
# 0 AMB 20-2:320 0 AMB 20-1:320 4.50 (# 320:20 Double Ambig)
&rst
ixpk= 320, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 670, 500,
igr2= 672, 449,
&end
#
# 58 LYS HN 57 ALA HA 3.50 (# 321:20 Unique 3.54, 3.55 A)
&rst
ixpk= 321, nxpk= 20, iat= 899, 891, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 ILE HN 57 ALA HA 4.50 (# 322:20 Unique 3.22, 3.36 A)
&rst
ixpk= 322, nxpk= 20, iat= 936, 891, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 GLU HN 57 ALA HA 5.50 (# 323:20 Unique 4.53, 4.62 A)
&rst
ixpk= 323, nxpk= 20, iat= 921, 891, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:324 57 ALA HA 5.50 (# 324:20 Single Ambig)
&rst
ixpk= 324, 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
#
# 60 ILE HB 57 ALA HA 2.80 (# 325:20 Unique 2.21, 2.33 A)
&rst
ixpk= 325, nxpk= 20, iat= 940, 891, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 57 ALA MB 57 ALA HA 2.80 (# 326:20 Unique 2.44, 2.65 A)
&rst
ixpk= 326, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 893, 894, 895,
&end
#
# 0 AMB 20-2:327 57 ALA HA 2.80 (# 327:20 Single Ambig)
&rst
ixpk= 327, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 949, 950, 951, 415, 416, 417, 419, 420, 421,
&end
#
# 61 LEU MDY 57 ALA HA 5.50 (# 328:20 Unique 4.33, 6.01 A)
&rst
ixpk= 328, 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
#
# 0 AMB 20-2:329 57 ALA HA 5.50 (# 329:20 Single Ambig)
&rst
ixpk= 329, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 876, 877, 879, 880,
&end
#
# 60 ILE HG1+ 57 ALA HA 4.50 (# 330:20 Unique 3.42, 4.20 A)
&rst
ixpk= 330, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 946, 947,
&end
#
# 43 THR HN 42 ASP HA 2.80 (# 331:20 Unique 2.17, 2.32 A)
&rst
ixpk= 331, nxpk= 20, iat= 682, 672, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 42 ASP HB+ 42 ASP HA 4.50 (# 332:20 Unique 2.43, 2.76 A)
&rst
ixpk= 332, nxpk= 20, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 674, 675,
&end
#
# 42 ASP HB- 42 ASP HA 3.50 (# 333:20 Unique 2.43, 2.76 A)
&rst
ixpk= 333, nxpk= 20, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 674, 675,
&end
#
# 0 AMB 20-2:335 2 GLU HA 2.80 (# 335:20 Single Ambig)
&rst
ixpk= 335, nxpk= 20, iat= -1, 16, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 29, 682,
&end
#
# 43 THR HB 2 GLU HA 2.80 (# 336:20 Unique 2.08, 2.28 A)
&rst
ixpk= 336, nxpk= 20, iat= 686, 16, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:337 2 GLU HA 3.50 (# 337:20 Single Ambig)
&rst
ixpk= 337, nxpk= 20, iat= -1, 16, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 21, 22, 21, 22,
&end
#
# 0 AMB 20-2:338 2 GLU HA 2.80 (# 338:20 Single Ambig)
&rst
ixpk= 338, nxpk= 20, iat= -1, 16, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 18, 19, 18, 19,
&end
#
# 43 THR MG2 0 AMB 20-1:339 4.50 (# 339:20 Single Ambig)
&rst
ixpk= 339, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 688, 689, 690,
igr2= 16,1061,
&end
#
# 77 ASP HN 77 ASP HA 5.50 (# 341:20 Unique 2.80, 2.90 A)
&rst
ixpk= 341, nxpk= 20, iat=1186,1188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 ASP HB+ 77 ASP HA 4.50 (# 342:20 Unique 2.44, 2.75 A)
&rst
ixpk= 342, nxpk= 20, iat= -1,1188, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1190,1191,
&end
#
# 37 VAL HN 34 ALA HA 4.50 (# 343:20 Unique 3.36, 3.93 A)
&rst
ixpk= 343, nxpk= 20, iat= 592, 560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 ALA HN 34 ALA HA 4.50 (# 344:20 Unique 2.79, 2.83 A)
&rst
ixpk= 344, nxpk= 20, iat= 558, 560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 35 THR HN 34 ALA HA 4.50 (# 345:20 Unique 3.43, 3.54 A)
&rst
ixpk= 345, nxpk= 20, iat= 568, 560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 ALA HN 34 ALA HA 5.50 (# 346:20 Unique 3.70, 4.45 A)
&rst
ixpk= 346, nxpk= 20, iat= 582, 560, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:347 34 ALA HA 5.50 (# 347:20 Single Ambig)
&rst
ixpk= 347, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 615, 616, 596,
&end
#
# 33 ILE QG2 34 ALA HA 4.50 (# 348:20 Unique 3.46, 4.58 A)
&rst
ixpk= 348, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 545, 546, 547,
&end
#
# 82 LYS HN 82 LYS HA 5.50 (# 350:20 Unique 2.94, 2.96 A)
&rst
ixpk= 350, nxpk= 20, iat=1258,1260, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 ASP HB- 77 ASP HA 5.50 (# 352:20 Unique 2.44, 2.75 A)
&rst
ixpk= 352, nxpk= 20, iat= -1,1188, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1190,1191,
&end
#
# 68 HIS HN 68 HIS HA 4.50 (# 353:20 Unique 2.21, 2.90 A)
&rst
ixpk= 353, 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 (# 354:20 Unique 2.15, 2.52 A)
&rst
ixpk= 354, 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 (# 355:20 Unique 2.46, 2.77 A)
&rst
ixpk= 355, nxpk= 20, iat= -1,1061, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1063,1064,
&end
#
# 0 AMB 20-2:356 68 HIS HA 4.50 (# 356:20 Single Ambig)
&rst
ixpk= 356, nxpk= 20, iat= -1,1061, 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
#
# 71 ASN HB+ 70 GLU HA 5.50 (# 357:20 Unique 4.40, 4.70 A)
&rst
ixpk= 357, nxpk= 20, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1111,1112,
&end
#
# 0 AMB 20-2:358 70 GLU HA 4.50 (# 358:20 Single Ambig)
&rst
ixpk= 358, nxpk= 20, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088, 740, 741, 742, 744, 745, 746,
&end
#
# 70 GLU HN 70 GLU HA 3.50 (# 359:20 Unique 2.94, 2.96 A)
&rst
ixpk= 359, nxpk= 20, iat=1092,1094, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 71 ASN HN 70 GLU HA 2.80 (# 360:20 Unique 2.17, 2.25 A)
&rst
ixpk= 360, nxpk= 20, iat=1107,1094, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:361 70 GLU HA 3.50 (# 361:20 Single Ambig)
&rst
ixpk= 361, 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 (# 362:20 Unique 2.46, 2.77 A)
&rst
ixpk= 362, 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 (# 363:20 Unique 2.46, 2.77 A)
&rst
ixpk= 363, nxpk= 20, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1096,1097,
&end
#
# 37 VAL HN 36 ALA HA 4.50 (# 364:20 Unique 3.54, 3.58 A)
&rst
ixpk= 364, nxpk= 20, iat= 592, 584, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 PRO HD- 36 ALA HA 5.50 (# 365:20 Unique 3.77, 4.84 A)
&rst
ixpk= 365, nxpk= 20, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 609, 610,
&end
#
# 36 ALA MB 36 ALA HA 2.80 (# 366:20 Unique 2.42, 2.66 A)
&rst
ixpk= 366, nxpk= 20, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 586, 587, 588,
&end
#
# 22 ILE QD1 36 ALA HA 5.50 (# 367:20 Unique 3.69, 4.71 A)
&rst
ixpk= 367, nxpk= 20, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 353, 354, 355,
&end
#
# 0 AMB 20-2:368 36 ALA HA 5.50 (# 368:20 Single Ambig)
&rst
ixpk= 368, nxpk= 20, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 386, 387, 388, 83, 84, 85, 552, 553, 554,
&end
#
# 37 VAL MGX 36 ALA HA 5.50 (# 369:20 Unique 4.32, 6.15 A)
&rst
ixpk= 369, 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 20-2:370 70 GLU HA 4.50 (# 370:20 Single Ambig)
&rst
ixpk= 370, nxpk= 20, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 909, 910, 903, 904,
&end
#
# 41 ASN HN 39 ASP HA 5.50 (# 371:20 Unique 3.32, 3.59 A)
&rst
ixpk= 371, nxpk= 20, iat= 656, 624, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 39 ASP HN 39 ASP HA 3.50 (# 372:20 Unique 2.90, 2.94 A)
&rst
ixpk= 372, nxpk= 20, iat= 622, 624, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 39 ASP HB+ 39 ASP HA 3.50 (# 373:20 Unique 2.40, 2.74 A)
&rst
ixpk= 373, 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 (# 374:20 Unique 2.40, 2.74 A)
&rst
ixpk= 374, nxpk= 20, iat= -1, 624, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 626, 627,
&end
#
# 40 LYS HB- 39 ASP HA 4.50 (# 375:20 Unique 4.32, 5.21 A)
&rst
ixpk= 375, nxpk= 20, iat= -1, 624, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 638, 639,
&end
#
# 0 AMB 20-2:376 39 ASP HA 4.50 (# 376:20 Single Ambig)
&rst
ixpk= 376, nxpk= 20, iat= -1, 624, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 641, 642, 644, 645,
&end
#
# 0 AMB 20-2:377 72 ALA HA 5.50 (# 377:20 Single Ambig)
&rst
ixpk= 377, nxpk= 20, iat= -1,1123, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 716, 717,1211,1212,1213,
&end
#
# 72 ALA HN 72 ALA HA 3.50 (# 378:20 Unique 2.85, 2.88 A)
&rst
ixpk= 378, nxpk= 20, iat=1121,1123, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 72 ALA MB 72 ALA HA 2.80 (# 380:20 Unique 2.42, 2.66 A)
&rst
ixpk= 380, nxpk= 20, iat= -1,1123, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1125,1126,1127,
&end
#
# 4 TRP HN 21 ALA HA 4.50 (# 381:20 Unique 3.64, 4.22 A)
&rst
ixpk= 381, nxpk= 20, iat= 46, 332, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 ILE HN 21 ALA HA 2.80 (# 382:20 Unique 2.09, 2.26 A)
&rst
ixpk= 382, nxpk= 20, iat= 340, 332, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 21 ALA HN 21 ALA HA 3.50 (# 383:20 Unique 2.85, 2.93 A)
&rst
ixpk= 383, nxpk= 20, iat= 330, 332, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 ALA MB 21 ALA HA 2.80 (# 384:20 Unique 2.38, 2.67 A)
&rst
ixpk= 384, nxpk= 20, iat= -1, 332, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 334, 335, 336,
&end
#
# 0 AMB 20-2:385 21 ALA HA 3.50 (# 385:20 Single Ambig)
&rst
ixpk= 385, nxpk= 20, iat= -1, 332, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 50, 51, 50, 51,
&end
#
# 2 GLU HN 1 ALA HA 2.80 (# 386:20 Unique 2.18, 2.52 A)
&rst
ixpk= 386, nxpk= 20, iat= 14, 6, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:388 1 ALA HA 5.50 (# 388:20 Single Ambig)
&rst
ixpk= 388, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 21, 22, 21, 22,
&end
#
# 0 AMB 20-2:389 1 ALA HA 4.50 (# 389:20 Single Ambig)
&rst
ixpk= 389, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 18, 19, 18, 19,
&end
#
# 1 ALA MB 1 ALA HA 2.80 (# 390:20 Unique 2.42, 2.66 A)
&rst
ixpk= 390, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 8, 9, 10,
&end
#
# 6 ASP HN 6 ASP HA 4.50 (# 391:20 Unique 2.96, 2.98 A)
&rst
ixpk= 391, nxpk= 20, iat= 89, 91, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 TYR HN 6 ASP HA 4.50 (# 392:20 Unique 2.91, 3.30 A)
&rst
ixpk= 392, nxpk= 20, iat= 750, 91, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 VAL HN 6 ASP HA 2.80 (# 393:20 Unique 2.16, 2.22 A)
&rst
ixpk= 393, nxpk= 20, iat= 101, 91, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 7 VAL MGY 6 ASP HA 4.50 (# 395:20 Unique 3.42, 4.88 A)
&rst
ixpk= 395, nxpk= 20, iat= -1, 91, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 6 ASP HB+ 6 ASP HA 4.50 (# 396:20 Unique 2.36, 2.73 A)
&rst
ixpk= 396, 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 3.50 (# 397:20 Unique 2.36, 2.73 A)
&rst
ixpk= 397, nxpk= 20, iat= -1, 91, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 93, 94,
&end
#
# 0 AMB 20-2:398 6 ASP HA 4.50 (# 398:20 Single Ambig)
&rst
ixpk= 398, nxpk= 20, iat= -1, 91, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 107, 108, 109, 111, 112, 113,1154,1155,1156,1158,
1159,1160,
&end
#
# 11 GLU HN 0 AMB 20-1:399 4.50 (# 399:20 Single Ambig)
&rst
ixpk= 399, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 158, 159, 158, 159,
&end
#
# 9 VAL HA 0 AMB 20-1:400 2.80 (# 400:20 Single Ambig)
&rst
ixpk= 400, 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 20-1:401 2.80 (# 401:20 Single Ambig)
&rst
ixpk= 401, 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 20-2:402 0 AMB 20-1:402 4.50 (# 402:20 Double Ambig)
&rst
ixpk= 402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 164, 165, 164, 165,
igr2= 158, 159, 158, 159,
&end
#
# 0 AMB 20-2:403 0 AMB 20-1:403 2.80 (# 403:20 Double Ambig)
&rst
ixpk= 403, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 161, 162, 161, 162, 399, 400,
igr2= 158, 159, 158, 159, 158, 159,
&end
#
# 0 AMB 20-2:404 0 AMB 20-1:404 2.80 (# 404:20 Double Ambig)
&rst
ixpk= 404, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 161, 162, 396, 397,
igr2= 158, 159, 158, 159, 158, 159,
&end
#
# 25 PRO HB- 0 AMB 20-1:405 5.50 (# 405:20 Single Ambig)
&rst
ixpk= 405, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 399, 400,
igr2= 158, 159, 158, 159,
&end
#
# 9 VAL MGY 0 AMB 20-1:406 3.50 (# 406:20 Single Ambig)
&rst
ixpk= 406, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 147, 148, 149, 151, 152, 153,
igr2= 158, 159, 158, 159,
&end
#
# 9 VAL MGX 0 AMB 20-1:407 4.50 (# 407:20 Single Ambig)
&rst
ixpk= 407, 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
#
# 79 ALA HN 79 ALA HA 3.50 (# 408:20 Unique 2.86, 2.91 A)
&rst
ixpk= 408, nxpk= 20, iat=1217,1219, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 80 MET HN 79 ALA HA 2.80 (# 409:20 Unique 2.52, 2.69 A)
&rst
ixpk= 409, nxpk= 20, iat=1227,1219, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 78 ILE HA 79 ALA HA 4.50 (# 410:20 Unique 4.36, 4.43 A)
&rst
ixpk= 410, nxpk= 20, iat=1200,1219, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 79 ALA MB 79 ALA HA 2.80 (# 411:20 Unique 2.46, 2.67 A)
&rst
ixpk= 411, nxpk= 20, iat= -1,1219, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1221,1222,1223,
&end
#
# 78 ILE QG2 79 ALA HA 4.50 (# 412:20 Unique 3.93, 5.34 A)
&rst
ixpk= 412, nxpk= 20, iat= -1,1219, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1204,1205,1206,
&end
#
# 80 MET HB- 81 PRO HD+ 5.50 (# 413:20 Unique 2.07, 3.61 A)
&rst
ixpk= 413, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1231,1232,
igr2=1245,1246,
&end
#
# 80 MET HA 81 PRO HD+ 2.80 (# 414:20 Unique 2.06, 2.48 A)
&rst
ixpk= 414, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1245,1246,
&end
#
# 81 PRO HB+ 81 PRO HD+ 4.50 (# 415:20 Unique 2.81, 3.69 A)
&rst
ixpk= 415, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1251,1252,
igr2=1245,1246,
&end
#
# 81 PRO HG- 81 PRO HD+ 2.80 (# 416:20 Unique 2.32, 2.61 A)
&rst
ixpk= 416, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1248,1249,
igr2=1245,1246,
&end
#
# 0 AMB 20-2:417 0 AMB 20-1:417 3.50 (# 417:20 Double Ambig)
&rst
ixpk= 417, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.53, r4= 7.28,
igr1=1231,1232,1238,1239,1240,1251,1252,
igr2=1245,1246,1245,1246,1245,1246,
&end
#
# 80 MET HA 81 PRO HD- 2.80 (# 418:20 Unique 2.06, 2.48 A)
&rst
ixpk= 418, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1245,1246,
&end
#
# 81 PRO HB+ 81 PRO HD- 4.50 (# 419:20 Unique 2.81, 3.69 A)
&rst
ixpk= 419, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1251,1252,
igr2=1245,1246,
&end
#
# 81 PRO HG+ 81 PRO HD- 2.80 (# 420:20 Unique 2.32, 2.61 A)
&rst
ixpk= 420, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1248,1249,
igr2=1245,1246,
&end
#
# 0 AMB 20-2:421 81 PRO HD- 2.80 (# 421:20 Single Ambig)
&rst
ixpk= 421, 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
#
# 80 MET HB- 81 PRO HD- 4.50 (# 422:20 Unique 2.07, 3.61 A)
&rst
ixpk= 422, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1231,1232,
igr2=1245,1246,
&end
#
# 18 VAL MGX 81 PRO HD- 5.50 (# 423:20 Unique 4.17, 7.06 A)
&rst
ixpk= 423, 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
#
# 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= 4.44, r4= 5.19,
igr1= 396, 397, 454, 455,
igr2= 393, 394, 393, 394,
&end
#
# 25 PRO HB- 25 PRO HD+ 4.50 (# 425:20 Unique 2.73, 3.66 A)
&rst
ixpk= 425, 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 20-2:426 0 AMB 20-1:426 4.50 (# 426:20 Double Ambig)
&rst
ixpk= 426, 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= 393, 394, 393, 394,
&end
#
# 25 PRO HB- 25 PRO HD- 4.50 (# 427:20 Unique 2.73, 3.66 A)
&rst
ixpk= 427, 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 20-2:428 25 PRO HD- 4.50 (# 428:20 Single Ambig)
&rst
ixpk= 428, 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= 393, 394,
&end
#
# 24 ILE HA 25 PRO HD+ 3.50 (# 429:20 Unique 2.22, 2.44 A)
&rst
ixpk= 429, nxpk= 20, iat= 375, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 393, 394,
&end
#
# 0 AMB 20-2:430 0 AMB 20-1:430 5.50 (# 430:20 Double Ambig)
&rst
ixpk= 430, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 582, 368, 369,
igr2= 609, 610, 393, 394,
&end
#
# 0 AMB 20-2:431 0 AMB 20-1:431 2.80 (# 431:20 Double Ambig)
&rst
ixpk= 431, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 594, 375,
igr2= 609, 610, 393, 394,
&end
#
# 38 PRO HA 38 PRO HD+ 5.50 (# 432:20 Unique 3.44, 3.79 A)
&rst
ixpk= 432, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 609, 610,
&end
#
# 0 AMB 20-2:433 0 AMB 20-1:433 2.80 (# 433:20 Double Ambig)
&rst
ixpk= 433, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 612, 613, 612, 613, 396, 397,
igr2= 609, 610, 393, 394,
&end
#
# 37 VAL MGY 38 PRO HD- 5.50 (# 434:20 Unique 3.17, 5.30 A)
&rst
ixpk= 434, 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 MGX 38 PRO HD- 5.50 (# 435:20 Unique 3.17, 5.30 A)
&rst
ixpk= 435, 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 HN 38 PRO HD+ 4.50 (# 436:20 Unique 3.01, 3.79 A)
&rst
ixpk= 436, nxpk= 20, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 609, 610,
&end
#
# 39 ASP HN 38 PRO HD+ 4.50 (# 437:20 Unique 2.51, 3.41 A)
&rst
ixpk= 437, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 609, 610,
&end
#
# 38 PRO HB+ 38 PRO HD+ 4.50 (# 438:20 Unique 2.83, 3.69 A)
&rst
ixpk= 438, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 615, 616,
igr2= 609, 610,
&end
#
# 0 AMB 20-2:439 0 AMB 20-1:439 2.80 (# 439:20 Double Ambig)
&rst
ixpk= 439, 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
#
# 37 VAL MGY 38 PRO HD+ 4.50 (# 440:20 Unique 3.17, 5.30 A)
&rst
ixpk= 440, 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= 609, 610,
&end
#
# 37 VAL MGX 38 PRO HD+ 5.50 (# 441:20 Unique 3.17, 5.30 A)
&rst
ixpk= 441, 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 HA 38 PRO HD+ 2.80 (# 442:20 Unique 2.15, 2.54 A)
&rst
ixpk= 442, nxpk= 20, iat= 594, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 609, 610,
&end
#
# 37 VAL HN 38 PRO HD- 4.50 (# 443:20 Unique 3.01, 3.79 A)
&rst
ixpk= 443, nxpk= 20, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 609, 610,
&end
#
# 39 ASP HN 38 PRO HD- 5.50 (# 444:20 Unique 2.51, 3.41 A)
&rst
ixpk= 444, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 609, 610,
&end
#
# 38 PRO HA 38 PRO HD- 4.50 (# 445:20 Unique 3.44, 3.79 A)
&rst
ixpk= 445, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 609, 610,
&end
#
# 38 PRO HB+ 38 PRO HD- 3.50 (# 446:20 Unique 2.83, 3.69 A)
&rst
ixpk= 446, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 615, 616,
igr2= 609, 610,
&end
#
# 36 ALA HA 38 PRO HD+ 5.50 (# 447:20 Unique 3.77, 4.84 A)
&rst
ixpk= 447, nxpk= 20, iat= 584, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 609, 610,
&end
#
# 55 GLY HN 55 GLY HA+ 2.80 (# 448:20 Unique 2.24, 2.56 A)
&rst
ixpk= 448, nxpk= 20, iat= 865, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 867, 868,
&end
#
# 58 LYS HN 55 GLY HA+ 5.50 (# 449:20 Unique 2.94, 3.71 A)
&rst
ixpk= 449, nxpk= 20, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 867, 868,
&end
#
# 58 LYS HB- 55 GLY HA+ 4.50 (# 450:20 Unique 2.17, 3.53 A)
&rst
ixpk= 450, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 903, 904,
igr2= 867, 868,
&end
#
# 55 GLY HN 55 GLY HA- 2.80 (# 451:20 Unique 2.24, 2.56 A)
&rst
ixpk= 451, nxpk= 20, iat= 865, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 867, 868,
&end
#
# 52 ARG HN 55 GLY HA+ 5.50 (# 453:20 Unique 5.74, 6.44 A)
&rst
ixpk= 453, nxpk= 20, iat= 813, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 867, 868,
&end
#
# 58 LYS HB+ 55 GLY HA+ 4.50 (# 455:20 Unique 2.17, 3.53 A)
&rst
ixpk= 455, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 903, 904,
igr2= 867, 868,
&end
#
# 71 ASN HB- 55 GLY HA+ 4.50 (# 456:20 Unique 2.29, 4.12 A)
&rst
ixpk= 456, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1111,1112,
igr2= 867, 868,
&end
#
# 71 ASN HB- 55 GLY HA- 4.50 (# 457:20 Unique 2.29, 4.12 A)
&rst
ixpk= 457, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1111,1112,
igr2= 867, 868,
&end
#
# 52 ARG HN 55 GLY HA- 5.50 (# 459:20 Unique 5.74, 6.44 A)
&rst
ixpk= 459, nxpk= 20, iat= 813, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 867, 868,
&end
#
# 58 LYS HB+ 55 GLY HA- 3.50 (# 460:20 Unique 2.17, 3.53 A)
&rst
ixpk= 460, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 903, 904,
igr2= 867, 868,
&end
#
# 58 LYS HB- 55 GLY HA- 4.50 (# 461:20 Unique 2.17, 3.53 A)
&rst
ixpk= 461, 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 (# 463:20 Unique 2.28, 2.59 A)
&rst
ixpk= 463, 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- 2.80 (# 464:20 Unique 2.28, 2.59 A)
&rst
ixpk= 464, nxpk= 20, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:466 0 AMB 20-1:466 3.50 (# 466:20 Double Ambig)
&rst
ixpk= 466, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1140,1141,1123,
igr2=1133,1134,1133,1134,
&end
#
# 74 GLY HN 73 GLY HA+ 2.80 (# 468:20 Unique 2.17, 2.82 A)
&rst
ixpk= 468, nxpk= 20, iat=1138, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1133,1134,
&end
#
# 74 GLY HN 73 GLY HA- 3.50 (# 469:20 Unique 2.17, 2.82 A)
&rst
ixpk= 469, nxpk= 20, iat=1138, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1133,1134,
&end
#
# 51 GLY HA+ 73 GLY HA- 4.50 (# 471:20 Unique 2.33, 4.36 A)
&rst
ixpk= 471, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 808, 809,
igr2=1133,1134,
&end
#
# 52 ARG HN 51 GLY HA+ 4.50 (# 474:20 Unique 2.64, 3.23 A)
&rst
ixpk= 474, nxpk= 20, iat= 813, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 808, 809,
&end
#
# 73 GLY HA- 51 GLY HA+ 4.50 (# 476:20 Unique 2.33, 4.36 A)
&rst
ixpk= 476, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1133,1134,
igr2= 808, 809,
&end
#
# 0 AMB 20-2:482 0 AMB 20-1:482 5.50 (# 482:20 Double Ambig)
&rst
ixpk= 482, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 313, 314, 313, 314,
igr2= 325, 326, 325, 326,
&end
#
# 20 GLY HN 20 GLY HA+ 3.50 (# 483:20 Unique 2.29, 2.68 A)
&rst
ixpk= 483, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 325, 326,
&end
#
# 20 GLY HN 20 GLY HA- 3.50 (# 484:20 Unique 2.29, 2.68 A)
&rst
ixpk= 484, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 325, 326,
&end
#
# 21 ALA HN 20 GLY HA- 4.50 (# 485:20 Unique 2.72, 3.32 A)
&rst
ixpk= 485, nxpk= 20, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 325, 326,
&end
#
# 19 GLN HG+ 20 GLY HA- 5.50 (# 486:20 Unique 3.72, 5.59 A)
&rst
ixpk= 486, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 313, 314,
igr2= 325, 326,
&end
#
# 66 TYR HN 65 GLY HA+ 4.50 (# 488:20 Unique 2.69, 3.32 A)
&rst
ixpk= 488, nxpk= 20, iat=1024, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1019,1020,
&end
#
# 65 GLY HN 65 GLY HA+ 2.80 (# 489:20 Unique 2.27, 2.63 A)
&rst
ixpk= 489, nxpk= 20, iat=1017, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1019,1020,
&end
#
# 0 AMB 20-2:490 0 AMB 20-1:490 5.50 (# 490:20 Double Ambig)
&rst
ixpk= 490, 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
#
# 0 AMB 20-2:491 0 AMB 20-1:491 3.50 (# 491:20 Double Ambig)
&rst
ixpk= 491, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 644, 645,1051,1052,1053,
igr2=1019,1020,1019,1020,
&end
#
# 66 TYR HN 65 GLY HA- 4.50 (# 492:20 Unique 2.69, 3.32 A)
&rst
ixpk= 492, nxpk= 20, iat=1024, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1019,1020,
&end
#
# 65 GLY HN 65 GLY HA- 2.80 (# 493:20 Unique 2.27, 2.63 A)
&rst
ixpk= 493, nxpk= 20, iat=1017, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1019,1020,
&end
#
# 0 AMB 20-2:494 65 GLY HA- 4.50 (# 494:20 Single Ambig)
&rst
ixpk= 494, 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
#
# 0 AMB 20-2:495 0 AMB 20-1:495 2.80 (# 495:20 Double Ambig)
&rst
ixpk= 495, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1138, 330,
igr2=1140,1141, 325, 326,
&end
#
# 0 AMB 20-2:496 0 AMB 20-1:496 4.50 (# 496:20 Double Ambig)
&rst
ixpk= 496, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 784, 332,
igr2=1140,1141, 325, 326,
&end
#
# 0 AMB 20-2:497 0 AMB 20-1:497 4.50 (# 497:20 Double Ambig)
&rst
ixpk= 497, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
igr1= 310, 311,1149,1150, 800, 801, 802,
igr2= 325, 326,1140,1141,1140,1141,
&end
#
# 75 LEU HN 74 GLY HA+ 2.80 (# 498:20 Unique 2.17, 2.63 A)
&rst
ixpk= 498, nxpk= 20, iat=1145, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1140,1141,
&end
#
# 74 GLY HN 74 GLY HA- 2.80 (# 500:20 Unique 2.24, 2.68 A)
&rst
ixpk= 500, nxpk= 20, iat=1138, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1140,1141,
&end
#
# 0 AMB 20-2:501 0 AMB 20-1:501 4.50 (# 501:20 Double Ambig)
&rst
ixpk= 501, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 800, 801, 802,1149,1150,
igr2= 127, 128, 127, 128,1140,1141,
&end
#
# 75 LEU HN 74 GLY HA- 3.50 (# 502:20 Unique 2.17, 2.63 A)
&rst
ixpk= 502, nxpk= 20, iat=1145, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1140,1141,
&end
#
# 9 VAL HN 8 ARG HD+ 4.50 (# 505:20 Unique 3.42, 4.31 A)
&rst
ixpk= 505, nxpk= 20, iat= 141, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 127, 128,
&end
#
# 12 GLN HN 8 ARG HD+ 5.50 (# 506:20 Unique 3.86, 5.32 A)
&rst
ixpk= 506, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 127, 128,
&end
#
# 0 AMB 20-2:507 0 AMB 20-1:507 3.50 (# 507:20 Double Ambig)
&rst
ixpk= 507, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 124, 125, 124, 125,
igr2= 127, 128, 127, 128,
&end
#
# 9 VAL HN 8 ARG HD- 4.50 (# 509:20 Unique 3.42, 4.31 A)
&rst
ixpk= 509, nxpk= 20, iat= 141, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 127, 128,
&end
#
# 53 GLN HB- 8 ARG HD- 4.50 (# 510:20 Unique 4.22, 5.93 A)
&rst
ixpk= 510, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 841, 842,
igr2= 127, 128,
&end
#
# 71 ASN HD2- 74 GLY HA- 5.50 (# 511:20 Unique 3.70, 6.59 A)
&rst
ixpk= 511, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1116,1117,
igr2=1140,1141,
&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= 121, 122, 190, 191, 190, 191,
igr2= 127, 128, 127, 128, 127, 128,
&end
#
# 8 ARG HB- 8 ARG HD+ 3.50 (# 513:20 Unique 2.30, 2.83 A)
&rst
ixpk= 513, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 121, 122,
igr2= 127, 128,
&end
#
# 12 GLN HN 8 ARG HD- 4.50 (# 514:20 Unique 3.86, 5.32 A)
&rst
ixpk= 514, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 127, 128,
&end
#
# 8 ARG HB+ 8 ARG HD- 3.50 (# 517:20 Unique 2.30, 2.83 A)
&rst
ixpk= 517, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 121, 122,
igr2= 127, 128,
&end
#
# 0 AMB 20-2:518 8 ARG HD- 3.50 (# 518:20 Single Ambig)
&rst
ixpk= 518, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 124, 125, 124, 125,
igr2= 127, 128,
&end
#
# 29 VAL HN 32 ARG HD+ 4.50 (# 519:20 Unique 4.63, 5.45 A)
&rst
ixpk= 519, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 525, 526,
&end
#
# 32 ARG HA 32 ARG HD+ 4.50 (# 521:20 Unique 4.41, 4.66 A)
&rst
ixpk= 521, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 525, 526,
&end
#
# 0 AMB 20-2:522 0 AMB 20-1:522 3.50 (# 522:20 Double Ambig)
&rst
ixpk= 522, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 451, 452, 454, 455,
igr2= 525, 526, 525, 526,
&end
#
# 0 AMB 20-2:523 0 AMB 20-1:523 2.80 (# 523:20 Double Ambig)
&rst
ixpk= 523, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 519, 520, 522, 523,
igr2= 525, 526, 525, 526,
&end
#
# 32 ARG HG- 32 ARG HD+ 2.80 (# 524:20 Unique 2.38, 2.69 A)
&rst
ixpk= 524, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 522, 523,
igr2= 525, 526,
&end
#
# 24 ILE QG2 32 ARG HD+ 3.50 (# 525:20 Unique 2.25, 3.79 A)
&rst
ixpk= 525, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 379, 380, 381,
igr2= 525, 526,
&end
#
# 32 ARG HA 32 ARG HD- 4.50 (# 526:20 Unique 4.41, 4.66 A)
&rst
ixpk= 526, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 525, 526,
&end
#
# 29 VAL HN 32 ARG HD- 4.50 (# 527:20 Unique 4.63, 5.45 A)
&rst
ixpk= 527, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 525, 526,
&end
#
# 0 AMB 20-2:529 32 ARG HD- 3.50 (# 529:20 Single Ambig)
&rst
ixpk= 529, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 451, 452, 454, 455,
igr2= 525, 526,
&end
#
# 0 AMB 20-2:530 32 ARG HD- 4.50 (# 530:20 Single Ambig)
&rst
ixpk= 530, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 454, 455, 504, 505, 504, 505,
igr2= 525, 526,
&end
#
# 0 AMB 20-2:531 32 ARG HD- 2.80 (# 531:20 Single Ambig)
&rst
ixpk= 531, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 519, 520, 522, 523,
igr2= 525, 526,
&end
#
# 32 ARG HG- 32 ARG HD- 2.80 (# 532:20 Unique 2.38, 2.69 A)
&rst
ixpk= 532, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 522, 523,
igr2= 525, 526,
&end
#
# 24 ILE QG2 32 ARG HD- 3.50 (# 533:20 Unique 2.25, 3.79 A)
&rst
ixpk= 533, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 379, 380, 381,
igr2= 525, 526,
&end
#
# 24 ILE HN 6 ASP HB+ 3.50 (# 534:20 Unique 3.55, 4.41 A)
&rst
ixpk= 534, nxpk= 20, iat= 373, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 93, 94,
&end
#
# 23 ASN HD2- 6 ASP HB+ 4.50 (# 536:20 Unique 2.73, 4.50 A)
&rst
ixpk= 536, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 368, 369,
igr2= 93, 94,
&end
#
# 6 ASP HA 6 ASP HB+ 4.50 (# 537:20 Unique 2.36, 2.73 A)
&rst
ixpk= 537, nxpk= 20, iat= 91, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 93, 94,
&end
#
# 21 ALA MB 6 ASP HB+ 4.50 (# 538:20 Unique 2.15, 3.62 A)
&rst
ixpk= 538, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 334, 335, 336,
igr2= 93, 94,
&end
#
# 24 ILE HN 6 ASP HB- 4.50 (# 539:20 Unique 3.55, 4.41 A)
&rst
ixpk= 539, nxpk= 20, iat= 373, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 93, 94,
&end
#
# 6 ASP HN 6 ASP HB+ 3.50 (# 540:20 Unique 2.18, 2.67 A)
&rst
ixpk= 540, nxpk= 20, iat= 89, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 93, 94,
&end
#
# 7 VAL HN 6 ASP HB+ 4.50 (# 541:20 Unique 4.03, 4.28 A)
&rst
ixpk= 541, nxpk= 20, iat= 101, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 93, 94,
&end
#
# 23 ASN HA 6 ASP HB+ 3.50 (# 542:20 Unique 2.10, 3.07 A)
&rst
ixpk= 542, nxpk= 20, iat= 361, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 93, 94,
&end
#
# 6 ASP HN 6 ASP HB- 3.50 (# 544:20 Unique 2.18, 2.67 A)
&rst
ixpk= 544, nxpk= 20, iat= 89, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 93, 94,
&end
#
# 7 VAL HN 6 ASP HB- 4.50 (# 545:20 Unique 4.03, 4.28 A)
&rst
ixpk= 545, nxpk= 20, iat= 101, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 93, 94,
&end
#
# 12 GLN HE2- 6 ASP HB- 4.50 (# 546:20 Unique 2.72, 4.02 A)
&rst
ixpk= 546, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 198, 199,
igr2= 93, 94,
&end
#
# 23 ASN HD2- 6 ASP HB- 5.50 (# 548:20 Unique 2.73, 4.50 A)
&rst
ixpk= 548, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 93, 94,
&end
#
# 6 ASP HA 6 ASP HB- 3.50 (# 550:20 Unique 2.36, 2.73 A)
&rst
ixpk= 550, nxpk= 20, iat= 91, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 93, 94,
&end
#
# 21 ALA MB 6 ASP HB- 3.50 (# 551:20 Unique 2.15, 3.62 A)
&rst
ixpk= 551, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 334, 335, 336,
igr2= 93, 94,
&end
#
# 0 AMB 20-2:552 0 AMB 20-1:552 3.50 (# 552:20 Double Ambig)
&rst
ixpk= 552, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 750,1138,
igr2= 754, 755, 754, 755,
&end
#
# 78 ILE HN 47 TYR HB+ 4.50 (# 554:20 Unique 4.73, 5.19 A)
&rst
ixpk= 554, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 754, 755,
&end
#
# 47 TYR HA 47 TYR HB+ 3.50 (# 556:20 Unique 2.22, 2.47 A)
&rst
ixpk= 556, nxpk= 20, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 754, 755,
&end
#
# 72 ALA MB 47 TYR HB+ 3.50 (# 557:20 Unique 2.19, 4.23 A)
&rst
ixpk= 557, 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 (# 558:20 Unique 2.15, 3.32 A)
&rst
ixpk= 558, 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
#
# 52 ARG HA 0 AMB 20-1:559 3.50 (# 559:20 Single Ambig)
&rst
ixpk= 559, nxpk= 20, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 823, 824, 823, 824,
&end
#
# 0 AMB 20-2:560 0 AMB 20-1:560 3.50 (# 560:20 Double Ambig)
&rst
ixpk= 560, 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 20-2:561 0 AMB 20-1:561 2.80 (# 561:20 Double Ambig)
&rst
ixpk= 561, 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
#
# 0 AMB 20-2:563 47 TYR HB- 3.50 (# 563:20 Single Ambig)
&rst
ixpk= 563, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 750,1138,
igr2= 754, 755,
&end
#
# 78 ILE HN 47 TYR HB- 4.50 (# 565:20 Unique 4.73, 5.19 A)
&rst
ixpk= 565, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 754, 755,
&end
#
# 47 TYR HA 47 TYR HB- 3.50 (# 566:20 Unique 2.22, 2.47 A)
&rst
ixpk= 566, nxpk= 20, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 754, 755,
&end
#
# 72 ALA MB 47 TYR HB- 3.50 (# 567:20 Unique 2.19, 4.23 A)
&rst
ixpk= 567, 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 (# 568:20 Unique 2.15, 3.32 A)
&rst
ixpk= 568, 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
#
# 27 LYS HN 26 LEU HB+ 3.50 (# 569:20 Unique 2.56, 3.36 A)
&rst
ixpk= 569, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 410, 411,
&end
#
# 26 LEU HN 26 LEU HB+ 3.50 (# 570:20 Unique 2.25, 2.43 A)
&rst
ixpk= 570, nxpk= 20, iat= 406, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 410, 411,
&end
#
# 26 LEU HA 26 LEU HB+ 3.50 (# 571:20 Unique 2.41, 2.75 A)
&rst
ixpk= 571, nxpk= 20, iat= 408, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 410, 411,
&end
#
# 7 VAL HB 26 LEU HB+ 4.50 (# 572:20 Unique 3.06, 4.06 A)
&rst
ixpk= 572, nxpk= 20, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 410, 411,
&end
#
# 26 LEU HG 26 LEU HB+ 2.80 (# 573:20 Unique 2.30, 2.76 A)
&rst
ixpk= 573, nxpk= 20, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 410, 411,
&end
#
# 26 LEU MDY 26 LEU HB+ 2.80 (# 574:20 Unique 2.42, 3.33 A)
&rst
ixpk= 574, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 410, 411,
&end
#
# 7 VAL MGX 26 LEU HB- 5.50 (# 575:20 Unique 3.10, 5.87 A)
&rst
ixpk= 575, 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
#
# 27 LYS HN 26 LEU HB- 4.50 (# 576:20 Unique 2.56, 3.36 A)
&rst
ixpk= 576, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 410, 411,
&end
#
# 26 LEU HN 26 LEU HB- 3.50 (# 577:20 Unique 2.25, 2.43 A)
&rst
ixpk= 577, nxpk= 20, iat= 406, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 410, 411,
&end
#
# 7 VAL HB 26 LEU HB- 4.50 (# 578:20 Unique 3.06, 4.06 A)
&rst
ixpk= 578, nxpk= 20, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 410, 411,
&end
#
# 26 LEU HG 26 LEU HB- 2.80 (# 579:20 Unique 2.30, 2.76 A)
&rst
ixpk= 579, nxpk= 20, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 410, 411,
&end
#
# 26 LEU MDY 26 LEU HB- 2.80 (# 580:20 Unique 2.42, 3.33 A)
&rst
ixpk= 580, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 410, 411,
&end
#
# 80 MET HN 82 LYS HE+ 4.50 (# 581:20 Unique 3.48, 4.79 A)
&rst
ixpk= 581, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1271,1272,
&end
#
# 0 AMB 20-2:582 0 AMB 20-1:582 3.50 (# 582:20 Double Ambig)
&rst
ixpk= 582, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1=1154,1155,1156,1158,1159,1160,1265,1266,
igr2=1271,1272,1271,1272,
&end
#
# 75 LEU MDY 82 LYS HE+ 4.50 (# 583:20 Unique 2.12, 4.82 A)
&rst
ixpk= 583, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1154,1155,1156,1158,1159,1160,
igr2=1271,1272,
&end
#
# 0 AMB 20-2:584 0 AMB 20-1:584 4.50 (# 584:20 Double Ambig)
&rst
ixpk= 584, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
igr2=1271,1272,1271,1272,
&end
#
# 0 AMB 20-2:586 82 LYS HE- 2.80 (# 586:20 Single Ambig)
&rst
ixpk= 586, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1268,1269,1202,
igr2=1271,1272,
&end
#
# 0 AMB 20-2:587 82 LYS HE- 3.50 (# 587:20 Single Ambig)
&rst
ixpk= 587, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1154,1155,1156,1158,1159,1160,1265,1266,
igr2=1271,1272,
&end
#
# 75 LEU MDY 82 LYS HE- 3.50 (# 588:20 Unique 2.12, 4.82 A)
&rst
ixpk= 588, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1154,1155,1156,1158,1159,1160,
igr2=1271,1272,
&end
#
# 18 VAL MGY 82 LYS HE- 4.50 (# 589:20 Unique 2.22, 5.05 A)
&rst
ixpk= 589, 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
#
# 0 AMB 20-2:590 0 AMB 20-1:590 2.80 (# 590:20 Double Ambig)
&rst
ixpk= 590, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.03, r4= 6.78,
igr1=1265,1266,1303,1304,1303,1304,1303,1304,1268,1269,
igr2=1271,1272,1309,1310,1309,1310,1309,1310,1271,1272,
&end
#
# 70 GLU HA 58 LYS HE+ 5.50 (# 592:20 Unique 2.80, 3.94 A)
&rst
ixpk= 592, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 912, 913,
&end
#
# 69 VAL HB 58 LYS HE+ 4.50 (# 593:20 Unique 1.93, 3.21 A)
&rst
ixpk= 593, nxpk= 20, iat=1080, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 912, 913,
&end
#
# 58 LYS HD- 58 LYS HE+ 3.50 (# 594:20 Unique 2.38, 2.76 A)
&rst
ixpk= 594, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 909, 910,
igr2= 912, 913,
&end
#
# 61 LEU HB- 58 LYS HE+ 4.50 (# 595:20 Unique 4.85, 6.22 A)
&rst
ixpk= 595, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 959, 960,
igr2= 912, 913,
&end
#
# 0 AMB 20-2:596 0 AMB 20-1:596 4.50 (# 596:20 Double Ambig)
&rst
ixpk= 596, 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= 912, 913, 912, 913,
&end
#
# 70 GLU HA 58 LYS HE- 4.50 (# 597:20 Unique 2.80, 3.94 A)
&rst
ixpk= 597, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 912, 913,
&end
#
# 84 LYS HA 0 AMB 20-1:598 4.50 (# 598:20 Single Ambig)
&rst
ixpk= 598, nxpk= 20, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1309,1310,1309,1310,
&end
#
# 0 AMB 20-2:602 0 AMB 20-1:602 2.80 (# 602:20 Double Ambig)
&rst
ixpk= 602, 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 20-1:603 3.50 (# 603:20 Single Ambig)
&rst
ixpk= 603, 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
#
# 0 AMB 20-2:605 0 AMB 20-1:605 5.50 (# 605:20 Double Ambig)
&rst
ixpk= 605, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 18, 19, 18, 19,
igr2= 725, 726, 725, 726,
&end
#
# 43 THR MG2 45 LYS HE+ 3.50 (# 606:20 Unique 2.39, 4.21 A)
&rst
ixpk= 606, 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
#
# 45 LYS HD+ 45 LYS HE+ 3.50 (# 607:20 Unique 2.31, 2.72 A)
&rst
ixpk= 607, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 722, 723,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:608 0 AMB 20-1:608 3.50 (# 608:20 Double Ambig)
&rst
ixpk= 608, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 722, 723, 719, 720,
igr2= 725, 726, 725, 726,
&end
#
# 45 LYS HG- 45 LYS HE+ 3.50 (# 609:20 Unique 2.38, 2.94 A)
&rst
ixpk= 609, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 719, 720,
igr2= 725, 726,
&end
#
# 43 THR MG2 45 LYS HE- 3.50 (# 610:20 Unique 2.39, 4.21 A)
&rst
ixpk= 610, 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
#
# 45 LYS HD+ 45 LYS HE- 3.50 (# 611:20 Unique 2.31, 2.72 A)
&rst
ixpk= 611, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 722, 723,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:612 45 LYS HE- 3.50 (# 612:20 Single Ambig)
&rst
ixpk= 612, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 722, 723, 719, 720,
igr2= 725, 726,
&end
#
# 45 LYS HG- 45 LYS HE- 3.50 (# 613:20 Unique 2.38, 2.94 A)
&rst
ixpk= 613, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 719, 720,
igr2= 725, 726,
&end
#
# 76 LYS HN 75 LEU HB+ 3.50 (# 614:20 Unique 2.44, 3.39 A)
&rst
ixpk= 614, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1149,1150,
&end
#
# 75 LEU HN 75 LEU HB+ 3.50 (# 615:20 Unique 2.26, 2.52 A)
&rst
ixpk= 615, 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 (# 616:20 Unique 2.37, 2.75 A)
&rst
ixpk= 616, nxpk= 20, iat=1147, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1149,1150,
&end
#
# 75 LEU MDX 75 LEU HB+ 3.50 (# 617:20 Unique 2.27, 3.39 A)
&rst
ixpk= 617, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1154,1155,1156,1158,1159,1160,
igr2=1149,1150,
&end
#
# 75 LEU MDY 75 LEU HB+ 4.50 (# 618:20 Unique 2.27, 3.39 A)
&rst
ixpk= 618, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1154,1155,1156,1158,1159,1160,
igr2=1149,1150,
&end
#
# 75 LEU HN 75 LEU HB- 3.50 (# 619:20 Unique 2.26, 2.52 A)
&rst
ixpk= 619, 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- 3.50 (# 620:20 Unique 2.37, 2.75 A)
&rst
ixpk= 620, nxpk= 20, iat=1147, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1149,1150,
&end
#
# 75 LEU MDX 75 LEU HB- 3.50 (# 621:20 Unique 2.27, 3.39 A)
&rst
ixpk= 621, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1154,1155,1156,1158,1159,1160,
igr2=1149,1150,
&end
#
# 75 LEU MDY 75 LEU HB- 3.50 (# 622:20 Unique 2.27, 3.39 A)
&rst
ixpk= 622, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1154,1155,1156,1158,1159,1160,
igr2=1149,1150,
&end
#
# 76 LYS HN 75 LEU HB- 4.50 (# 623:20 Unique 2.44, 3.39 A)
&rst
ixpk= 623, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1149,1150,
&end
#
# 66 TYR HA 0 AMB 20-1:624 5.50 (# 624:20 Single Ambig)
&rst
ixpk= 624, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 647, 648, 647, 648,
&end
#
# 0 AMB 20-2:625 0 AMB 20-1:625 4.50 (# 625:20 Double Ambig)
&rst
ixpk= 625, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1019,1020,1019,1020,
igr2= 647, 648, 647, 648,
&end
#
# 0 AMB 20-2:626 0 AMB 20-1:626 5.50 (# 626:20 Double Ambig)
&rst
ixpk= 626, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 638, 639, 638, 639,
igr2= 647, 648, 647, 648,
&end
#
# 74 GLY HN 77 ASP HB- 5.50 (# 627:20 Unique 2.53, 3.66 A)
&rst
ixpk= 627, nxpk= 20, iat=1138, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1190,1191,
&end
#
# 0 AMB 20-2:628 0 AMB 20-1:628 2.80 (# 628:20 Double Ambig)
&rst
ixpk= 628, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
igr1= 482, 483, 435, 436, 435, 436, 435, 436, 909, 910,
1174,1175,1174,1175,1174,1175, 488, 489, 488, 489,
488, 489,
igr2= 491, 492, 491, 492, 438, 439, 438, 439, 438, 439,
912, 913,1177,1178,1177,1178,1177,1178, 491, 492,
491, 492,
&end
#
# 0 AMB 20-2:629 0 AMB 20-1:629 2.80 (# 629:20 Double Ambig)
&rst
ixpk= 629, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
igr1= 485, 486, 432, 433, 432, 433, 432, 433,
igr2= 491, 492, 491, 492, 438, 439, 438, 439, 438, 439,
&end
#
# 0 AMB 20-2:630 0 AMB 20-1:630 3.50 (# 630:20 Double Ambig)
&rst
ixpk= 630, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.49, r4= 8.24,
igr1= 942, 943, 944, 949, 950, 951, 415, 416, 417, 419,
420, 421,
igr2= 491, 492, 491, 492, 491, 492, 438, 439,
&end
#
# 77 ASP HN 77 ASP HB+ 3.50 (# 631:20 Unique 2.45, 2.56 A)
&rst
ixpk= 631, nxpk= 20, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1190,1191,
&end
#
# 77 ASP HN 77 ASP HB- 2.80 (# 632:20 Unique 2.45, 2.56 A)
&rst
ixpk= 632, nxpk= 20, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1190,1191,
&end
#
# 78 ILE HN 77 ASP HB- 4.50 (# 633:20 Unique 2.75, 3.57 A)
&rst
ixpk= 633, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1190,1191,
&end
#
# 66 TYR HB- 61 LEU HB+ 4.50 (# 635:20 Unique 2.16, 3.66 A)
&rst
ixpk= 635, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1028,1029,
igr2= 959, 960,
&end
#
# 62 SER HN 61 LEU HB+ 4.50 (# 636:20 Unique 2.71, 3.35 A)
&rst
ixpk= 636, nxpk= 20, iat= 974, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 959, 960,
&end
#
# 61 LEU HN 61 LEU HB+ 3.50 (# 637:20 Unique 2.30, 3.02 A)
&rst
ixpk= 637, nxpk= 20, iat= 955, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 959, 960,
&end
#
# 61 LEU HA 61 LEU HB+ 3.50 (# 638:20 Unique 2.44, 2.77 A)
&rst
ixpk= 638, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 959, 960,
&end
#
# 66 TYR HB+ 61 LEU HB+ 5.50 (# 639:20 Unique 2.16, 3.66 A)
&rst
ixpk= 639, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1028,1029,
igr2= 959, 960,
&end
#
# 0 AMB 20-2:640 0 AMB 20-1:640 3.50 (# 640:20 Double Ambig)
&rst
ixpk= 640, 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
#
# 61 LEU MDY 61 LEU HB+ 2.80 (# 641:20 Unique 2.38, 3.36 A)
&rst
ixpk= 641, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 964, 965, 966, 968, 969, 970,
igr2= 959, 960,
&end
#
# 62 SER HN 61 LEU HB- 4.50 (# 642:20 Unique 2.71, 3.35 A)
&rst
ixpk= 642, nxpk= 20, iat= 974, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 959, 960,
&end
#
# 61 LEU HN 61 LEU HB- 4.50 (# 643:20 Unique 2.30, 3.02 A)
&rst
ixpk= 643, nxpk= 20, iat= 955, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 959, 960,
&end
#
# 61 LEU HA 61 LEU HB- 3.50 (# 645:20 Unique 2.44, 2.77 A)
&rst
ixpk= 645, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 959, 960,
&end
#
# 66 TYR HB+ 61 LEU HB- 4.50 (# 646:20 Unique 2.16, 3.66 A)
&rst
ixpk= 646, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1028,1029,
igr2= 959, 960,
&end
#
# 66 TYR HB- 61 LEU HB- 3.50 (# 647:20 Unique 2.16, 3.66 A)
&rst
ixpk= 647, 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 MDY 61 LEU HB- 2.80 (# 648:20 Unique 2.38, 3.36 A)
&rst
ixpk= 648, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 964, 965, 966, 968, 969, 970,
igr2= 959, 960,
&end
#
# 42 ASP HN 42 ASP HB- 3.50 (# 649:20 Unique 2.32, 2.54 A)
&rst
ixpk= 649, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 674, 675,
&end
#
# 42 ASP HA 42 ASP HB- 3.50 (# 651:20 Unique 2.43, 2.76 A)
&rst
ixpk= 651, nxpk= 20, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 674, 675,
&end
#
# 43 THR HN 42 ASP HB- 3.50 (# 652:20 Unique 3.71, 3.93 A)
&rst
ixpk= 652, nxpk= 20, iat= 682, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 674, 675,
&end
#
# 58 LYS HA 61 LEU HB+ 4.50 (# 653:20 Unique 2.34, 3.77 A)
&rst
ixpk= 653, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 959, 960,
&end
#
# 61 LEU HG 61 LEU HB+ 3.50 (# 654:20 Unique 2.32, 2.76 A)
&rst
ixpk= 654, nxpk= 20, iat= 962, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 959, 960,
&end
#
# 61 LEU HG 61 LEU HB- 3.50 (# 655:20 Unique 2.32, 2.76 A)
&rst
ixpk= 655, nxpk= 20, iat= 962, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 959, 960,
&end
#
# 0 AMB 20-2:656 61 LEU HB- 2.80 (# 656:20 Single Ambig)
&rst
ixpk= 656, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2= 959, 960,
&end
#
# 0 AMB 20-2:657 61 LEU HB- 5.50 (# 657:20 Single Ambig)
&rst
ixpk= 657, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 702, 703, 704, 706, 707, 708, 549, 550,
igr2= 959, 960,
&end
#
# 58 LYS HA 61 LEU HB- 5.50 (# 658:20 Unique 2.34, 3.77 A)
&rst
ixpk= 658, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 959, 960,
&end
#
# 37 VAL MGY 42 ASP HB+ 2.80 (# 661:20 Unique 2.34, 4.96 A)
&rst
ixpk= 661, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 674, 675,
&end
#
# 42 ASP HN 42 ASP HB+ 2.80 (# 662:20 Unique 2.32, 2.54 A)
&rst
ixpk= 662, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 674, 675,
&end
#
# 41 ASN HN 0 AMB 20-1:663 4.50 (# 663:20 Single Ambig)
&rst
ixpk= 663, nxpk= 20, iat= 656, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 626, 627, 674, 675,
&end
#
# 0 AMB 20-2:664 0 AMB 20-1:664 2.80 (# 664:20 Double Ambig)
&rst
ixpk= 664, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 624, 672,
igr2= 626, 627, 674, 675,
&end
#
# 37 VAL MGY 42 ASP HB- 3.50 (# 667:20 Unique 2.34, 4.96 A)
&rst
ixpk= 667, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 674, 675,
&end
#
# 44 VAL MGY 42 ASP HB- 4.50 (# 668:20 Unique 3.08, 7.07 A)
&rst
ixpk= 668, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 702, 703, 704, 706, 707, 708,
igr2= 674, 675,
&end
#
# 0 AMB 20-2:669 39 ASP HB- 4.50 (# 669:20 Single Ambig)
&rst
ixpk= 669, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 615, 616, 596,
igr2= 626, 627,
&end
#
# 39 ASP HN 39 ASP HB+ 2.80 (# 670:20 Unique 2.37, 2.75 A)
&rst
ixpk= 670, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 626, 627,
&end
#
# 39 ASP HN 39 ASP HB- 2.80 (# 671:20 Unique 2.37, 2.75 A)
&rst
ixpk= 671, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 626, 627,
&end
#
# 39 ASP HA 39 ASP HB- 2.80 (# 672:20 Unique 2.40, 2.74 A)
&rst
ixpk= 672, nxpk= 20, iat= 624, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 626, 627,
&end
#
# 22 ILE HA 22 ILE HB 3.50 (# 674:20 Unique 2.43, 2.63 A)
&rst
ixpk= 674, nxpk= 20, iat= 342, 344, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 ILE HG1- 22 ILE HB 2.80 (# 675:20 Unique 2.34, 2.75 A)
&rst
ixpk= 675, nxpk= 20, iat= -1, 344, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 350, 351,
&end
#
# 22 ILE HG1+ 22 ILE HB 3.50 (# 676:20 Unique 2.34, 2.75 A)
&rst
ixpk= 676, nxpk= 20, iat= -1, 344, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 350, 351,
&end
#
# 41 ASN HN 41 ASN HB+ 3.50 (# 679:20 Unique 2.25, 2.68 A)
&rst
ixpk= 679, nxpk= 20, iat= 656, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 660, 661,
&end
#
# 0 AMB 20-2:680 0 AMB 20-1:680 3.50 (# 680:20 Double Ambig)
&rst
ixpk= 680, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 791, 792, 665, 666,
igr2= 786, 787, 660, 661,
&end
#
# 42 ASP HN 41 ASN HB+ 5.50 (# 681:20 Unique 2.96, 3.86 A)
&rst
ixpk= 681, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 660, 661,
&end
#
# 41 ASN HD2- 41 ASN HB+ 4.50 (# 682:20 Unique 2.23, 3.39 A)
&rst
ixpk= 682, 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+ 2.80 (# 683:20 Unique 2.20, 2.72 A)
&rst
ixpk= 683, nxpk= 20, iat= 658, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 660, 661,
&end
#
# 41 ASN HN 41 ASN HB- 3.50 (# 684:20 Unique 2.25, 2.68 A)
&rst
ixpk= 684, 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 (# 685:20 Unique 2.23, 3.39 A)
&rst
ixpk= 685, 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 (# 686:20 Unique 2.20, 2.72 A)
&rst
ixpk= 686, nxpk= 20, iat= 658, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 660, 661,
&end
#
# 42 ASP HN 41 ASN HB- 4.50 (# 687:20 Unique 2.96, 3.86 A)
&rst
ixpk= 687, nxpk= 20, iat= 670, -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 (# 688:20 Unique 2.23, 3.39 A)
&rst
ixpk= 688, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 665, 666,
igr2= 660, 661,
&end
#
# 6 ASP HN 5 ILE HB 5.50 (# 689:20 Unique 3.91, 4.11 A)
&rst
ixpk= 689, nxpk= 20, iat= 89, 74, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 5 ILE HA 5 ILE HB 3.50 (# 690:20 Unique 3.00, 3.03 A)
&rst
ixpk= 690, nxpk= 20, iat= 72, 74, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:691 0 AMB 20-1:691 2.80 (# 691:20 Double Ambig)
&rst
ixpk= 691, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 80, 81, 80, 81, 946, 947,
igr2= 74, 940,
&end
#
# 5 ILE HN 5 ILE HB 3.50 (# 692:20 Unique 2.58, 2.73 A)
&rst
ixpk= 692, 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 (# 693:20 Unique 2.36, 2.89 A)
&rst
ixpk= 693, nxpk= 20, iat= 736, 74, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 5 ILE QG2 5 ILE HB 2.80 (# 694:20 Unique 2.42, 2.66 A)
&rst
ixpk= 694, nxpk= 20, iat= -1, 74, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 76, 77, 78,
&end
#
# 0 AMB 20-2:695 0 AMB 20-1:695 5.50 (# 695:20 Double Ambig)
&rst
ixpk= 695, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1=1149,1150, 800, 801, 802,
igr2= 786, 787, 786, 787,
&end
#
# 60 ILE HN 60 ILE HB 2.80 (# 697:20 Unique 2.36, 2.40 A)
&rst
ixpk= 697, nxpk= 20, iat= 936, 940, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:698 0 AMB 20-1:698 5.50 (# 698:20 Double Ambig)
&rst
ixpk= 698, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 921, 101,
igr2= 940, 74,
&end
#
# 0 AMB 20-2:699 60 ILE HB 4.50 (# 699:20 Single Ambig)
&rst
ixpk= 699, nxpk= 20, iat= -1, 940, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 957, 978, 979, 978, 979,
&end
#
# 60 ILE HA 60 ILE HB 3.50 (# 700:20 Unique 3.03, 3.03 A)
&rst
ixpk= 700, nxpk= 20, iat= 938, 940, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:701 0 AMB 20-1:701 2.80 (# 701:20 Double Ambig)
&rst
ixpk= 701, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 740, 741, 742, 744, 745, 746, 949, 950, 951, 942,
943, 944,
igr2= 74, 940,
&end
#
# 77 ASP HN 78 ILE HB 5.50 (# 702:20 Unique 4.16, 4.87 A)
&rst
ixpk= 702, nxpk= 20, iat=1186,1202, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 ILE HN 78 ILE HB 2.80 (# 703:20 Unique 2.17, 2.57 A)
&rst
ixpk= 703, nxpk= 20, iat=1198,1202, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 78 ILE HA 78 ILE HB 3.50 (# 704:20 Unique 2.99, 3.03 A)
&rst
ixpk= 704, nxpk= 20, iat=1200,1202, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 82 LYS HE- 78 ILE HB 4.50 (# 705:20 Unique 2.75, 3.94 A)
&rst
ixpk= 705, nxpk= 20, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1271,1272,
&end
#
# 18 VAL MGY 78 ILE HB 4.50 (# 706:20 Unique 2.25, 4.20 A)
&rst
ixpk= 706, nxpk= 20, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 296, 297, 298, 300, 301, 302,
&end
#
# 9 VAL HN 49 ASN HB+ 5.50 (# 708:20 Unique 5.68, 7.01 A)
&rst
ixpk= 708, nxpk= 20, iat= 141, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 786, 787,
&end
#
# 49 ASN HA 49 ASN HB+ 3.50 (# 709:20 Unique 2.25, 2.70 A)
&rst
ixpk= 709, nxpk= 20, iat= 784, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 786, 787,
&end
#
# 9 VAL HN 49 ASN HB- 5.50 (# 712:20 Unique 5.68, 7.01 A)
&rst
ixpk= 712, nxpk= 20, iat= 141, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 786, 787,
&end
#
# 49 ASN HA 49 ASN HB- 3.50 (# 713:20 Unique 2.25, 2.70 A)
&rst
ixpk= 713, nxpk= 20, iat= 784, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 786, 787,
&end
#
# 0 AMB 20-2:714 49 ASN HB- 4.50 (# 714:20 Single Ambig)
&rst
ixpk= 714, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1149,1150, 800, 801, 802,
igr2= 786, 787,
&end
#
# 0 AMB 20-2:715 78 ILE HB 2.80 (# 715:20 Single Ambig)
&rst
ixpk= 715, nxpk= 20, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1208,1209,1154,1155,1156,1158,1159,1160,
&end
#
# 82 LYS HE+ 78 ILE HB 4.50 (# 717:20 Unique 2.75, 3.94 A)
&rst
ixpk= 717, nxpk= 20, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1271,1272,
&end
#
# 23 ASN HN 23 ASN HB+ 2.80 (# 718:20 Unique 2.37, 2.61 A)
&rst
ixpk= 718, nxpk= 20, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 363, 364,
&end
#
# 23 ASN HD2- 23 ASN HB+ 4.50 (# 719:20 Unique 2.42, 3.50 A)
&rst
ixpk= 719, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 368, 369,
igr2= 363, 364,
&end
#
# 23 ASN HA 23 ASN HB+ 3.50 (# 720:20 Unique 2.39, 2.74 A)
&rst
ixpk= 720, nxpk= 20, iat= 361, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 363, 364,
&end
#
# 23 ASN HN 23 ASN HB- 3.50 (# 721:20 Unique 2.37, 2.61 A)
&rst
ixpk= 721, nxpk= 20, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 363, 364,
&end
#
# 0 AMB 20-2:722 23 ASN HB- 5.50 (# 722:20 Single Ambig)
&rst
ixpk= 722, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 373, 186,
igr2= 363, 364,
&end
#
# 23 ASN HD2- 23 ASN HB- 5.50 (# 723:20 Unique 2.42, 3.50 A)
&rst
ixpk= 723, 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 HA 23 ASN HB- 3.50 (# 724:20 Unique 2.39, 2.74 A)
&rst
ixpk= 724, nxpk= 20, iat= 361, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 363, 364,
&end
#
# 6 ASP HB+ 23 ASN HB- 5.50 (# 725:20 Unique 3.03, 4.84 A)
&rst
ixpk= 725, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 93, 94,
igr2= 363, 364,
&end
#
# 24 ILE HA 24 ILE HB 4.50 (# 726:20 Unique 3.03, 3.04 A)
&rst
ixpk= 726, nxpk= 20, iat= 375, 377, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:727 24 ILE HB 2.80 (# 727:20 Single Ambig)
&rst
ixpk= 727, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 4.35, r4= 5.10,
igr1= 383, 384, 468, 469, 470, 472, 473, 474, 107, 108,
109, 111, 112, 113,
&end
#
# 0 AMB 20-2:728 24 ILE HB 2.80 (# 728:20 Single Ambig)
&rst
ixpk= 728, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 379, 380, 381, 76, 77, 78, 386, 387, 388,
&end
#
# 29 VAL HA 24 ILE HB 5.50 (# 729:20 Unique 3.74, 4.09 A)
&rst
ixpk= 729, nxpk= 20, iat= 464, 377, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 ILE HG1- 24 ILE HB 2.80 (# 730:20 Unique 2.38, 2.73 A)
&rst
ixpk= 730, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 383, 384,
&end
#
# 33 ILE HA 33 ILE HB 2.80 (# 731:20 Unique 2.40, 2.45 A)
&rst
ixpk= 731, nxpk= 20, iat= 541, 543, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:732 33 ILE HB 2.80 (# 732:20 Single Ambig)
&rst
ixpk= 732, nxpk= 20, iat= -1, 543, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 552, 553, 554, 964, 965, 966, 968, 969, 970,
&end
#
# 34 ALA HN 33 ILE HB 4.50 (# 733:20 Unique 3.99, 4.12 A)
&rst
ixpk= 733, nxpk= 20, iat= 558, 543, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 ILE HN 33 ILE HB 2.80 (# 734:20 Unique 2.33, 2.42 A)
&rst
ixpk= 734, nxpk= 20, iat= 539, 543, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 29 VAL HA 33 ILE HB 4.50 (# 735:20 Unique 2.90, 3.37 A)
&rst
ixpk= 735, nxpk= 20, iat= 464, 543, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 ILE HG1- 33 ILE HB 3.50 (# 736:20 Unique 2.47, 2.78 A)
&rst
ixpk= 736, nxpk= 20, iat= -1, 543, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 549, 550,
&end
#
# 33 ILE QG2 33 ILE HB 2.80 (# 737:20 Unique 2.28, 2.65 A)
&rst
ixpk= 737, 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+ 3.50 (# 738:20 Unique 2.60, 3.44 A)
&rst
ixpk= 738, nxpk= 20, iat= 224, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 207, 208,
&end
#
# 13 TYR HN 13 TYR HB+ 2.80 (# 740:20 Unique 2.08, 2.47 A)
&rst
ixpk= 740, nxpk= 20, iat= 203, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 207, 208,
&end
#
# 12 GLN HE2- 13 TYR HB+ 4.50 (# 741:20 Unique 2.72, 5.50 A)
&rst
ixpk= 741, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 198, 199,
igr2= 207, 208,
&end
#
# 10 PRO HA 13 TYR HB+ 3.50 (# 743:20 Unique 2.21, 2.89 A)
&rst
ixpk= 743, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 207, 208,
&end
#
# 13 TYR HA 13 TYR HB+ 4.50 (# 744:20 Unique 2.39, 2.80 A)
&rst
ixpk= 744, nxpk= 20, iat= 205, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 207, 208,
&end
#
# 0 AMB 20-2:745 0 AMB 20-1:745 5.50 (# 745:20 Double Ambig)
&rst
ixpk= 745, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 228, 229, 161, 162,
igr2= 207, 208, 207, 208,
&end
#
# 14 GLN HN 13 TYR HB- 4.50 (# 746:20 Unique 2.60, 3.44 A)
&rst
ixpk= 746, nxpk= 20, iat= 224, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 207, 208,
&end
#
# 13 TYR HN 13 TYR HB- 2.80 (# 748:20 Unique 2.08, 2.47 A)
&rst
ixpk= 748, nxpk= 20, iat= 203, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 207, 208,
&end
#
# 12 GLN HE2- 13 TYR HB- 4.50 (# 749:20 Unique 2.72, 5.50 A)
&rst
ixpk= 749, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 198, 199,
igr2= 207, 208,
&end
#
# 10 PRO HA 13 TYR HB- 4.50 (# 751:20 Unique 2.21, 2.89 A)
&rst
ixpk= 751, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 207, 208,
&end
#
# 13 TYR HA 13 TYR HB- 3.50 (# 752:20 Unique 2.39, 2.80 A)
&rst
ixpk= 752, nxpk= 20, iat= 205, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 207, 208,
&end
#
# 0 AMB 20-2:753 0 AMB 20-1:753 4.50 (# 753:20 Double Ambig)
&rst
ixpk= 753, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 193, 194, 93, 94,
igr2= 207, 208, 207, 208,
&end
#
# 0 AMB 20-2:754 13 TYR HB- 3.50 (# 754:20 Single Ambig)
&rst
ixpk= 754, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 193, 194, 93, 94,
igr2= 207, 208,
&end
#
# 71 ASN HN 71 ASN HB+ 3.50 (# 756:20 Unique 2.36, 2.73 A)
&rst
ixpk= 756, 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+ 3.50 (# 758:20 Unique 2.38, 2.75 A)
&rst
ixpk= 758, nxpk= 20, iat=1109, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1111,1112,
&end
#
# 55 GLY HA- 71 ASN HB+ 5.50 (# 759:20 Unique 2.29, 4.12 A)
&rst
ixpk= 759, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 867, 868,
igr2=1111,1112,
&end
#
# 58 LYS HB- 71 ASN HB+ 4.50 (# 760:20 Unique 2.37, 3.80 A)
&rst
ixpk= 760, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 903, 904,
igr2=1111,1112,
&end
#
# 71 ASN HN 71 ASN HB- 3.50 (# 761:20 Unique 2.36, 2.73 A)
&rst
ixpk= 761, nxpk= 20, iat=1107, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1111,1112,
&end
#
# 46 VAL MGX 71 ASN HB- 4.50 (# 763:20 Unique 2.62, 6.05 A)
&rst
ixpk= 763, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 740, 741, 742, 744, 745, 746,
igr2=1111,1112,
&end
#
# 70 GLU HA 71 ASN HB+ 5.50 (# 764:20 Unique 4.40, 4.70 A)
&rst
ixpk= 764, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1111,1112,
&end
#
# 0 AMB 20-2:765 0 AMB 20-1:765 4.50 (# 765:20 Double Ambig)
&rst
ixpk= 765, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 909, 910,1096,1097,
igr2=1111,1112,1111,1112,
&end
#
# 71 ASN HA 71 ASN HB- 3.50 (# 766:20 Unique 2.38, 2.75 A)
&rst
ixpk= 766, nxpk= 20, iat=1109, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1111,1112,
&end
#
# 58 LYS HB- 71 ASN HB- 3.50 (# 767:20 Unique 2.37, 3.80 A)
&rst
ixpk= 767, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 903, 904,
igr2=1111,1112,
&end
#
# 55 GLY HA- 71 ASN HB- 4.50 (# 769:20 Unique 2.29, 4.12 A)
&rst
ixpk= 769, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 867, 868,
igr2=1111,1112,
&end
#
# 54 SER HB- 71 ASN HB- 4.50 (# 770:20 Unique 3.03, 4.82 A)
&rst
ixpk= 770, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 858, 859,
igr2=1111,1112,
&end
#
# 17 HIS HN 16 GLU HG+ 4.50 (# 771:20 Unique 2.92, 4.34 A)
&rst
ixpk= 771, nxpk= 20, iat= 273, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:772 0 AMB 20-1:772 2.80 (# 772:20 Double Ambig)
&rst
ixpk= 772, 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 20-2:773 0 AMB 20-1:773 2.80 (# 773:20 Double Ambig)
&rst
ixpk= 773, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1262,1263,1268,1269,
igr2= 265, 266, 265, 266,
&end
#
# 16 GLU HA 16 GLU HG+ 3.50 (# 774:20 Unique 2.47, 3.83 A)
&rst
ixpk= 774, nxpk= 20, iat= 260, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:775 0 AMB 20-1:775 3.50 (# 775:20 Double Ambig)
&rst
ixpk= 775, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1=1154,1155,1156,1158,1159,1160,1265,1266,
igr2= 265, 266, 265, 266,
&end
#
# 17 HIS HN 16 GLU HG- 4.50 (# 776:20 Unique 2.92, 4.34 A)
&rst
ixpk= 776, nxpk= 20, iat= 273, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 265, 266,
&end
#
# 16 GLU HA 16 GLU HG- 3.50 (# 777:20 Unique 2.47, 3.83 A)
&rst
ixpk= 777, nxpk= 20, iat= 260, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:778 16 GLU HG- 2.80 (# 778:20 Single Ambig)
&rst
ixpk= 778, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 262, 263, 245, 246, 245, 246,
igr2= 265, 266,
&end
#
# 82 LYS HD+ 16 GLU HG- 2.80 (# 779:20 Unique 2.33, 3.77 A)
&rst
ixpk= 779, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1268,1269,
igr2= 265, 266,
&end
#
# 75 LEU MDY 16 GLU HG- 5.50 (# 780:20 Unique 2.64, 6.11 A)
&rst
ixpk= 780, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1154,1155,1156,1158,1159,1160,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:781 16 GLU HG- 3.50 (# 781:20 Single Ambig)
&rst
ixpk= 781, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1154,1155,1156,1158,1159,1160,1265,1266,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:782 0 AMB 20-1:782 2.80 (# 782:20 Double Ambig)
&rst
ixpk= 782, 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
#
# 11 GLU HN 0 AMB 20-1:783 3.50 (# 783:20 Single Ambig)
&rst
ixpk= 783, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 178, 179, 178, 179,
&end
#
# 11 GLU HN 0 AMB 20-1:784 4.50 (# 784:20 Single Ambig)
&rst
ixpk= 784, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 178, 179, 178, 179,
&end
#
# 9 VAL MGX 0 AMB 20-1:785 4.50 (# 785:20 Single Ambig)
&rst
ixpk= 785, 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= 178, 179, 178, 179,
&end
#
# 0 AMB 20-2:786 0 AMB 20-1:786 2.80 (# 786:20 Double Ambig)
&rst
ixpk= 786, 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 HN 0 AMB 20-1:787 3.50 (# 787:20 Single Ambig)
&rst
ixpk= 787, nxpk= 20, iat= 500, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 507, 508, 507, 508,
&end
#
# 31 GLU HN 0 AMB 20-1:788 3.50 (# 788:20 Single Ambig)
&rst
ixpk= 788, nxpk= 20, iat= 500, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 507, 508, 507, 508,
&end
#
# 31 GLU HA 0 AMB 20-1:789 3.50 (# 789:20 Single Ambig)
&rst
ixpk= 789, nxpk= 20, iat= 502, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 507, 508, 507, 508,
&end
#
# 32 ARG HN 0 AMB 20-1:790 5.50 (# 790:20 Single Ambig)
&rst
ixpk= 790, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 507, 508, 507, 508,
&end
#
# 28 GLU HN 28 GLU HG+ 3.50 (# 791:20 Unique 2.59, 3.38 A)
&rst
ixpk= 791, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 454, 455,
&end
#
# 28 GLU HA 28 GLU HG+ 3.50 (# 792:20 Unique 2.48, 3.02 A)
&rst
ixpk= 792, nxpk= 20, iat= 449, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 454, 455,
&end
#
# 0 AMB 20-2:793 0 AMB 20-1:793 4.50 (# 793:20 Double Ambig)
&rst
ixpk= 793, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 525, 526, 525, 526,
igr2= 454, 455, 454, 455,
&end
#
# 0 AMB 20-2:794 0 AMB 20-1:794 2.80 (# 794:20 Double Ambig)
&rst
ixpk= 794, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 451, 452, 429, 430,
igr2= 454, 455, 454, 455,
&end
#
# 0 AMB 20-2:795 0 AMB 20-1:795 3.50 (# 795:20 Double Ambig)
&rst
ixpk= 795, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 432, 433, 432, 433,
igr2= 454, 455, 454, 455,
&end
#
# 0 AMB 20-2:796 0 AMB 20-1:796 4.50 (# 796:20 Double Ambig)
&rst
ixpk= 796, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 8, 9, 10, 432, 433,
igr2= 21, 22, 21, 22, 454, 455,
&end
#
# 24 ILE QG2 28 GLU HG+ 5.50 (# 797:20 Unique 5.51, 6.96 A)
&rst
ixpk= 797, 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
#
# 28 GLU HN 28 GLU HG- 3.50 (# 798:20 Unique 2.59, 3.38 A)
&rst
ixpk= 798, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 454, 455,
&end
#
# 28 GLU HA 28 GLU HG- 3.50 (# 799:20 Unique 2.48, 3.02 A)
&rst
ixpk= 799, nxpk= 20, iat= 449, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 454, 455,
&end
#
# 29 VAL HN 28 GLU HG- 5.50 (# 800:20 Unique 4.30, 4.89 A)
&rst
ixpk= 800, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 454, 455,
&end
#
# 32 ARG HD- 28 GLU HG- 4.50 (# 801:20 Unique 2.90, 4.95 A)
&rst
ixpk= 801, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 525, 526,
igr2= 454, 455,
&end
#
# 45 LYS HG- 0 AMB 20-1:802 4.50 (# 802:20 Single Ambig)
&rst
ixpk= 802, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 719, 720,
igr2= 21, 22, 21, 22,
&end
#
# 0 AMB 20-2:803 0 AMB 20-1:803 4.50 (# 803:20 Double Ambig)
&rst
ixpk= 803, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 29, 682,
igr2= 21, 22, 21, 22, 21, 22,
&end
#
# 43 THR HB 0 AMB 20-1:804 3.50 (# 804:20 Single Ambig)
&rst
ixpk= 804, nxpk= 20, iat= 686, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 21, 22, 21, 22,
&end
#
# 2 GLU HA 0 AMB 20-1:805 3.50 (# 805:20 Single Ambig)
&rst
ixpk= 805, nxpk= 20, iat= 16, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 21, 22, 21, 22,
&end
#
# 43 THR MG2 0 AMB 20-1:806 3.50 (# 806:20 Single Ambig)
&rst
ixpk= 806, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 688, 689, 690,
igr2= 21, 22, 21, 22,
&end
#
# 4 TRP HE1 0 AMB 20-1:807 5.50 (# 807:20 Single Ambig)
&rst
ixpk= 807, nxpk= 20, iat= 56, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 21, 22, 21, 22,
&end
#
# 0 AMB 20-2:808 0 AMB 20-1:808 4.50 (# 808:20 Double Ambig)
&rst
ixpk= 808, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 29, 682,
igr2= 21, 22, 21, 22, 21, 22,
&end
#
# 66 TYR HN 66 TYR HB+ 3.50 (# 809:20 Unique 2.25, 2.96 A)
&rst
ixpk= 809, nxpk= 20, iat=1024, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1028,1029,
&end
#
# 0 AMB 20-2:813 0 AMB 20-1:813 3.50 (# 813:20 Double Ambig)
&rst
ixpk= 813, 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
#
# 61 LEU HB+ 66 TYR HB+ 4.50 (# 814:20 Unique 2.16, 3.66 A)
&rst
ixpk= 814, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 959, 960,
igr2=1028,1029,
&end
#
# 61 LEU HB- 66 TYR HB+ 3.50 (# 815:20 Unique 2.16, 3.66 A)
&rst
ixpk= 815, 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 20-2:816 0 AMB 20-1:816 3.50 (# 816:20 Double Ambig)
&rst
ixpk= 816, 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, 702, 703, 704, 706, 707, 708,
igr2=1028,1029,1028,1029,1028,1029,
&end
#
# 61 LEU MDX 66 TYR HB+ 4.50 (# 817:20 Unique 3.54, 5.54 A)
&rst
ixpk= 817, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 964, 965, 966, 968, 969, 970,
igr2=1028,1029,
&end
#
# 61 LEU HB+ 66 TYR HB- 4.50 (# 818:20 Unique 2.16, 3.66 A)
&rst
ixpk= 818, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 959, 960,
igr2=1028,1029,
&end
#
# 61 LEU HB- 66 TYR HB- 3.50 (# 819:20 Unique 2.16, 3.66 A)
&rst
ixpk= 819, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 959, 960,
igr2=1028,1029,
&end
#
# 66 TYR HN 66 TYR HB- 3.50 (# 820:20 Unique 2.25, 2.96 A)
&rst
ixpk= 820, nxpk= 20, iat=1024, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1028,1029,
&end
#
# 0 AMB 20-2:823 66 TYR HB- 3.50 (# 823:20 Single Ambig)
&rst
ixpk= 823, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 976,1026,
igr2=1028,1029,
&end
#
# 0 AMB 20-2:824 66 TYR HB- 3.50 (# 824:20 Single Ambig)
&rst
ixpk= 824, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088, 702, 703, 704, 706, 707, 708,
igr2=1028,1029,
&end
#
# 61 LEU MDX 66 TYR HB- 4.50 (# 825:20 Unique 3.54, 5.54 A)
&rst
ixpk= 825, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 964, 965, 966, 968, 969, 970,
igr2=1028,1029,
&end
#
# 83 VAL HN 82 LYS HB+ 4.50 (# 826:20 Unique 2.55, 3.85 A)
&rst
ixpk= 826, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1262,1263,
&end
#
# 82 LYS HN 82 LYS HB+ 4.50 (# 827:20 Unique 2.50, 3.20 A)
&rst
ixpk= 827, nxpk= 20, iat=1258, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1262,1263,
&end
#
# 82 LYS HG- 82 LYS HB+ 3.50 (# 829:20 Unique 2.22, 2.74 A)
&rst
ixpk= 829, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1265,1266,
igr2=1262,1263,
&end
#
# 83 VAL HN 82 LYS HB- 4.50 (# 830:20 Unique 2.55, 3.85 A)
&rst
ixpk= 830, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1262,1263,
&end
#
# 82 LYS HN 82 LYS HB- 3.50 (# 831:20 Unique 2.50, 3.20 A)
&rst
ixpk= 831, nxpk= 20, iat=1258, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1262,1263,
&end
#
# 67 THR HN 66 TYR HB+ 5.50 (# 833:20 Unique 2.61, 3.70 A)
&rst
ixpk= 833, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1028,1029,
&end
#
# 65 GLY HN 66 TYR HB- 5.50 (# 835:20 Unique 3.94, 5.22 A)
&rst
ixpk= 835, nxpk= 20, iat=1017, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1028,1029,
&end
#
# 0 AMB 20-2:836 0 AMB 20-1:836 5.50 (# 836:20 Double Ambig)
&rst
ixpk= 836, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1000,1017,
igr2= 992, 993, 992, 993,
&end
#
# 0 AMB 20-2:837 0 AMB 20-1:837 2.80 (# 837:20 Double Ambig)
&rst
ixpk= 837, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 987, 923,
igr2= 992, 993, 928, 929,
&end
#
# 0 AMB 20-2:838 0 AMB 20-1:838 4.50 (# 838:20 Double Ambig)
&rst
ixpk= 838, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 938, 867, 868,
igr2= 928, 929, 992, 993, 928, 929,
&end
#
# 63 GLU HN 63 GLU HG- 4.50 (# 839:20 Unique 2.46, 4.05 A)
&rst
ixpk= 839, nxpk= 20, iat= 985, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 992, 993,
&end
#
# 0 AMB 20-2:840 63 GLU HG- 5.50 (# 840:20 Single Ambig)
&rst
ixpk= 840, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1000,1017,
igr2= 992, 993,
&end
#
# 0 AMB 20-2:841 0 AMB 20-1:841 2.80 (# 841:20 Double Ambig)
&rst
ixpk= 841, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 987, 923, 173,
igr2= 992, 993, 928, 929, 178, 179, 178, 179,
&end
#
# 82 LYS HG- 82 LYS HB- 3.50 (# 842:20 Unique 2.22, 2.74 A)
&rst
ixpk= 842, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1265,1266,
igr2=1262,1263,
&end
#
# 59 GLU HN 59 GLU HG+ 3.50 (# 843:20 Unique 2.15, 3.06 A)
&rst
ixpk= 843, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 928, 929,
&end
#
# 51 GLY HN 53 GLN HG+ 5.50 (# 845:20 Unique 4.45, 6.19 A)
&rst
ixpk= 845, nxpk= 20, iat= 806, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 844, 845,
&end
#
# 53 GLN HE2+ 53 GLN HG+ 4.50 (# 846:20 Unique 2.26, 3.37 A)
&rst
ixpk= 846, 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 HA 53 GLN HG+ 3.50 (# 848:20 Unique 2.30, 2.99 A)
&rst
ixpk= 848, nxpk= 20, iat= 839, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 844, 845,
&end
#
# 53 GLN HB- 53 GLN HG+ 3.50 (# 849:20 Unique 2.27, 2.73 A)
&rst
ixpk= 849, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 841, 842,
igr2= 844, 845,
&end
#
# 26 LEU MDX 53 GLN HG+ 4.50 (# 850:20 Unique 2.81, 6.25 A)
&rst
ixpk= 850, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 844, 845,
&end
#
# 59 GLU HN 59 GLU HG- 3.50 (# 858:20 Unique 2.15, 3.06 A)
&rst
ixpk= 858, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 928, 929,
&end
#
# 70 GLU HN 70 GLU HG+ 4.50 (# 859:20 Unique 3.09, 4.37 A)
&rst
ixpk= 859, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1099,1100,
&end
#
# 70 GLU HA 70 GLU HG+ 3.50 (# 860:20 Unique 2.46, 3.05 A)
&rst
ixpk= 860, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1099,1100,
&end
#
# 70 GLU HB+ 70 GLU HG+ 2.80 (# 861:20 Unique 2.27, 2.71 A)
&rst
ixpk= 861, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1096,1097,
igr2=1099,1100,
&end
#
# 70 GLU HA 70 GLU HG- 3.50 (# 862:20 Unique 2.46, 3.05 A)
&rst
ixpk= 862, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1099,1100,
&end
#
# 70 GLU HN 70 GLU HG- 4.50 (# 863:20 Unique 3.09, 4.37 A)
&rst
ixpk= 863, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1099,1100,
&end
#
# 80 MET HN 80 MET HB+ 4.50 (# 864:20 Unique 2.28, 3.25 A)
&rst
ixpk= 864, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1231,1232,
&end
#
# 80 MET HA 80 MET HB+ 3.50 (# 865:20 Unique 2.40, 2.77 A)
&rst
ixpk= 865, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1231,1232,
&end
#
# 81 PRO HD+ 80 MET HB+ 4.50 (# 866:20 Unique 2.07, 3.61 A)
&rst
ixpk= 866, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1245,1246,
igr2=1231,1232,
&end
#
# 81 PRO HD- 80 MET HB+ 3.50 (# 867:20 Unique 2.07, 3.61 A)
&rst
ixpk= 867, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1245,1246,
igr2=1231,1232,
&end
#
# 78 ILE QG2 80 MET HB+ 4.50 (# 868:20 Unique 2.25, 3.97 A)
&rst
ixpk= 868, 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
#
# 18 VAL MGX 80 MET HB+ 4.50 (# 869:20 Unique 2.32, 4.24 A)
&rst
ixpk= 869, 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=1231,1232,
&end
#
# 80 MET HN 80 MET HB- 3.50 (# 870:20 Unique 2.28, 3.25 A)
&rst
ixpk= 870, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1231,1232,
&end
#
# 80 MET HA 80 MET HB- 4.50 (# 871:20 Unique 2.40, 2.77 A)
&rst
ixpk= 871, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1231,1232,
&end
#
# 81 PRO HD+ 80 MET HB- 5.50 (# 872:20 Unique 2.07, 3.61 A)
&rst
ixpk= 872, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1245,1246,
igr2=1231,1232,
&end
#
# 81 PRO HD- 80 MET HB- 4.50 (# 873:20 Unique 2.07, 3.61 A)
&rst
ixpk= 873, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1245,1246,
igr2=1231,1232,
&end
#
# 80 MET HG+ 80 MET HB- 3.50 (# 874:20 Unique 2.33, 2.72 A)
&rst
ixpk= 874, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1234,1235,
igr2=1231,1232,
&end
#
# 78 ILE QG2 80 MET HB- 4.50 (# 875:20 Unique 2.25, 3.97 A)
&rst
ixpk= 875, 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
#
# 18 VAL MGX 80 MET HB- 3.50 (# 876:20 Unique 2.32, 4.24 A)
&rst
ixpk= 876, 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 20-2:877 0 AMB 20-1:877 3.50 (# 877:20 Double Ambig)
&rst
ixpk= 877, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1000,1017,
igr2=1004,1005,1004,1005,
&end
#
# 64 MET HA 64 MET HB+ 3.50 (# 878:20 Unique 2.40, 2.79 A)
&rst
ixpk= 878, nxpk= 20, iat=1002, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1004,1005,
&end
#
# 61 LEU HA 64 MET HB+ 4.50 (# 879:20 Unique 2.09, 3.00 A)
&rst
ixpk= 879, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1004,1005,
&end
#
# 64 MET HG+ 64 MET HB+ 3.50 (# 880:20 Unique 2.30, 2.67 A)
&rst
ixpk= 880, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1007,1008,
igr2=1004,1005,
&end
#
# 64 MET ME 64 MET HB+ 2.80 (# 882:20 Unique 2.27, 3.70 A)
&rst
ixpk= 882, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1011,1012,1013,
igr2=1004,1005,
&end
#
# 0 AMB 20-2:883 0 AMB 20-1:883 3.50 (# 883:20 Double Ambig)
&rst
ixpk= 883, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1007,1008, 207, 208,
igr2=1004,1005, 193, 194,
&end
#
# 61 LEU MDX 64 MET HB- 5.50 (# 884:20 Unique 3.11, 5.76 A)
&rst
ixpk= 884, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 964, 965, 966, 968, 969, 970,
igr2=1004,1005,
&end
#
# 0 AMB 20-2:885 0 AMB 20-1:885 2.80 (# 885:20 Double Ambig)
&rst
ixpk= 885, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 198, 199,1000,1017,
igr2= 193, 194,1004,1005,
&end
#
# 0 AMB 20-2:886 0 AMB 20-1:886 2.80 (# 886:20 Double Ambig)
&rst
ixpk= 886, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 186, 872,
igr2= 193, 194, 879, 880,
&end
#
# 0 AMB 20-2:887 12 GLN HG- 4.50 (# 887:20 Single Ambig)
&rst
ixpk= 887, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 368, 369, 258,
igr2= 193, 194,
&end
#
# 12 GLN HE2+ 12 GLN HG+ 3.50 (# 888:20 Unique 2.20, 3.28 A)
&rst
ixpk= 888, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 198, 199,
igr2= 193, 194,
&end
#
# 12 GLN HE2- 12 GLN HG+ 4.50 (# 889:20 Unique 2.20, 3.28 A)
&rst
ixpk= 889, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 198, 199,
igr2= 193, 194,
&end
#
# 0 AMB 20-2:890 0 AMB 20-1:890 3.50 (# 890:20 Double Ambig)
&rst
ixpk= 890, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1= 147, 148, 149, 151, 152, 153, 946, 947,
igr2= 193, 194, 879, 880,
&end
#
# 0 AMB 20-2:891 0 AMB 20-1:891 3.50 (# 891:20 Double Ambig)
&rst
ixpk= 891, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 186, 872,
igr2= 193, 194, 879, 880,
&end
#
# 12 GLN HA 12 GLN HG+ 3.50 (# 892:20 Unique 3.74, 3.91 A)
&rst
ixpk= 892, nxpk= 20, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 193, 194,
&end
#
# 58 LYS HN 56 GLN HG+ 5.50 (# 893:20 Unique 5.81, 6.27 A)
&rst
ixpk= 893, nxpk= 20, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 879, 880,
&end
#
# 26 LEU MDY 56 GLN HG+ 4.50 (# 894:20 Unique 2.77, 5.15 A)
&rst
ixpk= 894, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 879, 880,
&end
#
# 12 GLN HE2- 12 GLN HG- 4.50 (# 895:20 Unique 2.20, 3.28 A)
&rst
ixpk= 895, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 198, 199,
igr2= 193, 194,
&end
#
# 0 AMB 20-2:896 0 AMB 20-1:896 3.50 (# 896:20 Double Ambig)
&rst
ixpk= 896, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 188,1019,1020,
igr2= 193, 194,1004,1005,
&end
#
# 0 AMB 20-2:897 0 AMB 20-1:897 3.50 (# 897:20 Double Ambig)
&rst
ixpk= 897, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1= 147, 148, 149, 151, 152, 153, 946, 947,
igr2= 193, 194, 879, 880,
&end
#
# 56 GLN HE2- 56 GLN HG- 5.50 (# 898:20 Unique 2.17, 3.39 A)
&rst
ixpk= 898, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 884, 885,
igr2= 879, 880,
&end
#
# 0 AMB 20-2:899 12 GLN HG- 2.80 (# 899:20 Single Ambig)
&rst
ixpk= 899, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 190, 191, 190, 191,
igr2= 193, 194,
&end
#
# 84 LYS HN 84 LYS HB+ 3.50 (# 900:20 Unique 2.33, 3.07 A)
&rst
ixpk= 900, nxpk= 20, iat=1296, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1300,1301,
&end
#
# 85 GLY HN 84 LYS HB+ 3.50 (# 901:20 Unique 2.28, 3.29 A)
&rst
ixpk= 901, nxpk= 20, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1300,1301,
&end
#
# 84 LYS HA 84 LYS HB+ 2.80 (# 902:20 Unique 2.29, 2.64 A)
&rst
ixpk= 902, nxpk= 20, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1300,1301,
&end
#
# 0 AMB 20-2:903 0 AMB 20-1:903 5.50 (# 903:20 Double Ambig)
&rst
ixpk= 903, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1309,1310,1309,1310,
igr2=1300,1301,1300,1301,
&end
#
# 0 AMB 20-2:904 0 AMB 20-1:904 2.80 (# 904:20 Double Ambig)
&rst
ixpk= 904, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1303,1304,1303,1304,
igr2=1300,1301,1300,1301,
&end
#
# 84 LYS HN 84 LYS HB- 3.50 (# 906:20 Unique 2.33, 3.07 A)
&rst
ixpk= 906, nxpk= 20, iat=1296, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1300,1301,
&end
#
# 85 GLY HN 84 LYS HB- 4.50 (# 907:20 Unique 2.28, 3.29 A)
&rst
ixpk= 907, nxpk= 20, iat=1318, -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 (# 908:20 Unique 2.29, 2.64 A)
&rst
ixpk= 908, nxpk= 20, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1300,1301,
&end
#
# 0 AMB 20-2:909 84 LYS HB- 2.80 (# 909:20 Single Ambig)
&rst
ixpk= 909, 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
#
# 58 LYS HN 56 GLN HG- 5.50 (# 910:20 Unique 5.81, 6.27 A)
&rst
ixpk= 910, nxpk= 20, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 879, 880,
&end
#
# 56 GLN HA 56 GLN HG- 2.80 (# 911:20 Unique 2.38, 3.00 A)
&rst
ixpk= 911, nxpk= 20, iat= 874, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 879, 880,
&end
#
# 26 LEU MDY 56 GLN HG- 3.50 (# 912:20 Unique 2.77, 5.15 A)
&rst
ixpk= 912, 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= 879, 880,
&end
#
# 44 VAL HN 44 VAL HB 2.80 (# 913:20 Unique 2.20, 2.51 A)
&rst
ixpk= 913, nxpk= 20, iat= 696, 700, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 69 VAL HA 44 VAL HB 3.50 (# 914:20 Unique 2.25, 2.57 A)
&rst
ixpk= 914, nxpk= 20, iat=1078, 700, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:915 44 VAL HB 2.80 (# 915:20 Single Ambig)
&rst
ixpk= 915, 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
#
# 70 GLU HN 44 VAL HB 5.50 (# 916:20 Unique 3.69, 4.07 A)
&rst
ixpk= 916, nxpk= 20, iat=1092, 700, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 44 VAL MGX 44 VAL HB 2.80 (# 917:20 Unique 2.36, 2.66 A)
&rst
ixpk= 917, 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 20-2:918 44 VAL HB 3.50 (# 918:20 Single Ambig)
&rst
ixpk= 918, nxpk= 20, iat= -1, 700, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
&end
#
# 0 AMB 20-2:919 84 LYS HB- 4.50 (# 919:20 Single Ambig)
&rst
ixpk= 919, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1309,1310,1309,1310,
igr2=1300,1301,
&end
#
# 83 VAL HN 83 VAL HB 3.50 (# 921:20 Unique 2.51, 3.43 A)
&rst
ixpk= 921, nxpk= 20, iat=1280,1284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 LYS HN 83 VAL HB 4.50 (# 922:20 Unique 2.58, 3.24 A)
&rst
ixpk= 922, nxpk= 20, iat=1296,1284, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 83 VAL HA 83 VAL HB 3.50 (# 923:20 Unique 2.38, 2.53 A)
&rst
ixpk= 923, nxpk= 20, iat=1282,1284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 19 GLN HG+ 83 VAL HB 5.50 (# 924:20 Unique 2.84, 5.23 A)
&rst
ixpk= 924, nxpk= 20, iat= -1,1284, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 313, 314,
&end
#
# 83 VAL MGY 83 VAL HB 2.80 (# 925:20 Unique 2.37, 2.65 A)
&rst
ixpk= 925, nxpk= 20, iat= -1,1284, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 46 VAL MGX 46 VAL HB 2.80 (# 926:20 Unique 2.39, 2.65 A)
&rst
ixpk= 926, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 740, 741, 742, 744, 745, 746,
&end
#
# 46 VAL HA 46 VAL HB 2.80 (# 927:20 Unique 2.42, 2.51 A)
&rst
ixpk= 927, nxpk= 20, iat= 736, 738, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:928 46 VAL HB 4.50 (# 928:20 Single Ambig)
&rst
ixpk= 928, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1109, 714,
&end
#
# 54 SER HB- 46 VAL HB 4.50 (# 929:20 Unique 2.33, 3.68 A)
&rst
ixpk= 929, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 858, 859,
&end
#
# 57 ALA MB 46 VAL HB 5.50 (# 930:20 Unique 2.67, 3.86 A)
&rst
ixpk= 930, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 893, 894, 895,
&end
#
# 0 AMB 20-2:931 46 VAL HB 2.80 (# 931:20 Single Ambig)
&rst
ixpk= 931, nxpk= 20, iat= -1, 738, 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
#
# 15 GLN HA 15 GLN HG- 3.50 (# 932:20 Unique 2.58, 3.75 A)
&rst
ixpk= 932, nxpk= 20, iat= 243, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 248, 249,
&end
#
# 0 AMB 20-2:933 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= 4.76, r4= 5.51,
igr1= 121, 122, 245, 246, 245, 246,
igr2= 193, 194, 248, 249,
&end
#
# 0 AMB 20-2:934 46 VAL HB 3.50 (# 934:20 Single Ambig)
&rst
ixpk= 934, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 750, 734,
&end
#
# 0 AMB 20-2:935 46 VAL HB 3.50 (# 935:20 Single Ambig)
&rst
ixpk= 935, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 858, 859, 856,
&end
#
# 15 GLN HE2- 15 GLN HG+ 5.50 (# 936:20 Unique 2.13, 3.32 A)
&rst
ixpk= 936, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 253, 254,
igr2= 248, 249,
&end
#
# 15 GLN HE2+ 15 GLN HG+ 4.50 (# 937:20 Unique 2.13, 3.32 A)
&rst
ixpk= 937, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 253, 254,
igr2= 248, 249,
&end
#
# 16 GLU HN 15 GLN HG+ 5.50 (# 938:20 Unique 2.00, 2.90 A)
&rst
ixpk= 938, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 248, 249,
&end
#
# 15 GLN HN 15 GLN HG+ 3.50 (# 939:20 Unique 1.88, 2.75 A)
&rst
ixpk= 939, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 248, 249,
&end
#
# 12 GLN HA 15 GLN HG+ 4.50 (# 940:20 Unique 2.16, 2.99 A)
&rst
ixpk= 940, nxpk= 20, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 248, 249,
&end
#
# 15 GLN HA 15 GLN HG+ 3.50 (# 941:20 Unique 2.58, 3.75 A)
&rst
ixpk= 941, nxpk= 20, iat= 243, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 248, 249,
&end
#
# 0 AMB 20-2:942 0 AMB 20-1:942 2.80 (# 942:20 Double Ambig)
&rst
ixpk= 942, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 245, 246, 245, 246,
igr2= 248, 249, 248, 249,
&end
#
# 15 GLN HN 15 GLN HG- 4.50 (# 943:20 Unique 1.88, 2.75 A)
&rst
ixpk= 943, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 248, 249,
&end
#
# 14 GLN HN 0 AMB 20-1:944 3.50 (# 944:20 Single Ambig)
&rst
ixpk= 944, nxpk= 20, iat= 224, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 231, 232, 231, 232,
&end
#
# 15 GLN HN 0 AMB 20-1:945 5.50 (# 945:20 Single Ambig)
&rst
ixpk= 945, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 231, 232, 231, 232,
&end
#
# 14 GLN HE2- 0 AMB 20-1:946 4.50 (# 946:20 Single Ambig)
&rst
ixpk= 946, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 236, 237,
igr2= 231, 232, 231, 232,
&end
#
# 11 GLU HA 0 AMB 20-1:947 3.50 (# 947:20 Single Ambig)
&rst
ixpk= 947, nxpk= 20, iat= 173, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 231, 232, 231, 232,
&end
#
# 14 GLN HA 0 AMB 20-1:948 3.50 (# 948:20 Single Ambig)
&rst
ixpk= 948, nxpk= 20, iat= 226, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 231, 232, 231, 232,
&end
#
# 14 GLN HB- 0 AMB 20-1:949 2.80 (# 949:20 Single Ambig)
&rst
ixpk= 949, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 228, 229,
igr2= 231, 232, 231, 232,
&end
#
# 19 GLN HE2+ 19 GLN HG+ 4.50 (# 950:20 Unique 2.24, 3.42 A)
&rst
ixpk= 950, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 318, 319,
igr2= 313, 314,
&end
#
# 20 GLY HN 19 GLN HG+ 4.50 (# 951:20 Unique 2.79, 4.37 A)
&rst
ixpk= 951, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 313, 314,
&end
#
# 19 GLN HN 19 GLN HG+ 5.50 (# 952:20 Unique 1.81, 4.28 A)
&rst
ixpk= 952, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 313, 314,
&end
#
# 19 GLN HA 19 GLN HG+ 3.50 (# 953:20 Unique 2.43, 3.16 A)
&rst
ixpk= 953, nxpk= 20, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 313, 314,
&end
#
# 19 GLN HB+ 19 GLN HG+ 2.80 (# 954:20 Unique 2.18, 2.63 A)
&rst
ixpk= 954, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 310, 311,
igr2= 313, 314,
&end
#
# 83 VAL MGX 19 GLN HG+ 4.50 (# 955:20 Unique 2.47, 4.49 A)
&rst
ixpk= 955, 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
#
# 20 GLY HN 19 GLN HG- 4.50 (# 956:20 Unique 2.79, 4.37 A)
&rst
ixpk= 956, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 313, 314,
&end
#
# 19 GLN HA 19 GLN HG- 3.50 (# 957:20 Unique 2.43, 3.16 A)
&rst
ixpk= 957, nxpk= 20, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 313, 314,
&end
#
# 19 GLN HN 19 GLN HG- 4.50 (# 958:20 Unique 1.81, 4.28 A)
&rst
ixpk= 958, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 313, 314,
&end
#
# 19 GLN HE2+ 19 GLN HG- 4.50 (# 959:20 Unique 2.24, 3.42 A)
&rst
ixpk= 959, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 318, 319,
igr2= 313, 314,
&end
#
# 69 VAL HN 69 VAL HB 3.50 (# 960:20 Unique 2.58, 2.88 A)
&rst
ixpk= 960, nxpk= 20, iat=1076,1080, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 69 VAL HA 69 VAL HB 3.50 (# 961:20 Unique 2.46, 2.96 A)
&rst
ixpk= 961, nxpk= 20, iat=1078,1080, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 58 LYS HG- 69 VAL HB 3.50 (# 962:20 Unique 2.24, 3.49 A)
&rst
ixpk= 962, nxpk= 20, iat= -1,1080, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 906, 907,
&end
#
# 0 AMB 20-2:963 69 VAL HB 2.80 (# 963:20 Single Ambig)
&rst
ixpk= 963, nxpk= 20, iat= -1,1080, 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
#
# 70 GLU HN 0 AMB 20-1:964 3.50 (# 964:20 Single Ambig)
&rst
ixpk= 964, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1096,1097,1080,
&end
#
# 45 LYS HA 70 GLU HB+ 4.50 (# 965:20 Unique 2.60, 3.85 A)
&rst
ixpk= 965, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1096,1097,
&end
#
# 71 ASN HN 70 GLU HB+ 4.50 (# 966:20 Unique 2.53, 3.91 A)
&rst
ixpk= 966, nxpk= 20, iat=1107, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1096,1097,
&end
#
# 0 AMB 20-2:967 0 AMB 20-1:967 2.80 (# 967:20 Double Ambig)
&rst
ixpk= 967, 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
#
# 70 GLU HN 70 GLU HB- 3.50 (# 968:20 Unique 2.62, 3.07 A)
&rst
ixpk= 968, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1096,1097,
&end
#
# 71 ASN HN 70 GLU HB- 5.50 (# 969:20 Unique 2.53, 3.91 A)
&rst
ixpk= 969, nxpk= 20, iat=1107, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1096,1097,
&end
#
# 45 LYS HA 70 GLU HB- 4.50 (# 970:20 Unique 2.60, 3.85 A)
&rst
ixpk= 970, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1096,1097,
&end
#
# 0 AMB 20-2:971 70 GLU HB- 4.50 (# 971:20 Single Ambig)
&rst
ixpk= 971, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 722, 723,1082,1083,1084,1086,1087,1088,1082,1083,
1084,1086,1087,1088, 740, 741, 742, 744, 745, 746,
igr2=1096,1097,
&end
#
# 70 GLU HA 70 GLU HB- 3.50 (# 972:20 Unique 2.46, 2.77 A)
&rst
ixpk= 972, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1096,1097,
&end
#
# 0 AMB 20-2:973 70 GLU HB- 2.80 (# 973:20 Single Ambig)
&rst
ixpk= 973, 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
#
# 45 LYS HG+ 70 GLU HB- 3.50 (# 974:20 Unique 2.27, 3.98 A)
&rst
ixpk= 974, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 719, 720,
igr2=1096,1097,
&end
#
# 12 GLN HE2- 18 VAL HB 5.50 (# 975:20 Unique 4.74, 5.35 A)
&rst
ixpk= 975, nxpk= 20, iat= -1, 294, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 198, 199,
&end
#
# 78 ILE QG2 80 MET HG+ 3.50 (# 977:20 Unique 2.10, 3.77 A)
&rst
ixpk= 977, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1204,1205,1206,
igr2=1234,1235,
&end
#
# 0 AMB 20-2:978 0 AMB 20-1:978 2.80 (# 978:20 Double Ambig)
&rst
ixpk= 978, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 290, 515,
igr2= 294, 519, 520,
&end
#
# 0 AMB 20-2:979 0 AMB 20-1:979 4.50 (# 979:20 Double Ambig)
&rst
ixpk= 979, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 425,1217, 306,
igr2= 399, 400,1234,1235,
&end
#
# 0 AMB 20-2:980 0 AMB 20-1:980 3.50 (# 980:20 Double Ambig)
&rst
ixpk= 980, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 292,1245,1246,
igr2= 294,1234,1235,
&end
#
# 0 AMB 20-2:981 0 AMB 20-1:981 3.50 (# 981:20 Double Ambig)
&rst
ixpk= 981, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 393, 394, 50, 51, 277, 278,
igr2= 399, 400, 294, 519, 520,
&end
#
# 0 AMB 20-2:982 0 AMB 20-1:982 2.80 (# 982:20 Double Ambig)
&rst
ixpk= 982, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
igr2=1234,1235, 294,
&end
#
# 80 MET HA 80 MET HG- 4.50 (# 983:20 Unique 2.29, 3.02 A)
&rst
ixpk= 983, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1234,1235,
&end
#
# 28 GLU HN 25 PRO HB+ 5.50 (# 984:20 Unique 3.00, 4.05 A)
&rst
ixpk= 984, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 399, 400,
&end
#
# 26 LEU HN 25 PRO HB+ 4.50 (# 985:20 Unique 2.94, 3.44 A)
&rst
ixpk= 985, nxpk= 20, iat= 406, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 399, 400,
&end
#
# 9 VAL HA 25 PRO HB+ 4.50 (# 986:20 Unique 2.25, 3.75 A)
&rst
ixpk= 986, nxpk= 20, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 399, 400,
&end
#
# 25 PRO HA 25 PRO HB+ 2.80 (# 987:20 Unique 2.35, 2.69 A)
&rst
ixpk= 987, nxpk= 20, iat= 402, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 399, 400,
&end
#
# 25 PRO HD+ 25 PRO HB+ 4.50 (# 988:20 Unique 2.73, 3.66 A)
&rst
ixpk= 988, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 393, 394,
igr2= 399, 400,
&end
#
# 25 PRO HD- 25 PRO HB+ 4.50 (# 989:20 Unique 2.73, 3.66 A)
&rst
ixpk= 989, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 393, 394,
igr2= 399, 400,
&end
#
# 9 VAL MGY 25 PRO HB+ 4.50 (# 990:20 Unique 3.11, 6.21 A)
&rst
ixpk= 990, 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= 399, 400,
&end
#
# 80 MET HA 80 MET HG+ 3.50 (# 991:20 Unique 2.29, 3.02 A)
&rst
ixpk= 991, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1234,1235,
&end
#
# 80 MET HB- 80 MET HG+ 2.80 (# 992:20 Unique 2.33, 2.72 A)
&rst
ixpk= 992, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1231,1232,
igr2=1234,1235,
&end
#
# 18 VAL MGX 80 MET HG+ 4.50 (# 993:20 Unique 2.17, 5.53 A)
&rst
ixpk= 993, 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=1234,1235,
&end
#
# 80 MET HN 80 MET HG+ 4.50 (# 994:20 Unique 2.56, 3.61 A)
&rst
ixpk= 994, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1234,1235,
&end
#
# 32 ARG HN 32 ARG HB+ 3.50 (# 995:20 Unique 2.16, 2.96 A)
&rst
ixpk= 995, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 519, 520,
&end
#
# 0 AMB 20-2:996 0 AMB 20-1:996 5.50 (# 996:20 Double Ambig)
&rst
ixpk= 996, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 462, 186,
igr2= 519, 520, 429, 430, 164, 165,
&end
#
# 0 AMB 20-2:997 0 AMB 20-1:997 3.50 (# 997:20 Double Ambig)
&rst
ixpk= 997, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 525, 526, 525, 526,
igr2= 519, 520, 519, 520,
&end
#
# 0 AMB 20-2:998 0 AMB 20-1:998 3.50 (# 998:20 Double Ambig)
&rst
ixpk= 998, 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
#
# 0 AMB 20-2:999 32 ARG HB- 3.50 (# 999:20 Single Ambig)
&rst
ixpk= 999, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 525, 526, 525, 526,
igr2= 519, 520,
&end
#
# 0 AMB 20-2:1000 32 ARG HB- 2.80 (# 1000:20 Single Ambig)
&rst
ixpk= 1000, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 379, 380, 381, 386, 387, 388,
igr2= 519, 520,
&end
#
# 28 GLU HN 0 AMB 20-1:1001 4.50 (# 1001:20 Single Ambig)
&rst
ixpk= 1001, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 399, 400, 519, 520,
&end
#
# 9 VAL HA 25 PRO HB- 5.50 (# 1002:20 Unique 2.25, 3.75 A)
&rst
ixpk= 1002, nxpk= 20, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 399, 400,
&end
#
# 0 AMB 20-2:1003 0 AMB 20-1:1003 3.50 (# 1003:20 Double Ambig)
&rst
ixpk= 1003, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 402,1245,1246,
igr2= 399, 400,1234,1235,
&end
#
# 25 PRO HD+ 25 PRO HB- 3.50 (# 1004:20 Unique 2.73, 3.66 A)
&rst
ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 393, 394,
igr2= 399, 400,
&end
#
# 29 VAL HN 25 PRO HB- 5.50 (# 1005:20 Unique 4.49, 5.43 A)
&rst
ixpk= 1005, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 399, 400,
&end
#
# 80 MET HN 80 MET HG- 5.50 (# 1006:20 Unique 2.56, 3.61 A)
&rst
ixpk= 1006, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1234,1235,
&end
#
# 80 MET HB- 80 MET HG- 2.80 (# 1007:20 Unique 2.33, 2.72 A)
&rst
ixpk= 1007, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1231,1232,
igr2=1234,1235,
&end
#
# 78 ILE QG2 80 MET HG- 2.80 (# 1008:20 Unique 2.10, 3.77 A)
&rst
ixpk= 1008, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1204,1205,1206,
igr2=1234,1235,
&end
#
# 28 GLU HG- 25 PRO HB+ 3.50 (# 1009:20 Unique 2.47, 4.83 A)
&rst
ixpk= 1009, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 454, 455,
igr2= 399, 400,
&end
#
# 32 ARG HA 32 ARG HB- 3.50 (# 1010:20 Unique 2.50, 2.79 A)
&rst
ixpk= 1010, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 519, 520,
&end
#
# 0 AMB 20-2:1011 0 AMB 20-1:1011 4.50 (# 1011:20 Double Ambig)
&rst
ixpk= 1011, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
igr1=1011,1012,1013, 989, 990, 989, 990,
igr2=1007,1008,1007,1008,1007,1008,
&end
#
# 64 MET HB- 64 MET HG- 2.80 (# 1012:20 Unique 2.30, 2.67 A)
&rst
ixpk= 1012, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1004,1005,
igr2=1007,1008,
&end
#
# 43 THR MG2 0 AMB 20-1:1013 4.50 (# 1013:20 Single Ambig)
&rst
ixpk= 1013, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 688, 689, 690,
igr2= 18, 19, 18, 19,
&end
#
# 64 MET HN 64 MET HG+ 3.50 (# 1014:20 Unique 2.34, 3.17 A)
&rst
ixpk= 1014, 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+ 3.50 (# 1015:20 Unique 2.49, 3.11 A)
&rst
ixpk= 1015, nxpk= 20, iat=1002, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1007,1008,
&end
#
# 61 LEU HA 64 MET HG+ 4.50 (# 1016:20 Unique 2.96, 3.62 A)
&rst
ixpk= 1016, nxpk= 20, iat= 957, -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 (# 1017:20 Unique 2.30, 2.67 A)
&rst
ixpk= 1017, 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 HA 64 MET HG- 3.50 (# 1018:20 Unique 2.49, 3.11 A)
&rst
ixpk= 1018, nxpk= 20, iat=1002, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1007,1008,
&end
#
# 60 ILE QG2 64 MET HG- 5.50 (# 1019:20 Unique 3.05, 4.27 A)
&rst
ixpk= 1019, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 942, 943, 944,
igr2=1007,1008,
&end
#
# 64 MET HN 64 MET HG- 4.50 (# 1020:20 Unique 2.34, 3.17 A)
&rst
ixpk= 1020, nxpk= 20, iat=1000, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1007,1008,
&end
#
# 61 LEU HA 64 MET HG- 4.50 (# 1021:20 Unique 2.96, 3.62 A)
&rst
ixpk= 1021, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1007,1008,
&end
#
# 0 AMB 20-2:1022 64 MET HG- 3.50 (# 1022:20 Single Ambig)
&rst
ixpk= 1022, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
igr1=1011,1012,1013, 989, 990, 989, 990,
igr2=1007,1008,
&end
#
# 13 TYR HB+ 10 PRO HB+ 3.50 (# 1023:20 Unique 2.86, 4.36 A)
&rst
ixpk= 1023, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 207, 208,
igr2= 164, 165,
&end
#
# 13 TYR HB- 10 PRO HB+ 3.50 (# 1024:20 Unique 2.86, 4.36 A)
&rst
ixpk= 1024, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 207, 208,
igr2= 164, 165,
&end
#
# 11 GLU HN 10 PRO HB+ 4.50 (# 1025:20 Unique 3.04, 3.96 A)
&rst
ixpk= 1025, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 164, 165,
&end
#
# 10 PRO HG+ 10 PRO HB+ 2.80 (# 1026:20 Unique 2.36, 2.63 A)
&rst
ixpk= 1026, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 161, 162,
igr2= 164, 165,
&end
#
# 11 GLU HN 10 PRO HB- 3.50 (# 1027:20 Unique 3.04, 3.96 A)
&rst
ixpk= 1027, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 164, 165,
&end
#
# 0 AMB 20-2:1028 10 PRO HB- 2.80 (# 1028:20 Single Ambig)
&rst
ixpk= 1028, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 158, 159, 158, 159,
igr2= 164, 165,
&end
#
# 3 HIS HN 0 AMB 20-1:1029 3.50 (# 1029:20 Single Ambig)
&rst
ixpk= 1029, nxpk= 20, iat= 29, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 18, 19, 18, 19,
&end
#
# 2 GLU HA 0 AMB 20-1:1030 3.50 (# 1030:20 Single Ambig)
&rst
ixpk= 1030, nxpk= 20, iat= 16, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 18, 19, 18, 19,
&end
#
# 4 TRP HA 45 LYS HB+ 4.50 (# 1033:20 Unique 2.27, 3.27 A)
&rst
ixpk= 1033, nxpk= 20, iat= 48, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 716, 717,
&end
#
# 0 AMB 20-2:1034 0 AMB 20-1:1034 4.50 (# 1034:20 Double Ambig)
&rst
ixpk= 1034, 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 HA 38 PRO HB+ 2.80 (# 1035:20 Unique 2.27, 2.55 A)
&rst
ixpk= 1035, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 615, 616,
&end
#
# 0 AMB 20-2:1036 0 AMB 20-1:1036 2.80 (# 1036:20 Double Ambig)
&rst
ixpk= 1036, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 618, 167,
igr2= 615, 616, 164, 165,
&end
#
# 38 PRO HD+ 38 PRO HB- 3.50 (# 1037:20 Unique 2.83, 3.69 A)
&rst
ixpk= 1037, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 609, 610,
igr2= 615, 616,
&end
#
# 38 PRO HD- 0 AMB 20-1:1039 3.50 (# 1039:20 Single Ambig)
&rst
ixpk= 1039, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 609, 610,
igr2= 615, 616, 596,
&end
#
# 27 LYS HN 27 LYS HB+ 2.80 (# 1040:20 Unique 2.45, 3.05 A)
&rst
ixpk= 1040, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 429, 430,
&end
#
# 0 AMB 20-2:1041 0 AMB 20-1:1041 2.80 (# 1041:20 Double Ambig)
&rst
ixpk= 1041, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 570, 594,
igr2= 615, 616, 596,
&end
#
# 0 AMB 20-2:1042 0 AMB 20-1:1042 2.80 (# 1042:20 Double Ambig)
&rst
ixpk= 1042, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 432, 433, 432, 433,
igr2= 429, 430, 429, 430,
&end
#
# 27 LYS HN 27 LYS HB- 3.50 (# 1043:20 Unique 2.45, 3.05 A)
&rst
ixpk= 1043, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 429, 430,
&end
#
# 27 LYS HA 27 LYS HB- 2.80 (# 1044:20 Unique 2.48, 2.77 A)
&rst
ixpk= 1044, nxpk= 20, iat= 427, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 429, 430,
&end
#
# 45 LYS HN 45 LYS HB+ 3.50 (# 1045:20 Unique 2.33, 3.11 A)
&rst
ixpk= 1045, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 716, 717,
&end
#
# 45 LYS HA 45 LYS HB+ 3.50 (# 1046:20 Unique 2.46, 2.78 A)
&rst
ixpk= 1046, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 716, 717,
&end
#
# 72 ALA MB 45 LYS HB+ 4.50 (# 1047:20 Unique 2.22, 4.74 A)
&rst
ixpk= 1047, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1125,1126,1127,
igr2= 716, 717,
&end
#
# 45 LYS HG+ 45 LYS HB+ 2.80 (# 1048:20 Unique 2.42, 2.77 A)
&rst
ixpk= 1048, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 719, 720,
igr2= 716, 717,
&end
#
# 45 LYS HN 45 LYS HB- 4.50 (# 1049:20 Unique 2.33, 3.11 A)
&rst
ixpk= 1049, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 716, 717,
&end
#
# 4 TRP HA 45 LYS HB- 4.50 (# 1050:20 Unique 2.27, 3.27 A)
&rst
ixpk= 1050, nxpk= 20, iat= 48, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 716, 717,
&end
#
# 45 LYS HA 45 LYS HB- 3.50 (# 1051:20 Unique 2.46, 2.78 A)
&rst
ixpk= 1051, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 716, 717,
&end
#
# 45 LYS HG+ 45 LYS HB- 2.80 (# 1052:20 Unique 2.42, 2.77 A)
&rst
ixpk= 1052, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 719, 720,
igr2= 716, 717,
&end
#
# 0 AMB 20-2:1053 0 AMB 20-1:1053 3.50 (# 1053:20 Double Ambig)
&rst
ixpk= 1053, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 702, 703, 704, 706, 707, 708, 942, 943, 944, 353,
354, 355,
igr2= 33, 34,1007,1008, 33, 34,
&end
#
# 38 PRO HD+ 38 PRO HB+ 4.50 (# 1054:20 Unique 2.83, 3.69 A)
&rst
ixpk= 1054, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 609, 610,
igr2= 615, 616,
&end
#
# 37 VAL HA 38 PRO HB+ 5.50 (# 1055:20 Unique 4.98, 5.48 A)
&rst
ixpk= 1055, nxpk= 20, iat= 594, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 615, 616,
&end
#
# 38 PRO HD- 38 PRO HB+ 3.50 (# 1056:20 Unique 2.83, 3.69 A)
&rst
ixpk= 1056, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 609, 610,
igr2= 615, 616,
&end
#
# 0 AMB 20-2:1057 37 VAL HB 2.80 (# 1057:20 Single Ambig)
&rst
ixpk= 1057, 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
#
# 0 AMB 20-2:1058 0 AMB 20-1:1058 2.80 (# 1058:20 Double Ambig)
&rst
ixpk= 1058, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 592, 447,
igr2= 596, 429, 430,
&end
#
# 33 ILE HG1- 37 VAL HB 3.50 (# 1061:20 Unique 2.56, 3.52 A)
&rst
ixpk= 1061, nxpk= 20, iat= -1, 596, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 549, 550,
&end
#
# 33 ILE QD1 37 VAL HB 4.50 (# 1062:20 Unique 2.36, 3.53 A)
&rst
ixpk= 1062, 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 (# 1063:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1063, 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
#
# 0 AMB 20-2:1064 0 AMB 20-1:1064 3.50 (# 1064:20 Double Ambig)
&rst
ixpk= 1064, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 491, 492, 491, 492, 438, 439, 438, 439,
igr2= 482, 483, 482, 483, 429, 430,
&end
#
# 0 AMB 20-2:1065 40 LYS HB- 5.50 (# 1065:20 Single Ambig)
&rst
ixpk= 1065, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 700, 596,
igr2= 638, 639,
&end
#
# 45 LYS HD+ 45 LYS HB- 4.50 (# 1066:20 Unique 2.45, 2.81 A)
&rst
ixpk= 1066, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 722, 723,
igr2= 716, 717,
&end
#
# 18 VAL HN 17 HIS HB+ 4.50 (# 1067:20 Unique 2.51, 3.44 A)
&rst
ixpk= 1067, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 277, 278,
&end
#
# 0 AMB 20-2:1069 0 AMB 20-1:1069 4.50 (# 1069:20 Double Ambig)
&rst
ixpk= 1069, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 203, 258,
igr2= 277, 278, 277, 278,
&end
#
# 17 HIS HA 17 HIS HB+ 2.80 (# 1070:20 Unique 2.25, 2.47 A)
&rst
ixpk= 1070, nxpk= 20, iat= 275, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 277, 278,
&end
#
# 21 ALA MB 17 HIS HB+ 4.50 (# 1071:20 Unique 2.63, 5.44 A)
&rst
ixpk= 1071, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 334, 335, 336,
igr2= 277, 278,
&end
#
# 18 VAL HN 17 HIS HB- 3.50 (# 1072:20 Unique 2.51, 3.44 A)
&rst
ixpk= 1072, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 277, 278,
&end
#
# 17 HIS HA 17 HIS HB- 2.80 (# 1074:20 Unique 2.25, 2.47 A)
&rst
ixpk= 1074, nxpk= 20, iat= 275, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 277, 278,
&end
#
# 13 TYR HA 17 HIS HB- 5.50 (# 1075:20 Unique 2.02, 2.91 A)
&rst
ixpk= 1075, nxpk= 20, iat= 205, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 277, 278,
&end
#
# 4 TRP HN 3 HIS HB+ 4.50 (# 1076:20 Unique 2.55, 3.64 A)
&rst
ixpk= 1076, nxpk= 20, iat= 46, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 33, 34,
&end
#
# 3 HIS HN 3 HIS HB+ 4.50 (# 1077:20 Unique 2.28, 3.17 A)
&rst
ixpk= 1077, nxpk= 20, iat= 29, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 33, 34,
&end
#
# 3 HIS HA 3 HIS HB+ 3.50 (# 1078:20 Unique 2.53, 2.80 A)
&rst
ixpk= 1078, nxpk= 20, iat= 31, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 33, 34,
&end
#
# 0 AMB 20-2:1079 0 AMB 20-1:1079 5.50 (# 1079:20 Double Ambig)
&rst
ixpk= 1079, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 80, 81, 80, 81,
igr2= 33, 34, 33, 34,
&end
#
# 44 VAL MGX 3 HIS HB+ 4.50 (# 1080:20 Unique 2.51, 5.10 A)
&rst
ixpk= 1080, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 702, 703, 704, 706, 707, 708,
igr2= 33, 34,
&end
#
# 5 ILE QD1 3 HIS HB+ 4.50 (# 1081:20 Unique 2.31, 3.90 A)
&rst
ixpk= 1081, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 83, 84, 85,
igr2= 33, 34,
&end
#
# 37 VAL MGX 3 HIS HB+ 4.50 (# 1082:20 Unique 2.49, 4.14 A)
&rst
ixpk= 1082, 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= 33, 34,
&end
#
# 4 TRP HN 3 HIS HB- 4.50 (# 1083:20 Unique 2.55, 3.64 A)
&rst
ixpk= 1083, nxpk= 20, iat= 46, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 33, 34,
&end
#
# 3 HIS HN 3 HIS HB- 3.50 (# 1084:20 Unique 2.28, 3.17 A)
&rst
ixpk= 1084, nxpk= 20, iat= 29, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 33, 34,
&end
#
# 3 HIS HA 3 HIS HB- 3.50 (# 1086:20 Unique 2.53, 2.80 A)
&rst
ixpk= 1086, nxpk= 20, iat= 31, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 33, 34,
&end
#
# 44 VAL HA 3 HIS HB- 4.50 (# 1087:20 Unique 2.91, 3.83 A)
&rst
ixpk= 1087, nxpk= 20, iat= 698, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 33, 34,
&end
#
# 44 VAL MGY 3 HIS HB- 4.50 (# 1088:20 Unique 2.51, 5.10 A)
&rst
ixpk= 1088, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 702, 703, 704, 706, 707, 708,
igr2= 33, 34,
&end
#
# 44 VAL MGX 3 HIS HB- 4.50 (# 1089:20 Unique 2.51, 5.10 A)
&rst
ixpk= 1089, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 702, 703, 704, 706, 707, 708,
igr2= 33, 34,
&end
#
# 5 ILE QD1 3 HIS HB- 4.50 (# 1090:20 Unique 2.31, 3.90 A)
&rst
ixpk= 1090, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 83, 84, 85,
igr2= 33, 34,
&end
#
# 37 VAL MGX 3 HIS HB- 4.50 (# 1091:20 Unique 2.49, 4.14 A)
&rst
ixpk= 1091, 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= 33, 34,
&end
#
# 8 ARG HD- 8 ARG HB+ 4.50 (# 1092:20 Unique 2.30, 2.83 A)
&rst
ixpk= 1092, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 127, 128,
igr2= 121, 122,
&end
#
# 8 ARG HA 8 ARG HB- 4.50 (# 1093:20 Unique 2.35, 2.83 A)
&rst
ixpk= 1093, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 121, 122,
&end
#
# 0 AMB 20-2:1094 0 AMB 20-1:1094 2.80 (# 1094:20 Double Ambig)
&rst
ixpk= 1094, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 478, 447,
igr2= 482, 483, 429, 430,
&end
#
# 31 GLU HN 30 LYS HB+ 4.50 (# 1095:20 Unique 2.72, 3.69 A)
&rst
ixpk= 1095, nxpk= 20, iat= 500, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 482, 483,
&end
#
# 30 LYS HA 30 LYS HB+ 2.80 (# 1096:20 Unique 2.28, 2.75 A)
&rst
ixpk= 1096, nxpk= 20, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 482, 483,
&end
#
# 0 AMB 20-2:1097 0 AMB 20-1:1097 4.50 (# 1097:20 Double Ambig)
&rst
ixpk= 1097, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1007,1008, 248, 249,1190,1191,
igr2= 482, 483, 262, 263,1168,1169,
&end
#
# 30 LYS HA 30 LYS HB- 2.80 (# 1098:20 Unique 2.28, 2.75 A)
&rst
ixpk= 1098, nxpk= 20, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 482, 483,
&end
#
# 0 AMB 20-2:1099 30 LYS HB- 5.50 (# 1099:20 Single Ambig)
&rst
ixpk= 1099, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 491, 492, 491, 492,1007,1008,
igr2= 482, 483,
&end
#
# 30 LYS HG- 30 LYS HB- 3.50 (# 1100:20 Unique 2.28, 2.75 A)
&rst
ixpk= 1100, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 485, 486,
igr2= 482, 483,
&end
#
# 30 LYS HN 30 LYS HB- 2.80 (# 1101:20 Unique 2.21, 2.87 A)
&rst
ixpk= 1101, nxpk= 20, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 482, 483,
&end
#
# 31 GLU HN 30 LYS HB- 4.50 (# 1102:20 Unique 2.72, 3.69 A)
&rst
ixpk= 1102, nxpk= 20, iat= 500, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 482, 483,
&end
#
# 0 AMB 20-2:1103 30 LYS HB- 3.50 (# 1103:20 Single Ambig)
&rst
ixpk= 1103, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 942, 943, 944, 949, 950, 951, 468, 469, 470, 472,
473, 474,
igr2= 482, 483,
&end
#
# 66 TYR HA 40 LYS HB+ 3.50 (# 1104:20 Unique 2.09, 3.13 A)
&rst
ixpk= 1104, 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+ 3.50 (# 1105:20 Unique 2.22, 2.75 A)
&rst
ixpk= 1105, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 641, 642,
igr2= 638, 639,
&end
#
# 67 THR HN 40 LYS HB+ 4.50 (# 1106:20 Unique 2.83, 4.50 A)
&rst
ixpk= 1106, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 638, 639,
&end
#
# 40 LYS HN 40 LYS HB- 3.50 (# 1107:20 Unique 2.33, 3.06 A)
&rst
ixpk= 1107, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 638, 639,
&end
#
# 66 TYR HA 40 LYS HB- 4.50 (# 1108:20 Unique 2.09, 3.13 A)
&rst
ixpk= 1108, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 638, 639,
&end
#
# 0 AMB 20-2:1109 40 LYS HB- 2.80 (# 1109:20 Single Ambig)
&rst
ixpk= 1109, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 641, 642, 644, 645,
igr2= 638, 639,
&end
#
# 40 LYS HG- 40 LYS HB- 3.50 (# 1110:20 Unique 2.22, 2.75 A)
&rst
ixpk= 1110, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 641, 642,
igr2= 638, 639,
&end
#
# 13 TYR HA 17 HIS HB+ 5.50 (# 1111:20 Unique 2.02, 2.91 A)
&rst
ixpk= 1111, nxpk= 20, iat= 205, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 277, 278,
&end
#
# 13 TYR HN 17 HIS HB- 4.50 (# 1112:20 Unique 3.39, 4.99 A)
&rst
ixpk= 1112, nxpk= 20, iat= 203, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 277, 278,
&end
#
# 21 ALA MB 17 HIS HB- 4.50 (# 1113:20 Unique 2.63, 5.44 A)
&rst
ixpk= 1113, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 334, 335, 336,
igr2= 277, 278,
&end
#
# 0 AMB 20-2:1115 0 AMB 20-1:1115 3.50 (# 1115:20 Double Ambig)
&rst
ixpk= 1115, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 127, 128,1245,1246,
igr2= 121, 122,1251,1252,
&end
#
# 83 VAL HN 0 AMB 20-1:1116 4.50 (# 1116:20 Single Ambig)
&rst
ixpk= 1116, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 262, 263,1251,1252,
&end
#
# 9 VAL HN 8 ARG HB+ 3.50 (# 1117:20 Unique 1.96, 3.33 A)
&rst
ixpk= 1117, nxpk= 20, iat= 141, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 121, 122,
&end
#
# 8 ARG HA 8 ARG HB+ 3.50 (# 1118:20 Unique 2.35, 2.83 A)
&rst
ixpk= 1118, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 121, 122,
&end
#
# 0 AMB 20-2:1119 8 ARG HB- 3.50 (# 1119:20 Single Ambig)
&rst
ixpk= 1119, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 117, 849, 850,
igr2= 121, 122,
&end
#
# 0 AMB 20-2:1122 0 AMB 20-1:1122 2.80 (# 1122:20 Double Ambig)
&rst
ixpk= 1122, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1=1262,1263,1303,1304,1303,1304, 485, 486,1171,1172,
1171,1172,
igr2= 262, 263, 482, 483,1168,1169,
&end
#
# 19 GLN HN 81 PRO HB- 5.50 (# 1123:20 Unique 3.71, 4.87 A)
&rst
ixpk= 1123, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1251,1252,
&end
#
# 82 LYS HN 81 PRO HB- 4.50 (# 1124:20 Unique 2.83, 3.32 A)
&rst
ixpk= 1124, 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- 4.50 (# 1125:20 Unique 2.81, 3.69 A)
&rst
ixpk= 1125, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1245,1246,
igr2=1251,1252,
&end
#
# 40 LYS HN 40 LYS HB+ 4.50 (# 1126:20 Unique 2.33, 3.06 A)
&rst
ixpk= 1126, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 638, 639,
&end
#
# 40 LYS HA 40 LYS HB+ 3.50 (# 1127:20 Unique 2.31, 2.52 A)
&rst
ixpk= 1127, nxpk= 20, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 638, 639,
&end
#
# 40 LYS HA 40 LYS HB- 3.50 (# 1128:20 Unique 2.31, 2.52 A)
&rst
ixpk= 1128, nxpk= 20, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 638, 639,
&end
#
# 41 ASN HN 40 LYS HB- 5.50 (# 1129:20 Unique 3.27, 4.26 A)
&rst
ixpk= 1129, nxpk= 20, iat= 656, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 638, 639,
&end
#
# 82 LYS HN 81 PRO HB+ 3.50 (# 1130:20 Unique 2.83, 3.32 A)
&rst
ixpk= 1130, nxpk= 20, iat=1258, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1251,1252,
&end
#
# 81 PRO HA 81 PRO HB+ 2.80 (# 1131:20 Unique 2.29, 2.63 A)
&rst
ixpk= 1131, nxpk= 20, iat=1254, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1251,1252,
&end
#
# 81 PRO HD+ 81 PRO HB+ 4.50 (# 1132:20 Unique 2.81, 3.69 A)
&rst
ixpk= 1132, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1245,1246,
igr2=1251,1252,
&end
#
# 0 AMB 20-2:1134 0 AMB 20-1:1134 4.50 (# 1134:20 Double Ambig)
&rst
ixpk= 1134, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 248, 249, 145,
igr2= 262, 263, 121, 122,
&end
#
# 0 AMB 20-2:1135 0 AMB 20-1:1135 3.50 (# 1135:20 Double Ambig)
&rst
ixpk= 1135, nxpk= 20, iat= -1, -1, 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,
igr2= 903, 904, 903, 904, 903, 904,
&end
#
# 82 LYS HN 16 GLU HB+ 5.50 (# 1136:20 Unique 4.71, 5.70 A)
&rst
ixpk= 1136, nxpk= 20, iat=1258, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 262, 263,
&end
#
# 59 GLU HN 58 LYS HB+ 3.50 (# 1137:20 Unique 2.50, 3.25 A)
&rst
ixpk= 1137, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 903, 904,
&end
#
# 55 GLY HA+ 58 LYS HB+ 4.50 (# 1138:20 Unique 2.17, 3.53 A)
&rst
ixpk= 1138, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 867, 868,
igr2= 903, 904,
&end
#
# 58 LYS HA 58 LYS HB+ 2.80 (# 1139:20 Unique 2.42, 2.77 A)
&rst
ixpk= 1139, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 903, 904,
&end
#
# 58 LYS HG+ 58 LYS HB+ 2.80 (# 1140:20 Unique 2.27, 2.65 A)
&rst
ixpk= 1140, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 906, 907,
igr2= 903, 904,
&end
#
# 76 LYS HA 76 LYS HB+ 2.80 (# 1141:20 Unique 2.31, 2.72 A)
&rst
ixpk= 1141, nxpk= 20, iat=1166, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1168,1169,
&end
#
# 76 LYS HN 76 LYS HB+ 3.50 (# 1142:20 Unique 2.33, 2.88 A)
&rst
ixpk= 1142, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1168,1169,
&end
#
# 0 AMB 20-2:1143 0 AMB 20-1:1143 2.80 (# 1143:20 Double Ambig)
&rst
ixpk= 1143, 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 20-2:1144 0 AMB 20-1:1144 3.50 (# 1144:20 Double Ambig)
&rst
ixpk= 1144, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 942, 943, 944, 468, 469, 470, 472, 473, 474,1154,
1155,1156,1158,1159,1160,
igr2= 482, 483, 482, 483, 262, 263,
&end
#
# 76 LYS HN 76 LYS HB- 3.50 (# 1145:20 Unique 2.33, 2.88 A)
&rst
ixpk= 1145, 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 (# 1146:20 Unique 2.29, 2.63 A)
&rst
ixpk= 1146, nxpk= 20, iat=1254, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1251,1252,
&end
#
# 58 LYS HA 58 LYS HB- 2.80 (# 1147:20 Unique 2.42, 2.77 A)
&rst
ixpk= 1147, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 903, 904,
&end
#
# 0 AMB 20-2:1148 58 LYS HB- 3.50 (# 1148:20 Single Ambig)
&rst
ixpk= 1148, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 740, 741, 742, 744, 745, 746,1082,1083,1084,1086,
1087,1088,1082,1083,1084,1086,1087,1088,
igr2= 903, 904,
&end
#
# 59 GLU HN 58 LYS HB- 4.50 (# 1150:20 Unique 2.50, 3.25 A)
&rst
ixpk= 1150, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 903, 904,
&end
#
# 0 AMB 20-2:1151 58 LYS HB- 3.50 (# 1151:20 Single Ambig)
&rst
ixpk= 1151, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1111,1112, 928, 929,
igr2= 903, 904,
&end
#
# 0 AMB 20-2:1153 0 AMB 20-1:1153 4.50 (# 1153:20 Double Ambig)
&rst
ixpk= 1153, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 258, 368, 369,
igr2= 262, 263, 121, 122,
&end
#
# 29 VAL HN 29 VAL HB 2.80 (# 1154:20 Unique 2.07, 2.19 A)
&rst
ixpk= 1154, nxpk= 20, iat= 462, 466, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 LEU HA 29 VAL HB 3.50 (# 1155:20 Unique 2.45, 2.71 A)
&rst
ixpk= 1155, nxpk= 20, iat= 408, 466, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1156 0 AMB 20-1:1156 3.50 (# 1156:20 Double Ambig)
&rst
ixpk= 1156, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 775, 776, 464,
igr2= 121, 122, 466,
&end
#
# 0 AMB 20-2:1157 29 VAL HB 2.80 (# 1157:20 Single Ambig)
&rst
ixpk= 1157, nxpk= 20, iat= -1, 466, 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
#
# 0 AMB 20-2:1158 29 VAL HB 2.80 (# 1158:20 Single Ambig)
&rst
ixpk= 1158, 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
#
# 24 ILE QG2 29 VAL HB 4.50 (# 1159:20 Unique 3.02, 4.22 A)
&rst
ixpk= 1159, nxpk= 20, iat= -1, 466, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 379, 380, 381,
&end
#
# 0 AMB 20-2:1160 29 VAL HB 3.50 (# 1160:20 Single Ambig)
&rst
ixpk= 1160, nxpk= 20, iat= -1, 466, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 447, 478,
&end
#
# 77 ASP HN 76 LYS HB+ 5.50 (# 1161:20 Unique 2.70, 3.61 A)
&rst
ixpk= 1161, nxpk= 20, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1168,1169,
&end
#
# 17 HIS HN 16 GLU HB+ 5.50 (# 1162:20 Unique 2.61, 3.65 A)
&rst
ixpk= 1162, nxpk= 20, iat= 273, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 262, 263,
&end
#
# 0 AMB 20-2:1163 0 AMB 20-1:1163 3.50 (# 1163:20 Double Ambig)
&rst
ixpk= 1163, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 260, 773,
igr2= 262, 263, 121, 122,
&end
#
# 16 GLU HN 16 GLU HB- 4.50 (# 1164:20 Unique 3.12, 3.82 A)
&rst
ixpk= 1164, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 262, 263,
&end
#
# 25 PRO HD+ 28 GLU HB+ 4.50 (# 1165:20 Unique 2.56, 4.55 A)
&rst
ixpk= 1165, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 393, 394,
igr2= 451, 452,
&end
#
# 28 GLU HA 28 GLU HB- 3.50 (# 1166:20 Unique 2.36, 2.73 A)
&rst
ixpk= 1166, nxpk= 20, iat= 449, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 451, 452,
&end
#
# 28 GLU HN 28 GLU HB+ 4.50 (# 1167:20 Unique 2.52, 3.19 A)
&rst
ixpk= 1167, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 451, 452,
&end
#
# 28 GLU HA 28 GLU HB+ 2.80 (# 1168:20 Unique 2.36, 2.73 A)
&rst
ixpk= 1168, nxpk= 20, iat= 449, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 451, 452,
&end
#
# 28 GLU HG- 28 GLU HB+ 2.80 (# 1169:20 Unique 2.41, 2.74 A)
&rst
ixpk= 1169, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 454, 455,
igr2= 451, 452,
&end
#
# 24 ILE QG2 28 GLU HB+ 4.50 (# 1170:20 Unique 3.23, 4.73 A)
&rst
ixpk= 1170, 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
#
# 29 VAL HN 28 GLU HB- 4.50 (# 1171:20 Unique 2.98, 3.79 A)
&rst
ixpk= 1171, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 451, 452,
&end
#
# 25 PRO HD+ 28 GLU HB- 3.50 (# 1172:20 Unique 2.56, 4.55 A)
&rst
ixpk= 1172, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 393, 394,
igr2= 451, 452,
&end
#
# 32 ARG HD- 28 GLU HB- 3.50 (# 1173:20 Unique 2.12, 2.99 A)
&rst
ixpk= 1173, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 525, 526,
igr2= 451, 452,
&end
#
# 24 ILE QG2 28 GLU HB- 3.50 (# 1174:20 Unique 3.23, 4.73 A)
&rst
ixpk= 1174, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 379, 380, 381,
igr2= 451, 452,
&end
#
# 29 VAL HB 7 VAL HB 3.50 (# 1175:20 Unique 3.55, 3.58 A)
&rst
ixpk= 1175, nxpk= 20, iat= 466, 105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 VAL HB 7 VAL HB 3.50 (# 1176:20 Unique 3.55, 3.58 A)
&rst
ixpk= 1176, nxpk= 20, iat= 466, 105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 LEU HN 7 VAL HB 3.50 (# 1177:20 Unique 3.00, 3.25 A)
&rst
ixpk= 1177, nxpk= 20, iat= 406, 105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 7 VAL HN 7 VAL HB 5.50 (# 1178:20 Unique 3.83, 3.89 A)
&rst
ixpk= 1178, nxpk= 20, iat= 101, 105, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 VAL HA 7 VAL HB 2.80 (# 1179:20 Unique 2.35, 2.39 A)
&rst
ixpk= 1179, nxpk= 20, iat= 103, 105, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 LEU HA 7 VAL HB 3.50 (# 1180:20 Unique 2.70, 2.93 A)
&rst
ixpk= 1180, nxpk= 20, iat= 408, 105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1181 7 VAL HB 3.50 (# 1181:20 Single Ambig)
&rst
ixpk= 1181, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 893, 894, 895, 410, 411,
&end
#
# 0 AMB 20-2:1182 7 VAL HB 2.80 (# 1182:20 Single Ambig)
&rst
ixpk= 1182, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 107, 108, 109, 111, 112, 113, 468, 469, 470, 472,
473, 474,
&end
#
# 7 VAL MGX 7 VAL HB 2.80 (# 1183:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1183, 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
#
# 32 ARG HN 0 AMB 20-1:1184 3.50 (# 1184:20 Single Ambig)
&rst
ixpk= 1184, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 504, 505, 504, 505,
&end
#
# 31 GLU HN 0 AMB 20-1:1185 2.80 (# 1185:20 Single Ambig)
&rst
ixpk= 1185, nxpk= 20, iat= 500, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 504, 505, 504, 505,
&end
#
# 31 GLU HA 0 AMB 20-1:1186 2.80 (# 1186:20 Single Ambig)
&rst
ixpk= 1186, nxpk= 20, iat= 502, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 504, 505, 504, 505,
&end
#
# 0 AMB 20-2:1187 0 AMB 20-1:1187 2.80 (# 1187:20 Double Ambig)
&rst
ixpk= 1187, 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
#
# 28 GLU HA 0 AMB 20-1:1188 4.50 (# 1188:20 Single Ambig)
&rst
ixpk= 1188, nxpk= 20, iat= 449, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 504, 505, 504, 505,
&end
#
# 0 AMB 20-2:1189 0 AMB 20-1:1189 4.50 (# 1189:20 Double Ambig)
&rst
ixpk= 1189, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1234,1235, 350, 351,
igr2= 50, 51, 50, 51,
&end
#
# 0 AMB 20-2:1190 4 TRP HB- 4.50 (# 1190:20 Single Ambig)
&rst
ixpk= 1190, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1234,1235, 350, 351,
igr2= 50, 51,
&end
#
# 0 AMB 20-2:1191 7 VAL HB 4.50 (# 1191:20 Single Ambig)
&rst
ixpk= 1191, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 402, 856,
&end
#
# 51 GLY HN 0 AMB 20-1:1192 4.50 (# 1192:20 Single Ambig)
&rst
ixpk= 1192, nxpk= 20, iat= 806, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 817, 818, 817, 818,
&end
#
# 0 AMB 20-2:1193 0 AMB 20-1:1193 5.50 (# 1193:20 Double Ambig)
&rst
ixpk= 1193, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 808, 809, 808, 809,
igr2= 817, 818, 817, 818,
&end
#
# 52 ARG HA 0 AMB 20-1:1194 2.80 (# 1194:20 Single Ambig)
&rst
ixpk= 1194, nxpk= 20, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 817, 818, 817, 818,
&end
#
# 0 AMB 20-2:1195 0 AMB 20-1:1195 3.50 (# 1195:20 Double Ambig)
&rst
ixpk= 1195, 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 20-2:1196 0 AMB 20-1:1196 2.80 (# 1196:20 Double Ambig)
&rst
ixpk= 1196, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 820, 821, 820, 821, 522, 523,
igr2= 817, 818, 817, 818, 504, 505, 504, 505,
&end
#
# 52 ARG HN 0 AMB 20-1:1197 4.50 (# 1197:20 Single Ambig)
&rst
ixpk= 1197, nxpk= 20, iat= 813, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 817, 818, 817, 818,
&end
#
# 71 ASN HN 58 LYS HD- 4.50 (# 1199:20 Unique 3.68, 5.04 A)
&rst
ixpk= 1199, nxpk= 20, iat=1107, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:1200 58 LYS HD- 5.50 (# 1200:20 Single Ambig)
&rst
ixpk= 1200, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1094, 976,
igr2= 909, 910,
&end
#
# 71 ASN HB+ 58 LYS HD- 5.50 (# 1201:20 Unique 3.53, 5.05 A)
&rst
ixpk= 1201, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1111,1112,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:1202 58 LYS HD- 3.50 (# 1202:20 Single Ambig)
&rst
ixpk= 1202, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 912, 913, 912, 913,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:1203 58 LYS HD- 3.50 (# 1203:20 Single Ambig)
&rst
ixpk= 1203, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 903, 904, 925, 926,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:1204 58 LYS HD- 4.50 (# 1204:20 Single Ambig)
&rst
ixpk= 1204, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 928, 929,1111,1112,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:1207 58 LYS HD- 4.50 (# 1207:20 Single Ambig)
&rst
ixpk= 1207, 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= 909, 910,
&end
#
# 4 TRP HA 4 TRP HB+ 3.50 (# 1208:20 Unique 2.31, 2.73 A)
&rst
ixpk= 1208, nxpk= 20, iat= 48, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 50, 51,
&end
#
# 18 VAL MGX 4 TRP HB+ 4.50 (# 1209:20 Unique 2.63, 6.09 A)
&rst
ixpk= 1209, 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= 50, 51,
&end
#
# 5 ILE HN 4 TRP HB+ 5.50 (# 1210:20 Unique 2.84, 3.77 A)
&rst
ixpk= 1210, nxpk= 20, iat= 70, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 50, 51,
&end
#
# 4 TRP HN 4 TRP HB+ 3.50 (# 1211:20 Unique 2.41, 3.13 A)
&rst
ixpk= 1211, nxpk= 20, iat= 46, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 50, 51,
&end
#
# 22 ILE HN 4 TRP HB+ 5.50 (# 1212:20 Unique 3.96, 4.71 A)
&rst
ixpk= 1212, nxpk= 20, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 50, 51,
&end
#
# 21 ALA HA 4 TRP HB+ 3.50 (# 1215:20 Unique 2.25, 3.08 A)
&rst
ixpk= 1215, nxpk= 20, iat= 332, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 50, 51,
&end
#
# 5 ILE HN 4 TRP HB- 5.50 (# 1216:20 Unique 2.84, 3.77 A)
&rst
ixpk= 1216, nxpk= 20, iat= 70, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 50, 51,
&end
#
# 4 TRP HN 4 TRP HB- 3.50 (# 1219:20 Unique 2.41, 3.13 A)
&rst
ixpk= 1219, nxpk= 20, iat= 46, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 50, 51,
&end
#
# 4 TRP HA 4 TRP HB- 3.50 (# 1220:20 Unique 2.31, 2.73 A)
&rst
ixpk= 1220, nxpk= 20, iat= 48, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 50, 51,
&end
#
# 21 ALA HA 4 TRP HB- 2.80 (# 1221:20 Unique 2.25, 3.08 A)
&rst
ixpk= 1221, nxpk= 20, iat= 332, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 50, 51,
&end
#
# 18 VAL MGX 4 TRP HB- 4.50 (# 1222:20 Unique 2.63, 6.09 A)
&rst
ixpk= 1222, 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= 50, 51,
&end
#
# 0 AMB 20-2:1223 0 AMB 20-1:1223 3.50 (# 1223:20 Double Ambig)
&rst
ixpk= 1223, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.77, r4= 8.52,
igr1= 942, 943, 944, 415, 416, 417, 419, 420, 421, 949,
950, 951,
igr2= 488, 489, 488, 489, 435, 436, 435, 436, 488, 489,
&end
#
# 30 LYS HA 0 AMB 20-1:1226 3.50 (# 1226:20 Single Ambig)
&rst
ixpk= 1226, nxpk= 20, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 488, 489, 488, 489,
&end
#
# 0 AMB 20-2:1227 9 VAL HB 4.50 (# 1227:20 Single Ambig)
&rst
ixpk= 1227, nxpk= 20, iat= -1, 145, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 161, 162, 399, 400,
&end
#
# 11 GLU HN 9 VAL HB 4.50 (# 1228:20 Unique 2.23, 2.47 A)
&rst
ixpk= 1228, nxpk= 20, iat= 171, 145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 9 VAL HA 9 VAL HB 2.80 (# 1229:20 Unique 2.52, 2.55 A)
&rst
ixpk= 1229, nxpk= 20, iat= 143, 145, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:1230 9 VAL HB 2.80 (# 1230:20 Single Ambig)
&rst
ixpk= 1230, 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 (# 1231:20 Unique 2.35, 2.66 A)
&rst
ixpk= 1231, 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 (# 1232:20 Unique 2.35, 2.66 A)
&rst
ixpk= 1232, 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
#
# 30 LYS HN 0 AMB 20-1:1233 4.50 (# 1233:20 Single Ambig)
&rst
ixpk= 1233, nxpk= 20, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 488, 489, 488, 489,
&end
#
# 9 VAL HN 9 VAL HB 4.50 (# 1234:20 Unique 3.47, 3.54 A)
&rst
ixpk= 1234, nxpk= 20, iat= 141, 145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1235 9 VAL HB 4.50 (# 1235:20 Single Ambig)
&rst
ixpk= 1235, nxpk= 20, iat= -1, 145, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 161, 162, 396, 397,
&end
#
# 51 GLY HN 53 GLN HB- 5.50 (# 1237:20 Unique 3.86, 5.86 A)
&rst
ixpk= 1237, nxpk= 20, iat= 806, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 841, 842,
&end
#
# 53 GLN HA 53 GLN HB- 3.50 (# 1238:20 Unique 2.32, 2.77 A)
&rst
ixpk= 1238, nxpk= 20, iat= 839, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 841, 842,
&end
#
# 0 AMB 20-2:1239 53 GLN HB- 5.50 (# 1239:20 Single Ambig)
&rst
ixpk= 1239, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 775, 776, 786, 787,
igr2= 841, 842,
&end
#
# 53 GLN HG+ 53 GLN HB- 2.80 (# 1240:20 Unique 2.27, 2.73 A)
&rst
ixpk= 1240, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 844, 845,
igr2= 841, 842,
&end
#
# 0 AMB 20-2:1241 0 AMB 20-1:1241 2.80 (# 1241:20 Double Ambig)
&rst
ixpk= 1241, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.34, r4= 8.09,
igr1= 438, 439, 438, 439, 438, 439,1177,1178,1177,1178,
1177,1178, 491, 492, 491, 492, 491, 492,
igr2= 435, 436, 435, 436, 435, 436,1174,1175,1174,1175,
1174,1175, 488, 489, 488, 489, 488, 489,
&end
#
# 48 CYS HB+ 53 GLN HB+ 4.50 (# 1242:20 Unique 2.15, 3.62 A)
&rst
ixpk= 1242, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 775, 776,
igr2= 841, 842,
&end
#
# 51 GLY HN 53 GLN HB+ 5.50 (# 1243:20 Unique 3.86, 5.86 A)
&rst
ixpk= 1243, nxpk= 20, iat= 806, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 841, 842,
&end
#
# 53 GLN HA 53 GLN HB+ 3.50 (# 1245:20 Unique 2.32, 2.77 A)
&rst
ixpk= 1245, nxpk= 20, iat= 839, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 841, 842,
&end
#
# 26 LEU MDX 53 GLN HB- 3.50 (# 1247:20 Unique 2.23, 5.40 A)
&rst
ixpk= 1247, 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= 841, 842,
&end
#
# 7 VAL MGX 53 GLN HB- 3.50 (# 1248:20 Unique 2.85, 6.40 A)
&rst
ixpk= 1248, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 841, 842,
&end
#
# 27 LYS HA 0 AMB 20-1:1249 4.50 (# 1249:20 Single Ambig)
&rst
ixpk= 1249, nxpk= 20, iat= 427, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 435, 436, 435, 436,
&end
#
# 82 LYS HE- 82 LYS HD+ 3.50 (# 1251:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1251, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1271,1272,
igr2=1268,1269,
&end
#
# 0 AMB 20-2:1252 0 AMB 20-1:1252 3.50 (# 1252:20 Double Ambig)
&rst
ixpk= 1252, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1=1154,1155,1156,1158,1159,1160,1265,1266,
igr2=1268,1269,1268,1269,
&end
#
# 0 AMB 20-2:1254 0 AMB 20-1:1254 3.50 (# 1254:20 Double Ambig)
&rst
ixpk= 1254, 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 (# 1255:20 Unique 2.25, 2.70 A)
&rst
ixpk= 1255, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 641, 642,
igr2= 644, 645,
&end
#
# 40 LYS HN 40 LYS HD+ 5.50 (# 1256:20 Unique 2.12, 4.52 A)
&rst
ixpk= 1256, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 644, 645,
&end
#
# 40 LYS HN 40 LYS HD- 4.50 (# 1257:20 Unique 2.12, 4.52 A)
&rst
ixpk= 1257, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 644, 645,
&end
#
# 65 GLY HA+ 40 LYS HD- 4.50 (# 1259:20 Unique 3.19, 4.89 A)
&rst
ixpk= 1259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1019,1020,
igr2= 644, 645,
&end
#
# 0 AMB 20-2:1260 40 LYS HD- 3.50 (# 1260:20 Single Ambig)
&rst
ixpk= 1260, 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- 2.80 (# 1261:20 Unique 2.25, 2.70 A)
&rst
ixpk= 1261, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 641, 642,
igr2= 644, 645,
&end
#
# 7 VAL MGX 53 GLN HB+ 3.50 (# 1262:20 Unique 2.85, 6.40 A)
&rst
ixpk= 1262, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 841, 842,
&end
#
# 0 AMB 20-2:1263 0 AMB 20-1:1263 2.80 (# 1263:20 Double Ambig)
&rst
ixpk= 1263, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.18, r4= 5.93,
igr1= 921, 253, 254, 253, 254,
igr2= 925, 926, 925, 926, 245, 246, 245, 246,
&end
#
# 84 LYS HN 0 AMB 20-1:1264 5.50 (# 1264:20 Single Ambig)
&rst
ixpk= 1264, nxpk= 20, iat=1296, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1306,1307,1306,1307,
&end
#
# 84 LYS HA 0 AMB 20-1:1265 5.50 (# 1265:20 Single Ambig)
&rst
ixpk= 1265, nxpk= 20, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1306,1307,1306,1307,
&end
#
# 18 VAL HA 82 LYS HD+ 5.50 (# 1266:20 Unique 4.07, 5.03 A)
&rst
ixpk= 1266, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1268,1269,
&end
#
# 82 LYS HE+ 82 LYS HD+ 3.50 (# 1268:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1268, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1271,1272,
igr2=1268,1269,
&end
#
# 75 LEU MDY 82 LYS HD+ 4.50 (# 1269:20 Unique 2.34, 5.48 A)
&rst
ixpk= 1269, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1154,1155,1156,1158,1159,1160,
igr2=1268,1269,
&end
#
# 82 LYS HE+ 82 LYS HD- 3.50 (# 1270:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1270, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1271,1272,
igr2=1268,1269,
&end
#
# 82 LYS HE- 82 LYS HD- 4.50 (# 1271:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1271, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1271,1272,
igr2=1268,1269,
&end
#
# 75 LEU MDY 82 LYS HD- 4.50 (# 1272:20 Unique 2.34, 5.48 A)
&rst
ixpk= 1272, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1154,1155,1156,1158,1159,1160,
igr2=1268,1269,
&end
#
# 0 AMB 20-2:1274 82 LYS HD- 3.50 (# 1274:20 Single Ambig)
&rst
ixpk= 1274, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1154,1155,1156,1158,1159,1160,1265,1266,
igr2=1268,1269,
&end
#
# 52 ARG HG+ 53 GLN HB+ 4.50 (# 1275:20 Unique 4.33, 5.67 A)
&rst
ixpk= 1275, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 820, 821,
igr2= 841, 842,
&end
#
# 63 GLU HN 0 AMB 20-1:1278 2.80 (# 1278:20 Single Ambig)
&rst
ixpk= 1278, nxpk= 20, iat= 985, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 989, 990, 989, 990,
&end
#
# 64 MET HN 0 AMB 20-1:1279 3.50 (# 1279:20 Single Ambig)
&rst
ixpk= 1279, nxpk= 20, iat=1000, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 989, 990, 989, 990,
&end
#
# 0 AMB 20-2:1280 0 AMB 20-1:1280 2.80 (# 1280:20 Double Ambig)
&rst
ixpk= 1280, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 923, 987,
igr2= 925, 926, 925, 926, 989, 990, 989, 990,
&end
#
# 60 ILE HA 0 AMB 20-1:1281 3.50 (# 1281:20 Single Ambig)
&rst
ixpk= 1281, nxpk= 20, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 989, 990, 989, 990,
&end
#
# 0 AMB 20-2:1282 0 AMB 20-1:1282 5.50 (# 1282:20 Double Ambig)
&rst
ixpk= 1282, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 942, 943, 944, 949, 950, 951,
igr2= 989, 990, 989, 990, 925, 926, 925, 926,
&end
#
# 0 AMB 20-2:1283 0 AMB 20-1:1283 2.80 (# 1283:20 Double Ambig)
&rst
ixpk= 1283, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 248, 249, 248, 249,1007,1008,
igr2= 245, 246, 245, 246, 989, 990,
&end
#
# 0 AMB 20-2:1284 0 AMB 20-1:1284 4.50 (# 1284:20 Double Ambig)
&rst
ixpk= 1284, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 909, 910, 903, 904,
igr2= 925, 926, 925, 926, 925, 926,
&end
#
# 44 VAL HN 68 HIS HB+ 4.50 (# 1286:20 Unique 3.65, 4.11 A)
&rst
ixpk= 1286, nxpk= 20, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1063,1064,
&end
#
# 68 HIS HA 68 HIS HB+ 3.50 (# 1287:20 Unique 2.46, 2.77 A)
&rst
ixpk= 1287, 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+ 4.50 (# 1288:20 Unique 2.62, 3.26 A)
&rst
ixpk= 1288, nxpk= 20, iat=1059, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1063,1064,
&end
#
# 43 THR MG2 68 HIS HB+ 4.50 (# 1289:20 Unique 2.29, 4.42 A)
&rst
ixpk= 1289, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 688, 689, 690,
igr2=1063,1064,
&end
#
# 68 HIS HN 68 HIS HB- 4.50 (# 1290:20 Unique 2.62, 3.26 A)
&rst
ixpk= 1290, nxpk= 20, iat=1059, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1063,1064,
&end
#
# 44 VAL HN 68 HIS HB- 4.50 (# 1291:20 Unique 3.65, 4.11 A)
&rst
ixpk= 1291, nxpk= 20, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1063,1064,
&end
#
# 68 HIS HA 68 HIS HB- 3.50 (# 1292:20 Unique 2.46, 2.77 A)
&rst
ixpk= 1292, nxpk= 20, iat=1061, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1063,1064,
&end
#
# 43 THR MG2 68 HIS HB- 5.50 (# 1294:20 Unique 2.29, 4.42 A)
&rst
ixpk= 1294, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 688, 689, 690,
igr2=1063,1064,
&end
#
# 60 ILE QD1 56 GLN HB+ 3.50 (# 1295:20 Unique 3.12, 4.67 A)
&rst
ixpk= 1295, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 949, 950, 951,
igr2= 876, 877,
&end
#
# 81 PRO HD- 19 GLN HB+ 5.50 (# 1296:20 Unique 2.43, 4.99 A)
&rst
ixpk= 1296, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1245,1246,
igr2= 310, 311,
&end
#
# 83 VAL MGX 19 GLN HB+ 4.50 (# 1297:20 Unique 2.25, 4.61 A)
&rst
ixpk= 1297, 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
#
# 19 GLN HN 19 GLN HB+ 3.50 (# 1298:20 Unique 2.22, 2.55 A)
&rst
ixpk= 1298, 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+ 3.50 (# 1299:20 Unique 2.18, 2.73 A)
&rst
ixpk= 1299, nxpk= 20, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 310, 311,
&end
#
# 19 GLN HN 19 GLN HB- 3.50 (# 1300:20 Unique 2.22, 2.55 A)
&rst
ixpk= 1300, 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- 3.50 (# 1301:20 Unique 2.18, 2.73 A)
&rst
ixpk= 1301, nxpk= 20, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 310, 311,
&end
#
# 81 PRO HD- 19 GLN HB- 5.50 (# 1302:20 Unique 2.43, 4.99 A)
&rst
ixpk= 1302, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1245,1246,
igr2= 310, 311,
&end
#
# 19 GLN HG+ 19 GLN HB- 2.80 (# 1303:20 Unique 2.18, 2.63 A)
&rst
ixpk= 1303, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 313, 314,
igr2= 310, 311,
&end
#
# 83 VAL MGX 19 GLN HB- 4.50 (# 1304:20 Unique 2.25, 4.61 A)
&rst
ixpk= 1304, 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
#
# 0 AMB 20-2:1305 0 AMB 20-1:1305 4.50 (# 1305:20 Double Ambig)
&rst
ixpk= 1305, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 925, 926, 925, 926, 989, 990,
igr2= 946, 947, 946, 947, 946, 947,
&end
#
# 60 ILE HA 60 ILE HG1+ 3.50 (# 1306:20 Unique 2.46, 2.65 A)
&rst
ixpk= 1306, nxpk= 20, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:1307 0 AMB 20-1:1307 4.50 (# 1307:20 Double Ambig)
&rst
ixpk= 1307, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 925, 926, 925, 926, 989, 990,
igr2= 946, 947, 946, 947, 946, 947,
&end
#
# 45 LYS HE+ 45 LYS HD+ 3.50 (# 1309:20 Unique 2.31, 2.72 A)
&rst
ixpk= 1309, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 725, 726,
igr2= 722, 723,
&end
#
# 0 AMB 20-2:1310 0 AMB 20-1:1310 2.80 (# 1310:20 Double Ambig)
&rst
ixpk= 1310, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 719, 720, 716, 717,
igr2= 722, 723, 722, 723,
&end
#
# 72 ALA MB 45 LYS HD+ 5.50 (# 1311:20 Unique 3.08, 5.46 A)
&rst
ixpk= 1311, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1125,1126,1127,
igr2= 722, 723,
&end
#
# 45 LYS HE- 45 LYS HD- 3.50 (# 1313:20 Unique 2.31, 2.72 A)
&rst
ixpk= 1313, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 725, 726,
igr2= 722, 723,
&end
#
# 43 THR MG2 45 LYS HD- 5.50 (# 1314:20 Unique 4.04, 5.66 A)
&rst
ixpk= 1314, 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
#
# 53 GLN HA 56 GLN HB+ 4.50 (# 1317:20 Unique 2.40, 3.60 A)
&rst
ixpk= 1317, nxpk= 20, iat= 839, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 876, 877,
&end
#
# 16 GLU HN 0 AMB 20-1:1318 3.50 (# 1318:20 Single Ambig)
&rst
ixpk= 1318, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 245, 246, 245, 246,
&end
#
# 15 GLN HN 0 AMB 20-1:1319 2.80 (# 1319:20 Single Ambig)
&rst
ixpk= 1319, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 245, 246, 245, 246,
&end
#
# 11 GLU HN 0 AMB 20-1:1320 3.50 (# 1320:20 Single Ambig)
&rst
ixpk= 1320, 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 20-2:1321 60 ILE HG1- 5.50 (# 1321:20 Single Ambig)
&rst
ixpk= 1321, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 955, 889, 899,
igr2= 946, 947,
&end
#
# 60 ILE HN 60 ILE HG1- 2.80 (# 1322:20 Unique 2.50, 3.21 A)
&rst
ixpk= 1322, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:1323 0 AMB 20-1:1323 3.50 (# 1323:20 Double Ambig)
&rst
ixpk= 1323, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1245,1246, 938,
igr2= 310, 311, 946, 947,
&end
#
# 0 AMB 20-2:1325 60 ILE HG1- 2.80 (# 1325:20 Single Ambig)
&rst
ixpk= 1325, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 949, 950, 951, 942, 943, 944,
igr2= 946, 947,
&end
#
# 60 ILE HN 60 ILE HG1+ 3.50 (# 1326:20 Unique 2.50, 3.21 A)
&rst
ixpk= 1326, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:1328 0 AMB 20-1:1328 2.80 (# 1328:20 Double Ambig)
&rst
ixpk= 1328, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 949, 950, 951, 942, 943, 944,
igr2= 946, 947, 946, 947,
&end
#
# 0 AMB 20-2:1329 0 AMB 20-1:1329 3.50 (# 1329:20 Double Ambig)
&rst
ixpk= 1329, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 18, 19, 18, 19,
igr2= 722, 723, 722, 723,
&end
#
# 11 GLU HA 0 AMB 20-1:1330 2.80 (# 1330:20 Single Ambig)
&rst
ixpk= 1330, nxpk= 20, iat= 173, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 175, 176, 175, 176,
&end
#
# 11 GLU HN 0 AMB 20-1:1331 3.50 (# 1331:20 Single Ambig)
&rst
ixpk= 1331, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 175, 176, 175, 176,
&end
#
# 56 GLN HA 56 GLN HB+ 3.50 (# 1332:20 Unique 2.38, 2.75 A)
&rst
ixpk= 1332, nxpk= 20, iat= 874, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 876, 877,
&end
#
# 58 LYS HN 56 GLN HB+ 4.50 (# 1333:20 Unique 4.83, 5.18 A)
&rst
ixpk= 1333, nxpk= 20, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 876, 877,
&end
#
# 26 LEU MDX 56 GLN HB+ 3.50 (# 1335:20 Unique 2.25, 3.40 A)
&rst
ixpk= 1335, 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= 876, 877,
&end
#
# 58 LYS HN 56 GLN HB- 4.50 (# 1336:20 Unique 4.83, 5.18 A)
&rst
ixpk= 1336, nxpk= 20, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 876, 877,
&end
#
# 0 AMB 20-2:1337 0 AMB 20-1:1337 2.80 (# 1337:20 Double Ambig)
&rst
ixpk= 1337, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 231, 232, 231, 232, 879, 880,
igr2= 228, 229, 228, 229, 876, 877,
&end
#
# 26 LEU MDY 56 GLN HB- 3.50 (# 1338:20 Unique 2.25, 3.40 A)
&rst
ixpk= 1338, 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= 876, 877,
&end
#
# 49 ASN HN 48 CYS HB+ 5.50 (# 1339:20 Unique 2.02, 3.42 A)
&rst
ixpk= 1339, nxpk= 20, iat= 782, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 775, 776,
&end
#
# 7 VAL MGX 48 CYS HB+ 3.50 (# 1340:20 Unique 2.14, 4.99 A)
&rst
ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 775, 776,
&end
#
# 53 GLN HB+ 48 CYS HB+ 4.50 (# 1342:20 Unique 2.15, 3.62 A)
&rst
ixpk= 1342, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 841, 842,
igr2= 775, 776,
&end
#
# 53 GLN HB- 48 CYS HB+ 4.50 (# 1343:20 Unique 2.15, 3.62 A)
&rst
ixpk= 1343, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 841, 842,
igr2= 775, 776,
&end
#
# 0 AMB 20-2:1344 0 AMB 20-1:1344 4.50 (# 1344:20 Double Ambig)
&rst
ixpk= 1344, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 124, 125, 124, 125,
igr2= 775, 776, 775, 776,
&end
#
# 53 GLN HB- 48 CYS HB- 4.50 (# 1346:20 Unique 2.15, 3.62 A)
&rst
ixpk= 1346, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 841, 842,
igr2= 775, 776,
&end
#
# 7 VAL MGX 48 CYS HB- 3.50 (# 1347:20 Unique 2.14, 4.99 A)
&rst
ixpk= 1347, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 775, 776,
&end
#
# 53 GLN HB+ 48 CYS HB- 4.50 (# 1348:20 Unique 2.15, 3.62 A)
&rst
ixpk= 1348, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 841, 842,
igr2= 775, 776,
&end
#
# 56 GLN HA 56 GLN HB- 2.80 (# 1349:20 Unique 2.38, 2.75 A)
&rst
ixpk= 1349, nxpk= 20, iat= 874, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 876, 877,
&end
#
# 14 GLN HN 14 GLN HB+ 2.80 (# 1350:20 Unique 2.24, 2.98 A)
&rst
ixpk= 1350, nxpk= 20, iat= 224, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 228, 229,
&end
#
# 15 GLN HN 14 GLN HB+ 3.50 (# 1351:20 Unique 2.47, 3.49 A)
&rst
ixpk= 1351, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 228, 229,
&end
#
# 14 GLN HN 14 GLN HB- 3.50 (# 1352:20 Unique 2.24, 2.98 A)
&rst
ixpk= 1352, nxpk= 20, iat= 224, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 228, 229,
&end
#
# 15 GLN HN 14 GLN HB- 4.50 (# 1353:20 Unique 2.47, 3.49 A)
&rst
ixpk= 1353, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 228, 229,
&end
#
# 12 GLN HN 0 AMB 20-1:1354 3.50 (# 1354:20 Single Ambig)
&rst
ixpk= 1354, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 190, 191, 190, 191,
&end
#
# 0 AMB 20-2:1355 0 AMB 20-1:1355 4.50 (# 1355:20 Double Ambig)
&rst
ixpk= 1355, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 127, 128, 127, 128,
igr2= 190, 191, 190, 191,
&end
#
# 9 VAL MGX 0 AMB 20-1:1356 5.50 (# 1356:20 Single Ambig)
&rst
ixpk= 1356, 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= 190, 191, 190, 191,
&end
#
# 12 GLN HN 0 AMB 20-1:1357 4.50 (# 1357:20 Single Ambig)
&rst
ixpk= 1357, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 228, 229, 228, 229, 161, 162,
&end
#
# 23 ASN HD2+ 25 PRO HG+ 5.50 (# 1359:20 Unique 2.17, 4.23 A)
&rst
ixpk= 1359, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 396, 397,
&end
#
# 0 AMB 20-2:1360 0 AMB 20-1:1360 2.80 (# 1360:20 Double Ambig)
&rst
ixpk= 1360, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 158, 159, 158, 159, 226,
igr2= 161, 162, 161, 162, 228, 229,
&end
#
# 25 PRO HD+ 25 PRO HG+ 3.50 (# 1361:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1361, 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 (# 1362:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1362, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 393, 394,
igr2= 396, 397,
&end
#
# 0 AMB 20-2:1363 0 AMB 20-1:1363 3.50 (# 1363:20 Double Ambig)
&rst
ixpk= 1363, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 143,1254,
igr2= 396, 397,1248,1249,
&end
#
# 81 PRO HD- 81 PRO HG+ 3.50 (# 1364:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1364, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1245,1246,
igr2=1248,1249,
&end
#
# 0 AMB 20-2:1365 0 AMB 20-1:1365 3.50 (# 1365:20 Double Ambig)
&rst
ixpk= 1365, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 143,1254,
igr2= 396, 397,1248,1249,
&end
#
# 0 AMB 20-2:1366 0 AMB 20-1:1366 2.80 (# 1366:20 Double Ambig)
&rst
ixpk= 1366, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1245,1246, 402,
igr2=1248,1249, 396, 397,
&end
#
# 23 ASN HD2+ 25 PRO HG- 5.50 (# 1367:20 Unique 2.17, 4.23 A)
&rst
ixpk= 1367, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 396, 397,
&end
#
# 25 PRO HD+ 25 PRO HG- 3.50 (# 1368:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1368, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 393, 394,
igr2= 396, 397,
&end
#
# 78 ILE HN 78 ILE HG1- 3.50 (# 1369:20 Unique 1.78, 3.27 A)
&rst
ixpk= 1369, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1208,1209,
&end
#
# 78 ILE QD1 78 ILE HG1- 2.80 (# 1371:20 Unique 2.29, 2.64 A)
&rst
ixpk= 1371, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1211,1212,1213,
igr2=1208,1209,
&end
#
# 78 ILE HA 78 ILE HG1- 3.50 (# 1372:20 Unique 2.25, 3.37 A)
&rst
ixpk= 1372, nxpk= 20, iat=1200, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1208,1209,
&end
#
# 61 LEU HN 61 LEU HG 3.50 (# 1373:20 Unique 2.28, 2.42 A)
&rst
ixpk= 1373, nxpk= 20, iat= 955, 962, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 61 LEU HA 61 LEU HG 3.50 (# 1374:20 Unique 2.73, 3.13 A)
&rst
ixpk= 1374, nxpk= 20, iat= 957, 962, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1375 61 LEU HG 2.80 (# 1375:20 Single Ambig)
&rst
ixpk= 1375, nxpk= 20, iat= -1, 962, 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
#
# 61 LEU HB- 61 LEU HG 3.50 (# 1376:20 Unique 2.32, 2.76 A)
&rst
ixpk= 1376, nxpk= 20, iat= -1, 962, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 959, 960,
&end
#
# 78 ILE HA 78 ILE HG1+ 3.50 (# 1377:20 Unique 2.25, 3.37 A)
&rst
ixpk= 1377, nxpk= 20, iat=1200, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1208,1209,
&end
#
# 78 ILE QD1 78 ILE HG1+ 2.80 (# 1379:20 Unique 2.29, 2.64 A)
&rst
ixpk= 1379, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1211,1212,1213,
igr2=1208,1209,
&end
#
# 78 ILE HN 78 ILE HG1+ 4.50 (# 1380:20 Unique 1.78, 3.27 A)
&rst
ixpk= 1380, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1208,1209,
&end
#
# 0 AMB 20-2:1381 0 AMB 20-1:1381 3.50 (# 1381:20 Double Ambig)
&rst
ixpk= 1381, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1125,1126,1127,1202,
igr2=1208,1209,1208,1209,
&end
#
# 10 PRO HA 10 PRO HG+ 4.50 (# 1382:20 Unique 2.83, 3.68 A)
&rst
ixpk= 1382, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 161, 162,
&end
#
# 11 GLU HN 10 PRO HG+ 5.50 (# 1383:20 Unique 2.79, 4.23 A)
&rst
ixpk= 1383, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 161, 162,
&end
#
# 81 PRO HB- 81 PRO HG+ 2.80 (# 1384:20 Unique 2.36, 2.63 A)
&rst
ixpk= 1384, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1251,1252,
igr2=1248,1249,
&end
#
# 81 PRO HD+ 81 PRO HG+ 2.80 (# 1385:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1385, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1245,1246,
igr2=1248,1249,
&end
#
# 81 PRO HD- 81 PRO HG- 3.50 (# 1386:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1386, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1245,1246,
igr2=1248,1249,
&end
#
# 81 PRO HB- 81 PRO HG- 2.80 (# 1387:20 Unique 2.36, 2.63 A)
&rst
ixpk= 1387, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1251,1252,
igr2=1248,1249,
&end
#
# 32 ARG HN 32 ARG HG+ 4.50 (# 1388:20 Unique 2.28, 3.28 A)
&rst
ixpk= 1388, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 522, 523,
&end
#
# 32 ARG HA 32 ARG HG+ 3.50 (# 1389:20 Unique 2.46, 2.79 A)
&rst
ixpk= 1389, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 522, 523,
&end
#
# 0 AMB 20-2:1390 0 AMB 20-1:1390 2.80 (# 1390:20 Double Ambig)
&rst
ixpk= 1390, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 525, 526, 525, 526,
igr2= 522, 523, 522, 523,
&end
#
# 32 ARG HN 32 ARG HG- 4.50 (# 1391:20 Unique 2.28, 3.28 A)
&rst
ixpk= 1391, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 522, 523,
&end
#
# 32 ARG HA 32 ARG HG- 3.50 (# 1392:20 Unique 2.46, 2.79 A)
&rst
ixpk= 1392, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 522, 523,
&end
#
# 0 AMB 20-2:1393 61 LEU HG 2.80 (# 1393:20 Single Ambig)
&rst
ixpk= 1393, nxpk= 20, iat= -1, 962, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 959, 960, 940,
&end
#
# 25 PRO HB- 25 PRO HG+ 2.80 (# 1394:20 Unique 2.36, 2.63 A)
&rst
ixpk= 1394, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 399, 400,
igr2= 396, 397,
&end
#
# 28 GLU HN 25 PRO HG- 5.50 (# 1395:20 Unique 5.05, 5.79 A)
&rst
ixpk= 1395, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 396, 397,
&end
#
# 25 PRO HD- 25 PRO HG- 2.80 (# 1396:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1396, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 393, 394,
igr2= 396, 397,
&end
#
# 0 AMB 20-2:1398 0 AMB 20-1:1398 4.50 (# 1398:20 Double Ambig)
&rst
ixpk= 1398, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 117, 849, 850, 849, 850,
igr2= 124, 125, 124, 125, 124, 125,
&end
#
# 0 AMB 20-2:1399 0 AMB 20-1:1399 4.50 (# 1399:20 Double Ambig)
&rst
ixpk= 1399, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 127, 128, 127, 128,
igr2= 124, 125, 124, 125,
&end
#
# 0 AMB 20-2:1401 0 AMB 20-1:1401 2.80 (# 1401:20 Double Ambig)
&rst
ixpk= 1401, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 817, 818, 817, 818, 504, 505, 504, 505,
igr2= 820, 821, 820, 821, 522, 523,
&end
#
# 0 AMB 20-2:1402 0 AMB 20-1:1402 2.80 (# 1402:20 Double Ambig)
&rst
ixpk= 1402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 823, 824, 823, 824, 525, 526,
igr2= 820, 821, 820, 821, 522, 523,
&end
#
# 8 ARG HN 25 PRO HG- 5.50 (# 1403:20 Unique 4.51, 5.78 A)
&rst
ixpk= 1403, nxpk= 20, iat= 117, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 396, 397,
&end
#
# 8 ARG HD- 0 AMB 20-1:1405 4.50 (# 1405:20 Single Ambig)
&rst
ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 127, 128,
igr2= 124, 125, 124, 125,
&end
#
# 0 AMB 20-2:1406 0 AMB 20-1:1406 4.50 (# 1406:20 Double Ambig)
&rst
ixpk= 1406, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 815, 839,
igr2= 820, 821, 820, 821,
&end
#
# 0 AMB 20-2:1407 52 ARG HG- 4.50 (# 1407:20 Single Ambig)
&rst
ixpk= 1407, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 815, 839,
igr2= 820, 821,
&end
#
# 0 AMB 20-2:1408 52 ARG HG- 3.50 (# 1408:20 Single Ambig)
&rst
ixpk= 1408, 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
#
# 64 MET HB- 61 LEU HG 5.50 (# 1409:20 Unique 4.68, 5.88 A)
&rst
ixpk= 1409, nxpk= 20, iat= -1, 962, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1004,1005,
&end
#
# 0 AMB 20-2:1410 0 AMB 20-1:1410 2.80 (# 1410:20 Double Ambig)
&rst
ixpk= 1410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 615, 616, 615, 616,
igr2= 612, 613, 612, 613,
&end
#
# 27 LYS HN 26 LEU HG 5.50 (# 1411:20 Unique 3.56, 3.82 A)
&rst
ixpk= 1411, nxpk= 20, iat= 425, 413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 39 ASP HN 0 AMB 20-1:1412 4.50 (# 1412:20 Single Ambig)
&rst
ixpk= 1412, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 612, 613, 612, 613,
&end
#
# 35 THR HA 0 AMB 20-1:1413 4.50 (# 1413:20 Single Ambig)
&rst
ixpk= 1413, nxpk= 20, iat= 570, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 612, 613, 612, 613,
&end
#
# 0 AMB 20-2:1414 0 AMB 20-1:1414 2.80 (# 1414:20 Double Ambig)
&rst
ixpk= 1414, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 609, 610, 609, 610,
igr2= 612, 613, 612, 613,
&end
#
# 38 PRO HD- 0 AMB 20-1:1415 2.80 (# 1415:20 Single Ambig)
&rst
ixpk= 1415, 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 HN 26 LEU HG 5.50 (# 1416:20 Unique 4.46, 4.49 A)
&rst
ixpk= 1416, nxpk= 20, iat= 406, 413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 LEU HA 26 LEU HG 4.50 (# 1417:20 Unique 3.10, 3.26 A)
&rst
ixpk= 1417, nxpk= 20, iat= 408, 413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 LEU MDY 26 LEU HG 2.80 (# 1418:20 Unique 2.35, 2.66 A)
&rst
ixpk= 1418, nxpk= 20, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 415, 416, 417, 419, 420, 421,
&end
#
# 22 ILE HN 22 ILE HG1- 4.50 (# 1419:20 Unique 1.90, 2.70 A)
&rst
ixpk= 1419, nxpk= 20, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 350, 351,
&end
#
# 22 ILE HA 22 ILE HG1- 5.50 (# 1420:20 Unique 2.67, 3.65 A)
&rst
ixpk= 1420, nxpk= 20, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 350, 351,
&end
#
# 22 ILE HN 22 ILE HG1+ 3.50 (# 1421:20 Unique 1.90, 2.70 A)
&rst
ixpk= 1421, nxpk= 20, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 350, 351,
&end
#
# 22 ILE HA 22 ILE HG1+ 5.50 (# 1422:20 Unique 2.67, 3.65 A)
&rst
ixpk= 1422, 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- 4.50 (# 1423:20 Unique 2.69, 3.42 A)
&rst
ixpk= 1423, nxpk= 20, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 350, 351,
&end
#
# 0 AMB 20-2:1424 0 AMB 20-1:1424 3.50 (# 1424:20 Double Ambig)
&rst
ixpk= 1424, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 344,1208,1209,
igr2= 350, 351,1152,
&end
#
# 0 AMB 20-2:1425 22 ILE HG1- 4.50 (# 1425:20 Single Ambig)
&rst
ixpk= 1425, 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
#
# 5 ILE HA 22 ILE HG1+ 5.50 (# 1426:20 Unique 2.69, 3.42 A)
&rst
ixpk= 1426, nxpk= 20, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 350, 351,
&end
#
# 22 ILE HB 22 ILE HG1+ 3.50 (# 1427:20 Unique 2.34, 2.75 A)
&rst
ixpk= 1427, nxpk= 20, iat= 344, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 350, 351,
&end
#
# 75 LEU HB+ 75 LEU HG 3.50 (# 1428:20 Unique 2.26, 2.66 A)
&rst
ixpk= 1428, nxpk= 20, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1149,1150,
&end
#
# 75 LEU MDY 75 LEU HG 3.50 (# 1429:20 Unique 2.28, 2.65 A)
&rst
ixpk= 1429, nxpk= 20, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1154,1155,1156,1158,1159,1160,
&end
#
# 5 ILE HN 0 AMB 20-1:1430 4.50 (# 1430:20 Single Ambig)
&rst
ixpk= 1430, 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 20-1:1431 3.50 (# 1431:20 Single Ambig)
&rst
ixpk= 1431, nxpk= 20, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 80, 81, 80, 81,
&end
#
# 5 ILE HB 0 AMB 20-1:1432 2.80 (# 1432:20 Single Ambig)
&rst
ixpk= 1432, nxpk= 20, iat= 74, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:1433 0 AMB 20-1:1433 2.80 (# 1433:20 Double Ambig)
&rst
ixpk= 1433, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1= 76, 77, 78, 83, 84, 85, 386, 387, 388,
igr2= 80, 81, 80, 81, 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:1434 0 AMB 20-1:1434 2.80 (# 1434:20 Double Ambig)
&rst
ixpk= 1434, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1154,1155,1156,1158,1159,1160, 353, 354, 355, 346,
347, 348,
igr2=1152, 350, 351,
&end
#
# 33 ILE HB 33 ILE HG1- 3.50 (# 1435:20 Unique 2.47, 2.78 A)
&rst
ixpk= 1435, nxpk= 20, iat= 543, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 549, 550,
&end
#
# 37 VAL HN 33 ILE HG1- 5.50 (# 1436:20 Unique 3.43, 4.60 A)
&rst
ixpk= 1436, nxpk= 20, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 549, 550,
&end
#
# 33 ILE HA 33 ILE HG1- 4.50 (# 1437:20 Unique 2.84, 3.39 A)
&rst
ixpk= 1437, nxpk= 20, iat= 541, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 549, 550,
&end
#
# 33 ILE QG2 33 ILE HG1- 3.50 (# 1438:20 Unique 2.39, 3.17 A)
&rst
ixpk= 1438, 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 20-2:1439 33 ILE HG1- 2.80 (# 1439:20 Single Ambig)
&rst
ixpk= 1439, 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
#
# 37 VAL MGX 33 ILE HG1- 5.50 (# 1440:20 Unique 3.11, 5.42 A)
&rst
ixpk= 1440, 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= 549, 550,
&end
#
# 75 LEU HA 75 LEU MDX 5.50 (# 1441:20 Unique 2.17, 3.86 A)
&rst
ixpk= 1441, nxpk= 20, iat=1147, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 75 LEU HG 75 LEU MDX 2.80 (# 1442:20 Unique 2.28, 2.65 A)
&rst
ixpk= 1442, nxpk= 20, iat=1152, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 33 ILE HA 33 ILE HG1+ 5.50 (# 1443:20 Unique 2.84, 3.39 A)
&rst
ixpk= 1443, nxpk= 20, iat= 541, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 549, 550,
&end
#
# 33 ILE HB 33 ILE HG1+ 3.50 (# 1444:20 Unique 2.47, 2.78 A)
&rst
ixpk= 1444, nxpk= 20, iat= 543, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 549, 550,
&end
#
# 33 ILE QG2 33 ILE HG1+ 3.50 (# 1445:20 Unique 2.39, 3.17 A)
&rst
ixpk= 1445, 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 20-2:1446 0 AMB 20-1:1446 2.80 (# 1446:20 Double Ambig)
&rst
ixpk= 1446, 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
#
# 12 GLN HE2- 75 LEU MDX 5.50 (# 1448:20 Unique 1.92, 4.43 A)
&rst
ixpk= 1448, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 198, 199,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 0 AMB 20-2:1449 75 LEU MDX 5.50 (# 1449:20 Single Ambig)
&rst
ixpk= 1449, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 190, 191, 190, 191,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 75 LEU HB+ 75 LEU MDX 3.50 (# 1450:20 Unique 2.27, 3.39 A)
&rst
ixpk= 1450, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1149,1150,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 17 HIS HA 75 LEU MDX 5.50 (# 1453:20 Unique 2.36, 4.56 A)
&rst
ixpk= 1453, nxpk= 20, iat= 275, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 0 AMB 20-2:1454 75 LEU MDX 3.50 (# 1454:20 Single Ambig)
&rst
ixpk= 1454, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 265, 266,1208,1209, 262, 263,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 26 LEU HG 26 LEU MDX 2.80 (# 1455:20 Unique 2.35, 2.66 A)
&rst
ixpk= 1455, 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
#
# 24 ILE HN 24 ILE HG1- 5.50 (# 1456:20 Unique 2.94, 3.49 A)
&rst
ixpk= 1456, nxpk= 20, iat= 373, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 383, 384,
&end
#
# 24 ILE HA 24 ILE HG1- 4.50 (# 1457:20 Unique 2.50, 3.01 A)
&rst
ixpk= 1457, nxpk= 20, iat= 375, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 383, 384,
&end
#
# 0 AMB 20-2:1458 24 ILE HG1- 3.50 (# 1458:20 Single Ambig)
&rst
ixpk= 1458, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 377, 350, 351,
igr2= 383, 384,
&end
#
# 0 AMB 20-2:1459 24 ILE HG1- 2.80 (# 1459:20 Single Ambig)
&rst
ixpk= 1459, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 386, 387, 388, 76, 77, 78, 379, 380, 381, 83,
84, 85,
igr2= 383, 384,
&end
#
# 26 LEU HN 26 LEU MDX 5.50 (# 1460:20 Unique 4.44, 5.08 A)
&rst
ixpk= 1460, 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
#
# 53 GLN HA 26 LEU MDX 4.50 (# 1461:20 Unique 2.35, 4.57 A)
&rst
ixpk= 1461, nxpk= 20, iat= 839, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 20-2:1462 26 LEU MDX 4.50 (# 1462:20 Single Ambig)
&rst
ixpk= 1462, 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
#
# 53 GLN HG+ 26 LEU MDX 4.50 (# 1463:20 Unique 2.81, 6.25 A)
&rst
ixpk= 1463, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 844, 845,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 20-2:1464 26 LEU MDX 2.80 (# 1464:20 Single Ambig)
&rst
ixpk= 1464, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 841, 842, 876, 877, 879, 880,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 56 GLN HB- 26 LEU MDX 3.50 (# 1465:20 Unique 2.25, 3.40 A)
&rst
ixpk= 1465, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 876, 877,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 20-2:1466 26 LEU MDX 2.80 (# 1466:20 Single Ambig)
&rst
ixpk= 1466, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 841, 842, 410, 411,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 20-2:1467 26 LEU MDX 3.50 (# 1467:20 Single Ambig)
&rst
ixpk= 1467, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 893, 894, 895, 410, 411,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 24 ILE HA 24 ILE HG1+ 4.50 (# 1468:20 Unique 2.50, 3.01 A)
&rst
ixpk= 1468, nxpk= 20, iat= 375, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 383, 384,
&end
#
# 0 AMB 20-2:1469 0 AMB 20-1:1469 4.50 (# 1469:20 Double Ambig)
&rst
ixpk= 1469, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 519, 520, 344,
igr2= 383, 384, 383, 384,
&end
#
# 0 AMB 20-2:1470 0 AMB 20-1:1470 3.50 (# 1470:20 Double Ambig)
&rst
ixpk= 1470, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 377, 350, 351,
igr2= 383, 384, 383, 384,
&end
#
# 0 AMB 20-2:1471 0 AMB 20-1:1471 2.80 (# 1471:20 Double Ambig)
&rst
ixpk= 1471, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.99, r4= 6.74,
igr1= 386, 387, 388, 76, 77, 78, 379, 380, 381, 83,
84, 85,
igr2= 383, 384, 383, 384, 383, 384, 383, 384,
&end
#
# 30 LYS HN 30 LYS HG+ 4.50 (# 1474:20 Unique 2.05, 3.52 A)
&rst
ixpk= 1474, nxpk= 20, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 485, 486,
&end
#
# 30 LYS HA 30 LYS HG+ 4.50 (# 1475:20 Unique 2.25, 2.87 A)
&rst
ixpk= 1475, nxpk= 20, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 485, 486,
&end
#
# 0 AMB 20-2:1476 0 AMB 20-1:1476 4.50 (# 1476:20 Double Ambig)
&rst
ixpk= 1476, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 491, 492, 491, 492,1007,1008,
igr2= 485, 486, 485, 486, 485, 486,
&end
#
# 0 AMB 20-2:1477 0 AMB 20-1:1477 5.50 (# 1477:20 Double Ambig)
&rst
ixpk= 1477, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1=1011,1012,1013, 507, 508, 507, 508,
igr2= 485, 486, 485, 486, 485, 486,
&end
#
# 30 LYS HA 30 LYS HG- 4.50 (# 1478:20 Unique 2.25, 2.87 A)
&rst
ixpk= 1478, nxpk= 20, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 485, 486,
&end
#
# 40 LYS HN 40 LYS HG+ 4.50 (# 1479:20 Unique 2.06, 2.84 A)
&rst
ixpk= 1479, 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 (# 1480:20 Unique 2.49, 3.53 A)
&rst
ixpk= 1480, nxpk= 20, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 641, 642,
&end
#
# 43 THR MG2 45 LYS HG+ 4.50 (# 1481:20 Unique 2.29, 4.10 A)
&rst
ixpk= 1481, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 688, 689, 690,
igr2= 719, 720,
&end
#
# 40 LYS HN 40 LYS HG- 4.50 (# 1482:20 Unique 2.06, 2.84 A)
&rst
ixpk= 1482, 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 (# 1483:20 Unique 2.49, 3.53 A)
&rst
ixpk= 1483, nxpk= 20, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 641, 642,
&end
#
# 40 LYS HB- 40 LYS HG- 3.50 (# 1484:20 Unique 2.22, 2.75 A)
&rst
ixpk= 1484, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 638, 639,
igr2= 641, 642,
&end
#
# 60 ILE HG1+ 30 LYS HG+ 4.50 (# 1485:20 Unique 3.17, 5.48 A)
&rst
ixpk= 1485, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 946, 947,
igr2= 485, 486,
&end
#
# 0 AMB 20-2:1486 0 AMB 20-1:1486 3.50 (# 1486:20 Double Ambig)
&rst
ixpk= 1486, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 647, 648, 647, 648,
igr2= 641, 642, 641, 642,
&end
#
# 40 LYS HB+ 40 LYS HG+ 3.50 (# 1487:20 Unique 2.22, 2.75 A)
&rst
ixpk= 1487, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 638, 639,
igr2= 641, 642,
&end
#
# 45 LYS HN 45 LYS HG+ 5.50 (# 1488:20 Unique 2.68, 3.58 A)
&rst
ixpk= 1488, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 719, 720,
&end
#
# 0 AMB 20-2:1489 40 LYS HG- 4.50 (# 1489:20 Single Ambig)
&rst
ixpk= 1489, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 647, 648, 647, 648,
igr2= 641, 642,
&end
#
# 40 LYS HB+ 40 LYS HG- 3.50 (# 1490:20 Unique 2.22, 2.75 A)
&rst
ixpk= 1490, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 638, 639,
igr2= 641, 642,
&end
#
# 0 AMB 20-2:1491 0 AMB 20-1:1491 4.50 (# 1491:20 Double Ambig)
&rst
ixpk= 1491, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 942, 943, 944, 468, 469, 470, 472, 473, 474,
igr2= 485, 486, 485, 486,
&end
#
# 30 LYS HN 30 LYS HG- 4.50 (# 1492:20 Unique 2.05, 3.52 A)
&rst
ixpk= 1492, nxpk= 20, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 485, 486,
&end
#
# 45 LYS HE+ 45 LYS HG+ 4.50 (# 1493:20 Unique 2.38, 2.94 A)
&rst
ixpk= 1493, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 725, 726,
igr2= 719, 720,
&end
#
# 70 GLU HB- 45 LYS HG+ 3.50 (# 1494:20 Unique 2.27, 3.98 A)
&rst
ixpk= 1494, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1096,1097,
igr2= 719, 720,
&end
#
# 45 LYS HA 45 LYS HG- 4.50 (# 1495:20 Unique 2.39, 2.72 A)
&rst
ixpk= 1495, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 719, 720,
&end
#
# 45 LYS HN 45 LYS HG- 4.50 (# 1496:20 Unique 2.68, 3.58 A)
&rst
ixpk= 1496, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 719, 720,
&end
#
# 0 AMB 20-2:1497 0 AMB 20-1:1497 3.50 (# 1497:20 Double Ambig)
&rst
ixpk= 1497, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1= 725, 726,1004,1005,
igr2= 719, 720, 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:1498 0 AMB 20-1:1498 3.50 (# 1498:20 Double Ambig)
&rst
ixpk= 1498, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 545, 546, 547, 688, 689, 690,
igr2= 964, 965, 966, 968, 969, 970, 719, 720,
&end
#
# 0 AMB 20-2:1499 61 LEU MDY 4.50 (# 1499:20 Single Ambig)
&rst
ixpk= 1499, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 955, 899,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:1500 0 AMB 20-1:1500 2.80 (# 1500:20 Double Ambig)
&rst
ixpk= 1500, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1=1096,1097, 959, 960, 543, 18, 19, 18, 19,
igr2= 719, 720, 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:1501 0 AMB 20-1:1501 4.50 (# 1501:20 Double Ambig)
&rst
ixpk= 1501, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 893, 894, 895,1125,1126,1127,
igr2= 964, 965, 966, 968, 969, 970, 719, 720,
&end
#
# 27 LYS HN 0 AMB 20-1:1502 3.50 (# 1502:20 Single Ambig)
&rst
ixpk= 1502, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 432, 433, 432, 433,
&end
#
# 27 LYS HA 0 AMB 20-1:1503 4.50 (# 1503:20 Single Ambig)
&rst
ixpk= 1503, nxpk= 20, iat= 427, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 432, 433, 432, 433,
&end
#
# 0 AMB 20-2:1504 0 AMB 20-1:1504 4.50 (# 1504:20 Double Ambig)
&rst
ixpk= 1504, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 447,1280,
igr2= 432, 433, 432, 433,1303,1304,1303,1304,
&end
#
# 26 LEU MDY 0 AMB 20-1:1505 3.50 (# 1505:20 Single Ambig)
&rst
ixpk= 1505, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 432, 433, 432, 433,
&end
#
# 0 AMB 20-2:1506 58 LYS HG- 3.50 (# 1506:20 Single Ambig)
&rst
ixpk= 1506, 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= 906, 907,
&end
#
# 61 LEU MDY 58 LYS HG- 5.50 (# 1507:20 Unique 4.38, 7.56 A)
&rst
ixpk= 1507, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 964, 965, 966, 968, 969, 970,
igr2= 906, 907,
&end
#
# 61 LEU HA 61 LEU MDY 4.50 (# 1508:20 Unique 2.15, 3.75 A)
&rst
ixpk= 1508, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:1509 61 LEU MDY 5.50 (# 1509:20 Single Ambig)
&rst
ixpk= 1509, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 901, 480,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:1510 61 LEU MDY 2.80 (# 1510:20 Single Ambig)
&rst
ixpk= 1510, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 962, 638, 639,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:1511 61 LEU MDY 3.50 (# 1511:20 Single Ambig)
&rst
ixpk= 1511, 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 20-2:1512 0 AMB 20-1:1512 2.80 (# 1512:20 Double Ambig)
&rst
ixpk= 1512, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.82, r4= 7.57,
igr1= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
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 20-2:1513 0 AMB 20-1:1513 3.50 (# 1513:20 Double Ambig)
&rst
ixpk= 1513, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.01, r4= 8.76,
igr1=1309,1310,1309,1310,1309,1310, 438, 439, 438, 439,
438, 439,
igr2=1303,1304,1303,1304,1303,1304, 432, 433, 432, 433,
432, 433,
&end
#
# 0 AMB 20-2:1514 0 AMB 20-1:1514 2.80 (# 1514:20 Double Ambig)
&rst
ixpk= 1514, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1=1300,1301,1300,1301, 429, 430, 429, 430,
igr2=1303,1304,1303,1304, 432, 433, 432, 433,
&end
#
# 58 LYS HD+ 58 LYS HG+ 2.80 (# 1515:20 Unique 2.29, 2.77 A)
&rst
ixpk= 1515, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 909, 910,
igr2= 906, 907,
&end
#
# 84 LYS HN 0 AMB 20-1:1516 3.50 (# 1516:20 Single Ambig)
&rst
ixpk= 1516, nxpk= 20, iat=1296, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1303,1304,1303,1304,
&end
#
# 84 LYS HA 0 AMB 20-1:1517 3.50 (# 1517:20 Single Ambig)
&rst
ixpk= 1517, 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 20-2:1519 0 AMB 20-1:1519 4.50 (# 1519:20 Double Ambig)
&rst
ixpk= 1519, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1271,1272,1007,1008,
igr2=1265,1266, 485, 486,
&end
#
# 82 LYS HN 82 LYS HG+ 4.50 (# 1520:20 Unique 2.86, 3.74 A)
&rst
ixpk= 1520, nxpk= 20, iat=1258, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1265,1266,
&end
#
# 18 VAL HA 82 LYS HG+ 5.50 (# 1521:20 Unique 2.12, 2.81 A)
&rst
ixpk= 1521, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1265,1266,
&end
#
# 58 LYS HN 58 LYS HG+ 5.50 (# 1523:20 Unique 4.44, 4.58 A)
&rst
ixpk= 1523, nxpk= 20, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 906, 907,
&end
#
# 58 LYS HA 58 LYS HG+ 4.50 (# 1524:20 Unique 2.32, 2.97 A)
&rst
ixpk= 1524, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 906, 907,
&end
#
# 0 AMB 20-2:1525 0 AMB 20-1:1525 3.50 (# 1525:20 Double Ambig)
&rst
ixpk= 1525, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 912, 913, 912, 913,
igr2= 906, 907, 906, 907,
&end
#
# 58 LYS HB+ 58 LYS HG+ 3.50 (# 1526:20 Unique 2.27, 2.65 A)
&rst
ixpk= 1526, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 903, 904,
igr2= 906, 907,
&end
#
# 69 VAL HB 58 LYS HG+ 3.50 (# 1527:20 Unique 2.24, 3.49 A)
&rst
ixpk= 1527, nxpk= 20, iat=1080, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 906, 907,
&end
#
# 0 AMB 20-2:1528 58 LYS HG- 3.50 (# 1528:20 Single Ambig)
&rst
ixpk= 1528, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 912, 913, 912, 913,
igr2= 906, 907,
&end
#
# 58 LYS HB+ 58 LYS HG- 3.50 (# 1529:20 Unique 2.27, 2.65 A)
&rst
ixpk= 1529, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 903, 904,
igr2= 906, 907,
&end
#
# 58 LYS HD+ 58 LYS HG- 3.50 (# 1530:20 Unique 2.29, 2.77 A)
&rst
ixpk= 1530, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 909, 910,
igr2= 906, 907,
&end
#
# 58 LYS HA 58 LYS HG- 4.50 (# 1531:20 Unique 2.32, 2.97 A)
&rst
ixpk= 1531, nxpk= 20, iat= 901, -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 (# 1532:20 Unique 2.24, 3.49 A)
&rst
ixpk= 1532, nxpk= 20, iat=1080, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 906, 907,
&end
#
# 0 AMB 20-2:1533 82 LYS HG- 4.50 (# 1533:20 Single Ambig)
&rst
ixpk= 1533, 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=1265,1266,
&end
#
# 82 LYS HE- 82 LYS HG- 4.50 (# 1535:20 Unique 2.23, 3.12 A)
&rst
ixpk= 1535, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1271,1272,
igr2=1265,1266,
&end
#
# 85 GLY HN 0 AMB 20-1:1536 5.50 (# 1536:20 Single Ambig)
&rst
ixpk= 1536, nxpk= 20, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1303,1304,1303,1304,
&end
#
# 82 LYS HN 82 LYS HG- 5.50 (# 1537:20 Unique 2.86, 3.74 A)
&rst
ixpk= 1537, nxpk= 20, iat=1258, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1265,1266,
&end
#
# 82 LYS HE+ 82 LYS HG- 5.50 (# 1538:20 Unique 2.23, 3.12 A)
&rst
ixpk= 1538, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1271,1272,
igr2=1265,1266,
&end
#
# 0 AMB 20-2:1540 61 LEU MDX 5.50 (# 1540:20 Single Ambig)
&rst
ixpk= 1540, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 480, 891,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 64 MET HB- 61 LEU MDX 4.50 (# 1541:20 Unique 3.11, 5.76 A)
&rst
ixpk= 1541, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1004,1005,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 64 MET ME 61 LEU MDX 5.50 (# 1542:20 Unique 2.21, 6.97 A)
&rst
ixpk= 1542, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1011,1012,1013,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:1543 61 LEU MDX 3.50 (# 1543:20 Single Ambig)
&rst
ixpk= 1543, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 959, 960, 543,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:1544 61 LEU MDX 3.50 (# 1544:20 Single Ambig)
&rst
ixpk= 1544, 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
#
# 61 LEU HN 61 LEU MDX 4.50 (# 1545:20 Unique 2.76, 4.37 A)
&rst
ixpk= 1545, nxpk= 20, iat= 955, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 29 VAL HN 61 LEU MDX 5.50 (# 1546:20 Unique 6.34, 7.81 A)
&rst
ixpk= 1546, nxpk= 20, iat= 462, -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 3.50 (# 1548:20 Unique 2.15, 3.75 A)
&rst
ixpk= 1548, 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
#
# 0 AMB 20-2:1549 61 LEU MDX 3.50 (# 1549:20 Single Ambig)
&rst
ixpk= 1549, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 962, 638, 639,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 29 VAL MGY 61 LEU MDX 2.80 (# 1550:20 Unique 2.16, 5.01 A)
&rst
ixpk= 1550, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 468, 469, 470, 472, 473, 474,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:1551 61 LEU MDX 2.80 (# 1551:20 Single Ambig)
&rst
ixpk= 1551, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1= 468, 469, 470, 472, 473, 474, 702, 703, 704, 706,
707, 708,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 30 LYS HN 29 VAL MGY 4.50 (# 1552:20 Unique 2.30, 4.24 A)
&rst
ixpk= 1552, 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
#
# 26 LEU HN 29 VAL MGY 5.50 (# 1553:20 Unique 5.08, 6.33 A)
&rst
ixpk= 1553, nxpk= 20, iat= 406, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:1554 29 VAL MGY 5.50 (# 1554:20 Single Ambig)
&rst
ixpk= 1554, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 957, 427, 375,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:1555 29 VAL MGY 3.50 (# 1555:20 Single Ambig)
&rst
ixpk= 1555, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 543, 940, 482, 483,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL HN 29 VAL MGY 3.50 (# 1556:20 Unique 2.31, 3.90 A)
&rst
ixpk= 1556, 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 20-2:1557 29 VAL MGY 2.80 (# 1557:20 Single Ambig)
&rst
ixpk= 1557, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 891, 408,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL HA 29 VAL MGY 2.80 (# 1558:20 Unique 2.37, 3.46 A)
&rst
ixpk= 1558, nxpk= 20, iat= 464, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 7 VAL HB 29 VAL MGY 4.50 (# 1559:20 Unique 3.43, 4.77 A)
&rst
ixpk= 1559, nxpk= 20, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL HB 29 VAL MGY 2.80 (# 1560:20 Unique 2.34, 2.64 A)
&rst
ixpk= 1560, nxpk= 20, iat= 466, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 24 ILE QG2 29 VAL MGY 2.80 (# 1561:20 Unique 2.30, 5.28 A)
&rst
ixpk= 1561, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 379, 380, 381,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 17 HIS HA 75 LEU MDY 3.50 (# 1562:20 Unique 2.36, 4.56 A)
&rst
ixpk= 1562, nxpk= 20, iat= 275, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 18 VAL HN 75 LEU MDY 5.50 (# 1563:20 Unique 1.88, 4.27 A)
&rst
ixpk= 1563, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 12 GLN HE2- 75 LEU MDY 5.50 (# 1564:20 Unique 1.92, 4.43 A)
&rst
ixpk= 1564, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 198, 199,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 75 LEU HA 75 LEU MDY 3.50 (# 1566:20 Unique 2.17, 3.86 A)
&rst
ixpk= 1566, nxpk= 20, iat=1147, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 82 LYS HE- 75 LEU MDY 3.50 (# 1567:20 Unique 2.12, 4.82 A)
&rst
ixpk= 1567, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1271,1272,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 75 LEU HB+ 75 LEU MDY 4.50 (# 1568:20 Unique 2.27, 3.39 A)
&rst
ixpk= 1568, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1149,1150,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 0 AMB 20-2:1569 75 LEU MDY 3.50 (# 1569:20 Single Ambig)
&rst
ixpk= 1569, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 265, 266,1208,1209, 262, 263,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 0 AMB 20-2:1570 75 LEU MDY 2.80 (# 1570:20 Single Ambig)
&rst
ixpk= 1570, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1152,1202,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 18 VAL MGY 75 LEU MDY 2.80 (# 1572:20 Unique 2.21, 5.59 A)
&rst
ixpk= 1572, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 296, 297, 298, 300, 301, 302,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 78 ILE HN 75 LEU MDY 4.50 (# 1573:20 Unique 3.95, 6.32 A)
&rst
ixpk= 1573, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 82 LYS HE+ 75 LEU MDY 4.50 (# 1574:20 Unique 2.12, 4.82 A)
&rst
ixpk= 1574, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1271,1272,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 76 LYS HA 0 AMB 20-1:1576 4.50 (# 1576:20 Single Ambig)
&rst
ixpk= 1576, nxpk= 20, iat=1166, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1171,1172,1171,1172,
&end
#
# 76 LYS HN 0 AMB 20-1:1577 3.50 (# 1577:20 Single Ambig)
&rst
ixpk= 1577, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1171,1172,1171,1172,
&end
#
# 77 ASP HN 0 AMB 20-1:1578 4.50 (# 1578:20 Single Ambig)
&rst
ixpk= 1578, nxpk= 20, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1171,1172,1171,1172,
&end
#
# 0 AMB 20-2:1579 0 AMB 20-1:1579 3.50 (# 1579:20 Double Ambig)
&rst
ixpk= 1579, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1177,1178,1177,1178,1177,1178,
igr2=1171,1172,1171,1172,1171,1172,
&end
#
# 0 AMB 20-2:1580 0 AMB 20-1:1580 2.80 (# 1580:20 Double Ambig)
&rst
ixpk= 1580, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1168,1169,1168,1169,
igr2=1171,1172,1171,1172,
&end
#
# 0 AMB 20-2:1581 26 LEU MDY 2.80 (# 1581:20 Single Ambig)
&rst
ixpk= 1581, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 408, 891,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 20-2:1582 26 LEU MDY 3.50 (# 1582:20 Single Ambig)
&rst
ixpk= 1582, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 841, 842, 876, 877, 879, 880, 844, 845,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 56 GLN HB- 26 LEU MDY 3.50 (# 1583:20 Unique 2.25, 3.40 A)
&rst
ixpk= 1583, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 876, 877,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 26 LEU HG 26 LEU MDY 2.80 (# 1584:20 Unique 2.35, 2.66 A)
&rst
ixpk= 1584, 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 20-2:1585 26 LEU MDY 2.80 (# 1585:20 Single Ambig)
&rst
ixpk= 1585, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1= 893, 894, 895, 410, 411, 432, 433, 432, 433,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 58 LYS HN 26 LEU MDY 4.50 (# 1586:20 Unique 5.03, 6.60 A)
&rst
ixpk= 1586, nxpk= 20, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 26 LEU HN 26 LEU MDY 5.50 (# 1587:20 Unique 4.44, 5.08 A)
&rst
ixpk= 1587, 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
#
# 0 AMB 20-2:1588 0 AMB 20-1:1588 4.50 (# 1588:20 Double Ambig)
&rst
ixpk= 1588, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
igr1=1047, 957, 978, 979, 978, 979,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 61 LEU HB- 0 AMB 20-1:1589 2.80 (# 1589:20 Single Ambig)
&rst
ixpk= 1589, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 959, 960,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 69 VAL HN 0 AMB 20-1:1590 3.50 (# 1590:20 Single Ambig)
&rst
ixpk= 1590, nxpk= 20, iat=1076, -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 20-2:1591 0 AMB 20-1:1591 3.50 (# 1591:20 Double Ambig)
&rst
ixpk= 1591, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1028,1029,1028,1029,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 66 TYR HB- 0 AMB 20-1:1592 3.50 (# 1592:20 Single Ambig)
&rst
ixpk= 1592, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1028,1029,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 5 ILE HN 46 VAL MGY 5.50 (# 1593:20 Unique 3.74, 5.75 A)
&rst
ixpk= 1593, 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
#
# 0 AMB 20-2:1594 46 VAL MGY 3.50 (# 1594:20 Single Ambig)
&rst
ixpk= 1594, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 734, 899,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 46 VAL HA 46 VAL MGY 3.50 (# 1595:20 Unique 2.37, 3.49 A)
&rst
ixpk= 1595, 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
#
# 71 ASN HA 46 VAL MGY 5.50 (# 1596:20 Unique 2.14, 4.40 A)
&rst
ixpk= 1596, nxpk= 20, iat=1109, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:1597 46 VAL MGY 4.50 (# 1597:20 Single Ambig)
&rst
ixpk= 1597, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 858, 859, 901,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:1598 46 VAL MGY 2.80 (# 1598:20 Single Ambig)
&rst
ixpk= 1598, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 74, 738,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 57 ALA MB 46 VAL MGY 4.50 (# 1599:20 Unique 2.50, 4.52 A)
&rst
ixpk= 1599, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 893, 894, 895,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:1600 0 AMB 20-1:1600 2.80 (# 1600:20 Double Ambig)
&rst
ixpk= 1600, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
igr1= 552, 553, 554, 964, 965, 966, 968, 969, 970,
igr2= 598, 599, 600, 602, 603, 604, 740, 741, 742, 744,
745, 746,
&end
#
# 18 VAL HN 18 VAL MGY 4.50 (# 1601:20 Unique 2.14, 3.88 A)
&rst
ixpk= 1601, 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
#
# 82 LYS HE- 18 VAL MGY 5.50 (# 1602:20 Unique 2.22, 5.05 A)
&rst
ixpk= 1602, 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
#
# 18 VAL HA 18 VAL MGY 3.50 (# 1604:20 Unique 2.28, 3.17 A)
&rst
ixpk= 1604, 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 20-2:1605 18 VAL MGY 2.80 (# 1605:20 Single Ambig)
&rst
ixpk= 1605, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1234,1235, 294,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 75 LEU MDY 18 VAL MGY 2.80 (# 1606:20 Unique 2.21, 5.59 A)
&rst
ixpk= 1606, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1154,1155,1156,1158,1159,1160,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 68 HIS HN 0 AMB 20-1:1608 5.50 (# 1608:20 Single Ambig)
&rst
ixpk= 1608, nxpk= 20, iat=1059, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 69 VAL HA 0 AMB 20-1:1610 3.50 (# 1610:20 Single Ambig)
&rst
ixpk= 1610, 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 20-2:1611 0 AMB 20-1:1611 4.50 (# 1611:20 Double Ambig)
&rst
ixpk= 1611, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1026, 976,1094,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 0 AMB 20-2:1612 0 AMB 20-1:1612 2.80 (# 1612:20 Double Ambig)
&rst
ixpk= 1612, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 700,1080,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 61 LEU MDY 0 AMB 20-1:1613 3.50 (# 1613:20 Single Ambig)
&rst
ixpk= 1613, 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
#
# 0 AMB 20-2:1614 18 VAL MGY 4.50 (# 1614:20 Single Ambig)
&rst
ixpk= 1614, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 334, 335, 336,1208,1209,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 19 GLN HN 18 VAL MGY 5.50 (# 1615:20 Unique 2.82, 4.25 A)
&rst
ixpk= 1615, 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
#
# 78 ILE HN 18 VAL MGY 5.50 (# 1616:20 Unique 4.27, 6.45 A)
&rst
ixpk= 1616, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:1618 18 VAL MGY 4.50 (# 1618:20 Single Ambig)
&rst
ixpk= 1618, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
igr1=1154,1155,1156,1158,1159,1160,1208,1209,1265,1266,
1231,1232,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 37 VAL HN 37 VAL MGY 5.50 (# 1619:20 Unique 2.81, 4.27 A)
&rst
ixpk= 1619, 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
#
# 39 ASP HN 37 VAL MGY 4.50 (# 1620:20 Unique 2.54, 5.27 A)
&rst
ixpk= 1620, 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
#
# 42 ASP HN 37 VAL MGY 5.50 (# 1621:20 Unique 3.85, 6.04 A)
&rst
ixpk= 1621, 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
#
# 37 VAL HA 37 VAL MGY 3.50 (# 1627:20 Unique 2.37, 3.14 A)
&rst
ixpk= 1627, 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
#
# 38 PRO HD+ 37 VAL MGY 4.50 (# 1628:20 Unique 3.17, 5.30 A)
&rst
ixpk= 1628, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 609, 610,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 0 AMB 20-2:1629 37 VAL MGY 3.50 (# 1629:20 Single Ambig)
&rst
ixpk= 1629, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 674, 675, 33, 34,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 42 ASP HB- 37 VAL MGY 4.50 (# 1630:20 Unique 2.34, 4.96 A)
&rst
ixpk= 1630, 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 (# 1631:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1631, 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
#
# 45 LYS HN 44 VAL MGX 3.50 (# 1633:20 Unique 2.60, 4.39 A)
&rst
ixpk= 1633, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 44 VAL HA 44 VAL MGX 3.50 (# 1634:20 Unique 2.42, 3.16 A)
&rst
ixpk= 1634, 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 20-2:1635 44 VAL MGX 5.50 (# 1635:20 Single Ambig)
&rst
ixpk= 1635, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 33, 34, 674, 675,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1636 44 VAL MGX 3.50 (# 1636:20 Single Ambig)
&rst
ixpk= 1636, 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 20-2:1637 44 VAL MGX 5.50 (# 1637:20 Single Ambig)
&rst
ixpk= 1637, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 549, 550, 638, 639, 959, 960,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 3 HIS HB- 44 VAL MGX 5.50 (# 1638:20 Unique 2.51, 5.10 A)
&rst
ixpk= 1638, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 33, 34,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1639 44 VAL MGX 2.80 (# 1639:20 Single Ambig)
&rst
ixpk= 1639, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 700, 596,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 37 VAL MGX 44 VAL MGX 5.50 (# 1640:20 Unique 2.26, 5.19 A)
&rst
ixpk= 1640, 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
#
# 9 VAL HN 9 VAL MGY 3.50 (# 1641:20 Unique 1.90, 3.00 A)
&rst
ixpk= 1641, 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 2.80 (# 1642:20 Unique 2.39, 3.49 A)
&rst
ixpk= 1642, nxpk= 20, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 0 AMB 20-2:1643 9 VAL MGY 4.50 (# 1643:20 Single Ambig)
&rst
ixpk= 1643, 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
#
# 9 VAL HB 9 VAL MGY 2.80 (# 1644:20 Unique 2.35, 2.66 A)
&rst
ixpk= 1644, 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
#
# 67 THR HN 67 THR MG2 3.50 (# 1645:20 Unique 2.17, 3.69 A)
&rst
ixpk= 1645, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1051,1052,1053,
&end
#
# 66 TYR HA 67 THR MG2 5.50 (# 1647:20 Unique 3.40, 5.03 A)
&rst
ixpk= 1647, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1051,1052,1053,
&end
#
# 0 AMB 20-2:1648 67 THR MG2 2.80 (# 1648:20 Single Ambig)
&rst
ixpk= 1648, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1047,1049,
igr2=1051,1052,1053,
&end
#
# 69 VAL HA 0 AMB 20-1:1649 3.50 (# 1649:20 Single Ambig)
&rst
ixpk= 1649, 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 20-2:1650 0 AMB 20-1:1650 4.50 (# 1650:20 Double Ambig)
&rst
ixpk= 1650, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 186, 568,
igr2= 147, 148, 149, 151, 152, 153, 574, 575, 576,
&end
#
# 0 AMB 20-2:1651 0 AMB 20-1:1651 5.50 (# 1651:20 Double Ambig)
&rst
ixpk= 1651, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.53, r4=10.28,
igr1= 582, 368, 369,
igr2= 574, 575, 576, 147, 148, 149, 151, 152, 153,
&end
#
# 12 GLN HG- 9 VAL MGY 5.50 (# 1652:20 Unique 3.78, 6.50 A)
&rst
ixpk= 1652, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 193, 194,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 45 LYS HG+ 43 THR MG2 3.50 (# 1653:20 Unique 2.29, 4.10 A)
&rst
ixpk= 1653, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 719, 720,
igr2= 688, 689, 690,
&end
#
# 44 VAL HN 44 VAL MGY 3.50 (# 1654:20 Unique 2.18, 4.18 A)
&rst
ixpk= 1654, nxpk= 20, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1656 0 AMB 20-1:1656 5.50 (# 1656:20 Double Ambig)
&rst
ixpk= 1656, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.51, r4=12.26,
igr1= 957, 978, 979, 978, 979, 978, 979,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 42 ASP HB+ 44 VAL MGY 4.50 (# 1657:20 Unique 3.08, 7.07 A)
&rst
ixpk= 1657, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 674, 675,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1658 44 VAL MGY 2.80 (# 1658:20 Single Ambig)
&rst
ixpk= 1658, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 700, 596,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 70 GLU HN 0 AMB 20-1:1659 4.50 (# 1659:20 Single Ambig)
&rst
ixpk= 1659, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 46 VAL HN 44 VAL MGY 5.50 (# 1660:20 Unique 3.33, 6.05 A)
&rst
ixpk= 1660, 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
#
# 0 AMB 20-2:1661 44 VAL MGY 4.50 (# 1661:20 Single Ambig)
&rst
ixpk= 1661, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 901, 541,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1664 0 AMB 20-1:1664 3.50 (# 1664:20 Double Ambig)
&rst
ixpk= 1664, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 903, 904, 909, 910,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 0 AMB 20-2:1665 0 AMB 20-1:1665 3.50 (# 1665:20 Double Ambig)
&rst
ixpk= 1665, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 959, 960, 906, 907,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 35 THR HB 35 THR MG2 2.80 (# 1668:20 Unique 2.43, 2.66 A)
&rst
ixpk= 1668, nxpk= 20, iat= 572, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 574, 575, 576,
&end
#
# 0 AMB 20-2:1669 44 VAL MGY 5.50 (# 1669:20 Single Ambig)
&rst
ixpk= 1669, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 29, 682,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 44 VAL HA 44 VAL MGY 3.50 (# 1672:20 Unique 2.42, 3.16 A)
&rst
ixpk= 1672, 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
#
# 3 HIS HB- 44 VAL MGY 4.50 (# 1673:20 Unique 2.51, 5.10 A)
&rst
ixpk= 1673, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 33, 34,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 37 VAL MGX 44 VAL MGY 3.50 (# 1674:20 Unique 2.26, 5.19 A)
&rst
ixpk= 1674, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 30 LYS HN 29 VAL MGX 4.50 (# 1675:20 Unique 2.30, 4.24 A)
&rst
ixpk= 1675, 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
#
# 29 VAL HN 29 VAL MGX 4.50 (# 1676:20 Unique 2.31, 3.90 A)
&rst
ixpk= 1676, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:1677 29 VAL MGX 3.50 (# 1677:20 Single Ambig)
&rst
ixpk= 1677, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 891, 408,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL HA 29 VAL MGX 4.50 (# 1678:20 Unique 2.37, 3.46 A)
&rst
ixpk= 1678, nxpk= 20, iat= 464, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL HB 29 VAL MGX 3.50 (# 1679:20 Unique 2.34, 2.64 A)
&rst
ixpk= 1679, 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 20-2:1680 29 VAL MGX 3.50 (# 1680:20 Single Ambig)
&rst
ixpk= 1680, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 543, 940, 482, 483,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:1681 29 VAL MGX 3.50 (# 1681:20 Single Ambig)
&rst
ixpk= 1681, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 485, 486, 962,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 57 ALA MB 29 VAL MGX 4.50 (# 1682:20 Unique 2.24, 4.40 A)
&rst
ixpk= 1682, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 893, 894, 895,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:1683 29 VAL MGX 2.80 (# 1683:20 Single Ambig)
&rst
ixpk= 1683, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
969, 970,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 22 ILE HN 21 ALA MB 4.50 (# 1684:20 Unique 2.21, 3.49 A)
&rst
ixpk= 1684, nxpk= 20, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 334, 335, 336,
&end
#
# 6 ASP HB+ 21 ALA MB 5.50 (# 1685:20 Unique 2.15, 3.62 A)
&rst
ixpk= 1685, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 93, 94,
igr2= 334, 335, 336,
&end
#
# 6 ASP HB- 21 ALA MB 4.50 (# 1686:20 Unique 2.15, 3.62 A)
&rst
ixpk= 1686, 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 20-2:1687 21 ALA MB 3.50 (# 1687:20 Single Ambig)
&rst
ixpk= 1687, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
igr2= 334, 335, 336,
&end
#
# 6 ASP HN 21 ALA MB 5.50 (# 1688:20 Unique 2.67, 3.96 A)
&rst
ixpk= 1688, nxpk= 20, iat= 89, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 334, 335, 336,
&end
#
# 21 ALA HN 21 ALA MB 3.50 (# 1689:20 Unique 2.46, 2.97 A)
&rst
ixpk= 1689, nxpk= 20, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 334, 335, 336,
&end
#
# 18 VAL HN 21 ALA MB 5.50 (# 1690:20 Unique 3.03, 4.38 A)
&rst
ixpk= 1690, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 334, 335, 336,
&end
#
# 7 VAL HN 21 ALA MB 5.50 (# 1691:20 Unique 5.98, 6.90 A)
&rst
ixpk= 1691, nxpk= 20, iat= 101, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 334, 335, 336,
&end
#
# 21 ALA HA 21 ALA MB 3.50 (# 1694:20 Unique 2.38, 2.67 A)
&rst
ixpk= 1694, nxpk= 20, iat= 332, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 334, 335, 336,
&end
#
# 0 AMB 20-2:1696 21 ALA MB 3.50 (# 1696:20 Single Ambig)
&rst
ixpk= 1696, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 50, 51, 277, 278,
igr2= 334, 335, 336,
&end
#
# 68 HIS HB- 43 THR MG2 5.50 (# 1698:20 Unique 2.29, 4.42 A)
&rst
ixpk= 1698, 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
#
# 44 VAL HN 43 THR MG2 4.50 (# 1699:20 Unique 2.59, 3.73 A)
&rst
ixpk= 1699, nxpk= 20, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 688, 689, 690,
&end
#
# 0 AMB 20-2:1700 43 THR MG2 4.50 (# 1700:20 Single Ambig)
&rst
ixpk= 1700, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 29, 682,
igr2= 688, 689, 690,
&end
#
# 0 AMB 20-2:1701 43 THR MG2 4.50 (# 1701:20 Single Ambig)
&rst
ixpk= 1701, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 16,1061,
igr2= 688, 689, 690,
&end
#
# 43 THR HB 43 THR MG2 3.50 (# 1703:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1703, nxpk= 20, iat= 686, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 688, 689, 690,
&end
#
# 68 HIS HB+ 43 THR MG2 5.50 (# 1704:20 Unique 2.29, 4.42 A)
&rst
ixpk= 1704, 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
#
# 45 LYS HE+ 43 THR MG2 3.50 (# 1705:20 Unique 2.39, 4.21 A)
&rst
ixpk= 1705, 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 20-2:1706 43 THR MG2 3.50 (# 1706:20 Single Ambig)
&rst
ixpk= 1706, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 21, 22, 21, 22,
igr2= 688, 689, 690,
&end
#
# 0 AMB 20-2:1707 43 THR MG2 3.50 (# 1707:20 Single Ambig)
&rst
ixpk= 1707, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 18, 19, 18, 19,
igr2= 688, 689, 690,
&end
#
# 45 LYS HG- 43 THR MG2 3.50 (# 1708:20 Unique 2.29, 4.10 A)
&rst
ixpk= 1708, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 719, 720,
igr2= 688, 689, 690,
&end
#
# 45 LYS HG+ 43 THR MG2 3.50 (# 1709:20 Unique 2.29, 4.10 A)
&rst
ixpk= 1709, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 719, 720,
igr2= 688, 689, 690,
&end
#
# 83 VAL HN 83 VAL MGY 4.50 (# 1710:20 Unique 1.88, 3.43 A)
&rst
ixpk= 1710, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 84 LYS HN 83 VAL MGY 4.50 (# 1711:20 Unique 2.35, 4.53 A)
&rst
ixpk= 1711, nxpk= 20, iat=1296, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 83 VAL HA 83 VAL MGY 4.50 (# 1712:20 Unique 2.38, 3.50 A)
&rst
ixpk= 1712, 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 HA 83 VAL MGY 5.50 (# 1713:20 Unique 2.29, 4.28 A)
&rst
ixpk= 1713, 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
#
# 19 GLN HG- 83 VAL MGY 4.50 (# 1714:20 Unique 2.47, 4.49 A)
&rst
ixpk= 1714, 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 (# 1715:20 Unique 2.37, 2.65 A)
&rst
ixpk= 1715, 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
#
# 71 ASN HB- 46 VAL MGX 5.50 (# 1716:20 Unique 2.62, 6.05 A)
&rst
ixpk= 1716, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1111,1112,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 72 ALA HN 46 VAL MGX 4.50 (# 1718:20 Unique 3.27, 5.59 A)
&rst
ixpk= 1718, nxpk= 20, iat=1121, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:1719 46 VAL MGX 3.50 (# 1719:20 Single Ambig)
&rst
ixpk= 1719, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 734, 899,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 46 VAL HA 46 VAL MGX 4.50 (# 1720:20 Unique 2.37, 3.49 A)
&rst
ixpk= 1720, nxpk= 20, iat= 736, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 71 ASN HA 46 VAL MGX 3.50 (# 1721:20 Unique 2.14, 4.40 A)
&rst
ixpk= 1721, 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 20-2:1722 46 VAL MGX 3.50 (# 1722:20 Single Ambig)
&rst
ixpk= 1722, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 858, 859, 901,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 54 SER HB- 46 VAL MGX 4.50 (# 1723:20 Unique 2.22, 5.10 A)
&rst
ixpk= 1723, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 858, 859,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:1724 46 VAL MGX 3.50 (# 1724:20 Single Ambig)
&rst
ixpk= 1724, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 74, 738,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:1725 7 VAL MGY 5.50 (# 1725:20 Single Ambig)
&rst
ixpk= 1725, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 750, 889,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 7 VAL HN 7 VAL MGY 4.50 (# 1726:20 Unique 2.19, 3.45 A)
&rst
ixpk= 1726, 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
#
# 7 VAL HA 7 VAL MGY 3.50 (# 1727:20 Unique 2.43, 3.52 A)
&rst
ixpk= 1727, 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 20-2:1728 7 VAL MGY 4.50 (# 1728:20 Single Ambig)
&rst
ixpk= 1728, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 408, 891,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 7 VAL HB 7 VAL MGY 3.50 (# 1729:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1729, nxpk= 20, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1730 7 VAL MGY 3.50 (# 1730:20 Single Ambig)
&rst
ixpk= 1730, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 738, 74,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 57 ALA MB 7 VAL MGY 2.80 (# 1731:20 Unique 2.22, 3.74 A)
&rst
ixpk= 1731, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 893, 894, 895,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 54 SER HA 7 VAL MGY 4.50 (# 1732:20 Unique 2.08, 3.90 A)
&rst
ixpk= 1732, nxpk= 20, iat= 856, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1733 50 ALA MB 4.50 (# 1733:20 Single Ambig)
&rst
ixpk= 1733, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 817, 818, 817, 818,
igr2= 800, 801, 802,
&end
#
# 57 ALA MB 46 VAL MGX 3.50 (# 1734:20 Unique 2.50, 4.52 A)
&rst
ixpk= 1734, 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
#
# 61 LEU MDY 46 VAL MGX 4.50 (# 1735:20 Unique 2.54, 6.14 A)
&rst
ixpk= 1735, 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
#
# 37 VAL HN 36 ALA MB 3.50 (# 1737:20 Unique 2.51, 3.52 A)
&rst
ixpk= 1737, nxpk= 20, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 586, 587, 588,
&end
#
# 35 THR HN 36 ALA MB 5.50 (# 1738:20 Unique 4.10, 5.03 A)
&rst
ixpk= 1738, nxpk= 20, iat= 568, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 586, 587, 588,
&end
#
# 36 ALA HN 36 ALA MB 3.50 (# 1739:20 Unique 2.44, 2.95 A)
&rst
ixpk= 1739, 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 (# 1740:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1740, nxpk= 20, iat= 584, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 586, 587, 588,
&end
#
# 0 AMB 20-2:1741 36 ALA MB 5.50 (# 1741:20 Single Ambig)
&rst
ixpk= 1741, 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
#
# 33 ILE HA 36 ALA MB 4.50 (# 1742:20 Unique 2.25, 3.44 A)
&rst
ixpk= 1742, nxpk= 20, iat= 541, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 586, 587, 588,
&end
#
# 0 AMB 20-2:1743 36 ALA MB 4.50 (# 1743:20 Single Ambig)
&rst
ixpk= 1743, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 519, 520, 596,
igr2= 586, 587, 588,
&end
#
# 22 ILE QD1 36 ALA MB 3.50 (# 1744:20 Unique 2.29, 3.98 A)
&rst
ixpk= 1744, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 353, 354, 355,
igr2= 586, 587, 588,
&end
#
# 0 AMB 20-2:1745 36 ALA MB 2.80 (# 1745:20 Single Ambig)
&rst
ixpk= 1745, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 386, 387, 388, 83, 84, 85,
igr2= 586, 587, 588,
&end
#
# 37 VAL MGX 36 ALA MB 3.50 (# 1746:20 Unique 2.46, 5.59 A)
&rst
ixpk= 1746, 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
#
# 0 AMB 20-2:1747 50 ALA MB 5.50 (# 1747:20 Single Ambig)
&rst
ixpk= 1747, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 791, 792, 786, 787, 775, 776,
igr2= 800, 801, 802,
&end
#
# 1 ALA HA 1 ALA MB 3.50 (# 1748:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1748, nxpk= 20, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 8, 9, 10,
&end
#
# 0 AMB 20-2:1749 0 AMB 20-1:1749 4.50 (# 1749:20 Double Ambig)
&rst
ixpk= 1749, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 14,1138,
igr2= 8, 9, 10,1125,1126,1127,
&end
#
# 78 ILE HG1+ 72 ALA MB 5.50 (# 1751:20 Unique 2.20, 4.63 A)
&rst
ixpk= 1751, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1208,1209,
igr2=1125,1126,1127,
&end
#
# 72 ALA HN 72 ALA MB 3.50 (# 1752:20 Unique 2.37, 2.87 A)
&rst
ixpk= 1752, nxpk= 20, iat=1121, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1125,1126,1127,
&end
#
# 71 ASN HD2- 72 ALA MB 5.50 (# 1755:20 Unique 4.21, 7.13 A)
&rst
ixpk= 1755, 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
#
# 72 ALA HA 72 ALA MB 2.80 (# 1758:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1758, nxpk= 20, iat=1123, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1125,1126,1127,
&end
#
# 47 TYR HB+ 72 ALA MB 4.50 (# 1759:20 Unique 2.19, 4.23 A)
&rst
ixpk= 1759, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 754, 755,
igr2=1125,1126,1127,
&end
#
# 47 TYR HB- 72 ALA MB 3.50 (# 1760:20 Unique 2.19, 4.23 A)
&rst
ixpk= 1760, 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
#
# 0 AMB 20-2:1761 72 ALA MB 4.50 (# 1761:20 Single Ambig)
&rst
ixpk= 1761, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 716, 717,1211,1212,1213,
igr2=1125,1126,1127,
&end
#
# 84 LYS HN 83 VAL MGX 4.50 (# 1762:20 Unique 2.35, 4.53 A)
&rst
ixpk= 1762, nxpk= 20, iat=1296, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 83 VAL HA 83 VAL MGX 4.50 (# 1764:20 Unique 2.38, 3.50 A)
&rst
ixpk= 1764, 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 HA 83 VAL MGX 3.50 (# 1765:20 Unique 2.29, 4.28 A)
&rst
ixpk= 1765, 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
#
# 83 VAL HB 83 VAL MGX 3.50 (# 1766:20 Unique 2.37, 2.65 A)
&rst
ixpk= 1766, 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
#
# 83 VAL HN 83 VAL MGX 3.50 (# 1767:20 Unique 1.88, 3.43 A)
&rst
ixpk= 1767, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 19 GLN HG- 83 VAL MGX 3.50 (# 1768:20 Unique 2.47, 4.49 A)
&rst
ixpk= 1768, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 313, 314,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 37 VAL HN 37 VAL MGX 4.50 (# 1769:20 Unique 2.81, 4.27 A)
&rst
ixpk= 1769, 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 (# 1770:20 Unique 2.37, 3.14 A)
&rst
ixpk= 1770, 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 20-2:1771 37 VAL MGX 4.50 (# 1771:20 Single Ambig)
&rst
ixpk= 1771, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 674, 675, 33, 34, 626, 627,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 3 HIS HB- 37 VAL MGX 4.50 (# 1772:20 Unique 2.49, 4.14 A)
&rst
ixpk= 1772, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 33, 34,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 37 VAL HB 37 VAL MGX 2.80 (# 1773:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1773, 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 20-2:1774 37 VAL MGX 3.50 (# 1774:20 Single Ambig)
&rst
ixpk= 1774, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 586, 587, 588, 549, 550,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 19 GLN HN 18 VAL MGX 4.50 (# 1776:20 Unique 2.82, 4.25 A)
&rst
ixpk= 1776, 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 (# 1777:20 Unique 2.28, 3.17 A)
&rst
ixpk= 1777, 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
#
# 4 TRP HB+ 18 VAL MGX 5.50 (# 1778:20 Unique 2.63, 6.09 A)
&rst
ixpk= 1778, 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 20-2:1779 18 VAL MGX 2.80 (# 1779:20 Single Ambig)
&rst
ixpk= 1779, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1234,1235, 294,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:1780 18 VAL MGX 4.50 (# 1780:20 Single Ambig)
&rst
ixpk= 1780, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
igr1=1154,1155,1156,1158,1159,1160,1208,1209,1265,1266,
1231,1232,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 33 ILE HN 33 ILE QG2 3.50 (# 1781:20 Unique 1.97, 2.99 A)
&rst
ixpk= 1781, nxpk= 20, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 545, 546, 547,
&end
#
# 34 ALA HN 33 ILE QG2 3.50 (# 1782:20 Unique 2.21, 3.16 A)
&rst
ixpk= 1782, 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 3.50 (# 1785:20 Unique 2.27, 3.80 A)
&rst
ixpk= 1785, nxpk= 20, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 545, 546, 547,
&end
#
# 33 ILE HB 33 ILE QG2 2.80 (# 1786:20 Unique 2.28, 2.65 A)
&rst
ixpk= 1786, nxpk= 20, iat= 543, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 545, 546, 547,
&end
#
# 33 ILE HG1+ 33 ILE QG2 3.50 (# 1787:20 Unique 2.39, 3.17 A)
&rst
ixpk= 1787, 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
#
# 61 LEU MDX 33 ILE QG2 3.50 (# 1788:20 Unique 2.19, 4.74 A)
&rst
ixpk= 1788, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 964, 965, 966, 968, 969, 970,
igr2= 545, 546, 547,
&end
#
# 33 ILE HG1- 33 ILE QG2 3.50 (# 1789:20 Unique 2.39, 3.17 A)
&rst
ixpk= 1789, 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 20-2:1790 0 AMB 20-1:1790 5.50 (# 1790:20 Double Ambig)
&rst
ixpk= 1790, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 515, 290,
igr2= 379, 380, 381,1286,1287,1288,1290,1291,1292,
&end
#
# 0 AMB 20-2:1791 0 AMB 20-1:1791 2.80 (# 1791:20 Double Ambig)
&rst
ixpk= 1791, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1= 310, 311, 377,
igr2=1286,1287,1288,1290,1291,1292, 379, 380, 381,
&end
#
# 0 AMB 20-2:1792 0 AMB 20-1:1792 4.50 (# 1792:20 Double Ambig)
&rst
ixpk= 1792, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.79, r4= 8.54,
igr1= 318, 319, 462,
igr2=1286,1287,1288,1290,1291,1292, 379, 380, 381,
&end
#
# 24 ILE HA 24 ILE QG2 3.50 (# 1793:20 Unique 2.42, 3.01 A)
&rst
ixpk= 1793, nxpk= 20, iat= 375, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 379, 380, 381,
&end
#
# 32 ARG HD- 24 ILE QG2 4.50 (# 1794:20 Unique 2.25, 3.79 A)
&rst
ixpk= 1794, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 525, 526,
igr2= 379, 380, 381,
&end
#
# 29 VAL HB 24 ILE QG2 3.50 (# 1795:20 Unique 3.02, 4.22 A)
&rst
ixpk= 1795, nxpk= 20, iat= 466, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 379, 380, 381,
&end
#
# 0 AMB 20-2:1796 0 AMB 20-1:1796 3.50 (# 1796:20 Double Ambig)
&rst
ixpk= 1796, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.98, r4= 7.73,
igr1= 519, 520, 310, 311, 543, 522, 523,
igr2= 379, 380, 381,1286,1287,1288,1290,1291,1292,
&end
#
# 29 VAL HA 24 ILE QG2 2.80 (# 1797:20 Unique 2.12, 2.77 A)
&rst
ixpk= 1797, nxpk= 20, iat= 464, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 379, 380, 381,
&end
#
# 24 ILE HG1- 24 ILE QG2 4.50 (# 1798:20 Unique 2.50, 3.57 A)
&rst
ixpk= 1798, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 383, 384,
igr2= 379, 380, 381,
&end
#
# 29 VAL MGY 24 ILE QG2 2.80 (# 1799:20 Unique 2.30, 5.28 A)
&rst
ixpk= 1799, 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
#
# 7 VAL HN 57 ALA MB 5.50 (# 1800:20 Unique 5.73, 6.18 A)
&rst
ixpk= 1800, nxpk= 20, iat= 101, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 893, 894, 895,
&end
#
# 58 LYS HN 57 ALA MB 2.80 (# 1801:20 Unique 2.73, 3.54 A)
&rst
ixpk= 1801, nxpk= 20, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 893, 894, 895,
&end
#
# 0 AMB 20-2:1802 57 ALA MB 2.80 (# 1802:20 Single Ambig)
&rst
ixpk= 1802, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 891, 408,
igr2= 893, 894, 895,
&end
#
# 0 AMB 20-2:1803 57 ALA MB 2.80 (# 1803:20 Single Ambig)
&rst
ixpk= 1803, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1= 415, 416, 417, 419, 420, 421, 468, 469, 470, 472,
473, 474, 740, 741, 742, 744, 745, 746,
igr2= 893, 894, 895,
&end
#
# 0 AMB 20-2:1804 57 ALA MB 2.80 (# 1804:20 Single Ambig)
&rst
ixpk= 1804, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1= 107, 108, 109, 111, 112, 113, 468, 469, 470, 472,
473, 474, 740, 741, 742, 744, 745, 746,
igr2= 893, 894, 895,
&end
#
# 61 LEU MDY 57 ALA MB 4.50 (# 1805:20 Unique 3.17, 6.10 A)
&rst
ixpk= 1805, 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
#
# 7 VAL HN 7 VAL MGX 3.50 (# 1806:20 Unique 2.19, 3.45 A)
&rst
ixpk= 1806, 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 20-2:1808 7 VAL MGX 3.50 (# 1808:20 Single Ambig)
&rst
ixpk= 1808, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 856, 858, 859,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 48 CYS HB+ 7 VAL MGX 4.50 (# 1809:20 Unique 2.14, 4.99 A)
&rst
ixpk= 1809, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 775, 776,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 48 CYS HB- 7 VAL MGX 3.50 (# 1810:20 Unique 2.14, 4.99 A)
&rst
ixpk= 1810, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 775, 776,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 7 VAL HB 7 VAL MGX 3.50 (# 1811:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1811, nxpk= 20, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 53 GLN HB- 7 VAL MGX 4.50 (# 1812:20 Unique 2.85, 6.40 A)
&rst
ixpk= 1812, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 841, 842,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1813 7 VAL MGX 5.50 (# 1813:20 Single Ambig)
&rst
ixpk= 1813, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 750, 889,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 11 GLU HN 9 VAL MGX 4.50 (# 1814:20 Unique 2.48, 4.27 A)
&rst
ixpk= 1814, 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 (# 1815:20 Unique 1.90, 3.00 A)
&rst
ixpk= 1815, 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 (# 1816:20 Unique 2.25, 5.14 A)
&rst
ixpk= 1816, 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 (# 1818:20 Unique 2.39, 3.49 A)
&rst
ixpk= 1818, 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
#
# 0 AMB 20-2:1819 9 VAL MGX 4.50 (# 1819:20 Single Ambig)
&rst
ixpk= 1819, 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
#
# 9 VAL HB 9 VAL MGX 2.80 (# 1820:20 Unique 2.35, 2.66 A)
&rst
ixpk= 1820, 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 (# 1821:20 Unique 3.78, 6.50 A)
&rst
ixpk= 1821, 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
#
# 0 AMB 20-2:1822 9 VAL MGX 3.50 (# 1822:20 Single Ambig)
&rst
ixpk= 1822, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 175, 176, 175, 176,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 7 VAL HA 7 VAL MGX 5.50 (# 1823:20 Unique 2.43, 3.52 A)
&rst
ixpk= 1823, 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 20-2:1824 7 VAL MGX 3.50 (# 1824:20 Single Ambig)
&rst
ixpk= 1824, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 893, 894, 895, 410, 411,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 35 THR HN 34 ALA MB 4.50 (# 1825:20 Unique 2.68, 3.73 A)
&rst
ixpk= 1825, nxpk= 20, iat= 568, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 562, 563, 564,
&end
#
# 38 PRO HA 34 ALA MB 5.50 (# 1826:20 Unique 3.41, 5.15 A)
&rst
ixpk= 1826, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 562, 563, 564,
&end
#
# 34 ALA HA 34 ALA MB 2.80 (# 1827:20 Unique 2.44, 2.66 A)
&rst
ixpk= 1827, nxpk= 20, iat= 560, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 562, 563, 564,
&end
#
# 34 ALA HN 34 ALA MB 2.80 (# 1828:20 Unique 2.44, 2.87 A)
&rst
ixpk= 1828, nxpk= 20, iat= 558, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 562, 563, 564,
&end
#
# 0 AMB 20-2:1829 34 ALA MB 4.50 (# 1829:20 Single Ambig)
&rst
ixpk= 1829, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1=1011,1012,1013, 507, 508,
igr2= 562, 563, 564,
&end
#
# 38 PRO HB- 34 ALA MB 5.50 (# 1830:20 Unique 3.25, 6.70 A)
&rst
ixpk= 1830, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 615, 616,
igr2= 562, 563, 564,
&end
#
# 78 ILE HN 78 ILE QG2 4.50 (# 1831:20 Unique 4.14, 4.50 A)
&rst
ixpk= 1831, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1204,1205,1206,
&end
#
# 79 ALA HN 78 ILE QG2 4.50 (# 1832:20 Unique 2.28, 3.74 A)
&rst
ixpk= 1832, nxpk= 20, iat=1217, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1204,1205,1206,
&end
#
# 80 MET HN 78 ILE QG2 3.50 (# 1833:20 Unique 2.12, 3.64 A)
&rst
ixpk= 1833, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1204,1205,1206,
&end
#
# 78 ILE HA 78 ILE QG2 3.50 (# 1836:20 Unique 2.36, 3.18 A)
&rst
ixpk= 1836, nxpk= 20, iat=1200, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1204,1205,1206,
&end
#
# 82 LYS HE+ 78 ILE QG2 5.50 (# 1837:20 Unique 2.72, 5.71 A)
&rst
ixpk= 1837, 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
#
# 80 MET HG+ 78 ILE QG2 3.50 (# 1838:20 Unique 2.10, 3.77 A)
&rst
ixpk= 1838, 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
#
# 0 AMB 20-2:1839 78 ILE QG2 2.80 (# 1839:20 Single Ambig)
&rst
ixpk= 1839, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1202,1125,1126,1127,
igr2=1204,1205,1206,
&end
#
# 0 AMB 20-2:1840 78 ILE QG2 2.80 (# 1840:20 Single Ambig)
&rst
ixpk= 1840, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1208,1209,1231,1232,
igr2=1204,1205,1206,
&end
#
# 0 AMB 20-2:1841 78 ILE QG2 3.50 (# 1841:20 Single Ambig)
&rst
ixpk= 1841, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
igr2=1204,1205,1206,
&end
#
# 23 ASN HN 22 ILE QG2 4.50 (# 1843:20 Unique 2.87, 4.54 A)
&rst
ixpk= 1843, nxpk= 20, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 346, 347, 348,
&end
#
# 22 ILE HA 22 ILE QG2 4.50 (# 1844:20 Unique 2.28, 2.99 A)
&rst
ixpk= 1844, nxpk= 20, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 346, 347, 348,
&end
#
# 30 LYS HN 60 ILE QG2 5.50 (# 1845:20 Unique 3.14, 4.34 A)
&rst
ixpk= 1845, nxpk= 20, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 942, 943, 944,
&end
#
# 61 LEU HA 60 ILE QG2 5.50 (# 1846:20 Unique 3.15, 4.26 A)
&rst
ixpk= 1846, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 942, 943, 944,
&end
#
# 30 LYS HA 60 ILE QG2 4.50 (# 1847:20 Unique 2.48, 3.60 A)
&rst
ixpk= 1847, nxpk= 20, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 942, 943, 944,
&end
#
# 34 ALA HN 64 MET ME 5.50 (# 1848:20 Unique 3.52, 5.29 A)
&rst
ixpk= 1848, nxpk= 20, iat= 558, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1011,1012,1013,
&end
#
# 30 LYS HA 64 MET ME 4.50 (# 1850:20 Unique 2.20, 4.04 A)
&rst
ixpk= 1850, nxpk= 20, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1011,1012,1013,
&end
#
# 64 MET HG+ 64 MET ME 4.50 (# 1851:20 Unique 2.42, 3.68 A)
&rst
ixpk= 1851, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1007,1008,
igr2=1011,1012,1013,
&end
#
# 0 AMB 20-2:1852 64 MET ME 2.80 (# 1852:20 Single Ambig)
&rst
ixpk= 1852, 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
#
# 0 AMB 20-2:1853 64 MET ME 4.50 (# 1853:20 Single Ambig)
&rst
ixpk= 1853, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 562, 563, 564, 485, 486,
igr2=1011,1012,1013,
&end
#
# 33 ILE QG2 64 MET ME 2.80 (# 1854:20 Unique 2.22, 4.19 A)
&rst
ixpk= 1854, 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
#
# 61 LEU MDX 64 MET ME 5.50 (# 1855:20 Unique 2.21, 6.97 A)
&rst
ixpk= 1855, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 964, 965, 966, 968, 969, 970,
igr2=1011,1012,1013,
&end
#
# 30 LYS HB+ 64 MET ME 5.50 (# 1856:20 Unique 2.16, 5.53 A)
&rst
ixpk= 1856, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 482, 483,
igr2=1011,1012,1013,
&end
#
# 0 AMB 20-2:1857 64 MET ME 5.50 (# 1857:20 Single Ambig)
&rst
ixpk= 1857, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 485, 486, 962,
igr2=1011,1012,1013,
&end
#
# 0 AMB 20-2:1858 22 ILE QG2 4.50 (# 1858:20 Single Ambig)
&rst
ixpk= 1858, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 386, 387, 388, 83, 84, 85,
igr2= 346, 347, 348,
&end
#
# 61 LEU HN 60 ILE QG2 5.50 (# 1859:20 Unique 3.10, 4.00 A)
&rst
ixpk= 1859, nxpk= 20, iat= 955, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 942, 943, 944,
&end
#
# 0 AMB 20-2:1860 60 ILE QG2 4.50 (# 1860:20 Single Ambig)
&rst
ixpk= 1860, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=1011,1012,1013, 989, 990, 989, 990,
igr2= 942, 943, 944,
&end
#
# 0 AMB 20-2:1861 0 AMB 20-1:1861 2.80 (# 1861:20 Double Ambig)
&rst
ixpk= 1861, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 482, 483, 940, 344, 946, 947,
igr2= 942, 943, 944, 346, 347, 348,
&end
#
# 60 ILE HN 60 ILE QG2 5.50 (# 1862:20 Unique 4.35, 4.59 A)
&rst
ixpk= 1862, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 942, 943, 944,
&end
#
# 0 AMB 20-2:1863 0 AMB 20-1:1863 3.50 (# 1863:20 Double Ambig)
&rst
ixpk= 1863, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 938, 325, 326,
igr2= 942, 943, 944, 346, 347, 348,
&end
#
# 0 AMB 20-2:1864 60 ILE QG2 4.50 (# 1864:20 Single Ambig)
&rst
ixpk= 1864, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 491, 492, 491, 492,
igr2= 942, 943, 944,
&end
#
# 29 VAL HB 60 ILE QG2 5.50 (# 1865:20 Unique 5.01, 5.98 A)
&rst
ixpk= 1865, nxpk= 20, iat= 466, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 942, 943, 944,
&end
#
# 0 AMB 20-2:1866 60 ILE QG2 3.50 (# 1866:20 Single Ambig)
&rst
ixpk= 1866, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 485, 486, 962,
igr2= 942, 943, 944,
&end
#
# 30 LYS HB- 64 MET ME 5.50 (# 1868:20 Unique 2.16, 5.53 A)
&rst
ixpk= 1868, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 482, 483,
igr2=1011,1012,1013,
&end
#
# 6 ASP HN 5 ILE QG2 4.50 (# 1869:20 Unique 2.60, 3.54 A)
&rst
ixpk= 1869, nxpk= 20, iat= 89, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 76, 77, 78,
&end
#
# 24 ILE HN 5 ILE QG2 4.50 (# 1870:20 Unique 3.12, 3.92 A)
&rst
ixpk= 1870, nxpk= 20, iat= 373, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 76, 77, 78,
&end
#
# 5 ILE HA 5 ILE QG2 4.50 (# 1871:20 Unique 2.38, 3.04 A)
&rst
ixpk= 1871, nxpk= 20, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 76, 77, 78,
&end
#
# 0 AMB 20-2:1872 5 ILE QG2 3.50 (# 1872:20 Single Ambig)
&rst
ixpk= 1872, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 74, 344,
igr2= 76, 77, 78,
&end
#
# 0 AMB 20-2:1873 5 ILE QG2 3.50 (# 1873:20 Single Ambig)
&rst
ixpk= 1873, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 377, 350, 351,
igr2= 76, 77, 78,
&end
#
# 0 AMB 20-2:1874 5 ILE QG2 3.50 (# 1874:20 Single Ambig)
&rst
ixpk= 1874, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 80, 81, 80, 81,
igr2= 76, 77, 78,
&end
#
# 79 ALA HN 79 ALA MB 3.50 (# 1875:20 Unique 2.44, 2.93 A)
&rst
ixpk= 1875, nxpk= 20, iat=1217, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1221,1222,1223,
&end
#
# 80 MET HN 79 ALA MB 5.50 (# 1876:20 Unique 4.12, 4.52 A)
&rst
ixpk= 1876, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1221,1222,1223,
&end
#
# 79 ALA HA 79 ALA MB 3.50 (# 1877:20 Unique 2.46, 2.67 A)
&rst
ixpk= 1877, nxpk= 20, iat=1219, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1221,1222,1223,
&end
#
# 4 TRP HE1 80 MET ME 4.50 (# 1878:20 Unique 2.72, 5.09 A)
&rst
ixpk= 1878, nxpk= 20, iat= 56, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1238,1239,1240,
&end
#
# 0 AMB 20-2:1879 80 MET ME 5.50 (# 1879:20 Single Ambig)
&rst
ixpk= 1879, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1245,1246, 325, 326,
igr2=1238,1239,1240,
&end
#
# 18 VAL MGX 80 MET ME 3.50 (# 1880:20 Unique 2.23, 5.44 A)
&rst
ixpk= 1880, 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
#
# 81 PRO HD- 80 MET ME 4.50 (# 1881:20 Unique 2.46, 5.65 A)
&rst
ixpk= 1881, 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
#
# 0 AMB 20-2:1883 80 MET ME 4.50 (# 1883:20 Single Ambig)
&rst
ixpk= 1883, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1234,1235, 313, 314,
igr2=1238,1239,1240,
&end
#
# 0 AMB 20-2:1884 80 MET ME 5.50 (# 1884:20 Single Ambig)
&rst
ixpk= 1884, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1248,1249,1248,1249,
igr2=1238,1239,1240,
&end
#
# 0 AMB 20-2:1885 0 AMB 20-1:1885 5.50 (# 1885:20 Double Ambig)
&rst
ixpk= 1885, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 592,1138,
igr2= 552, 553, 554,1211,1212,1213,
&end
#
# 33 ILE HA 33 ILE QD1 3.50 (# 1886:20 Unique 2.18, 3.04 A)
&rst
ixpk= 1886, nxpk= 20, iat= 541, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 552, 553, 554,
&end
#
# 0 AMB 20-2:1887 33 ILE QD1 3.50 (# 1887:20 Single Ambig)
&rst
ixpk= 1887, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 549, 550, 586, 587, 588,
igr2= 552, 553, 554,
&end
#
# 0 AMB 20-2:1888 33 ILE QD1 4.50 (# 1888:20 Single Ambig)
&rst
ixpk= 1888, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 80, 81, 80, 81,
igr2= 552, 553, 554,
&end
#
# 0 AMB 20-2:1890 0 AMB 20-1:1890 2.80 (# 1890:20 Double Ambig)
&rst
ixpk= 1890, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1208,1209, 543,
igr2=1211,1212,1213, 552, 553, 554,
&end
#
# 78 ILE HN 78 ILE QD1 4.50 (# 1891:20 Unique 2.09, 3.02 A)
&rst
ixpk= 1891, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1211,1212,1213,
&end
#
# 75 LEU HA 78 ILE QD1 3.50 (# 1893:20 Unique 2.19, 3.62 A)
&rst
ixpk= 1893, 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 (# 1894:20 Unique 2.15, 3.32 A)
&rst
ixpk= 1894, 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 20-2:1895 0 AMB 20-1:1895 3.50 (# 1895:20 Double Ambig)
&rst
ixpk= 1895, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1208,1209, 468, 469, 470, 472, 473, 474,
igr2=1211,1212,1213, 552, 553, 554,
&end
#
# 47 TYR HB+ 78 ILE QD1 4.50 (# 1897:20 Unique 2.15, 3.32 A)
&rst
ixpk= 1897, 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 20-2:1898 78 ILE QD1 3.50 (# 1898:20 Single Ambig)
&rst
ixpk= 1898, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1125,1126,1127,1202,
igr2=1211,1212,1213,
&end
#
# 0 AMB 20-2:1899 78 ILE QD1 4.50 (# 1899:20 Single Ambig)
&rst
ixpk= 1899, 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=1211,1212,1213,
&end
#
# 60 ILE HA 60 ILE QD1 5.50 (# 1900:20 Unique 4.48, 4.64 A)
&rst
ixpk= 1900, nxpk= 20, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 949, 950, 951,
&end
#
# 56 GLN HB+ 60 ILE QD1 5.50 (# 1901:20 Unique 3.12, 4.67 A)
&rst
ixpk= 1901, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 876, 877,
igr2= 949, 950, 951,
&end
#
# 60 ILE HN 60 ILE QD1 4.50 (# 1902:20 Unique 3.72, 4.50 A)
&rst
ixpk= 1902, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 949, 950, 951,
&end
#
# 57 ALA HA 60 ILE QD1 3.50 (# 1903:20 Unique 2.26, 3.42 A)
&rst
ixpk= 1903, nxpk= 20, iat= 891, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 949, 950, 951,
&end
#
# 29 VAL HB 60 ILE QD1 4.50 (# 1904:20 Unique 4.92, 5.66 A)
&rst
ixpk= 1904, nxpk= 20, iat= 466, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 949, 950, 951,
&end
#
# 60 ILE HG1+ 60 ILE QD1 2.80 (# 1905:20 Unique 2.36, 2.67 A)
&rst
ixpk= 1905, 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 20-2:1906 60 ILE QD1 2.80 (# 1906:20 Single Ambig)
&rst
ixpk= 1906, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 946, 947, 940, 482, 483,
igr2= 949, 950, 951,
&end
#
# 22 ILE HG1- 22 ILE QD1 3.50 (# 1907:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1907, 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 20-2:1908 22 ILE QD1 3.50 (# 1908:20 Single Ambig)
&rst
ixpk= 1908, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 586, 587, 588, 350, 351,
igr2= 353, 354, 355,
&end
#
# 37 VAL MGX 22 ILE QD1 5.50 (# 1909:20 Unique 3.13, 6.53 A)
&rst
ixpk= 1909, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 353, 354, 355,
&end
#
# 33 ILE HA 24 ILE QD1 4.50 (# 1910:20 Unique 2.12, 3.62 A)
&rst
ixpk= 1910, nxpk= 20, iat= 541, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 386, 387, 388,
&end
#
# 0 AMB 20-2:1911 24 ILE QD1 4.50 (# 1911:20 Single Ambig)
&rst
ixpk= 1911, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 522, 523, 519, 520, 344,
igr2= 386, 387, 388,
&end
#
# 0 AMB 20-2:1912 24 ILE QD1 3.50 (# 1912:20 Single Ambig)
&rst
ixpk= 1912, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 377, 350, 351,
igr2= 386, 387, 388,
&end
#
# 0 AMB 20-2:1913 24 ILE QD1 3.50 (# 1913:20 Single Ambig)
&rst
ixpk= 1913, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 586, 587, 588, 350, 351,
igr2= 386, 387, 388,
&end
#
# 24 ILE HG1- 24 ILE QD1 3.50 (# 1914:20 Unique 2.31, 2.65 A)
&rst
ixpk= 1914, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 383, 384,
igr2= 386, 387, 388,
&end
#
# 24 ILE HG1+ 24 ILE QD1 2.80 (# 1915:20 Unique 2.31, 2.65 A)
&rst
ixpk= 1915, 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 20-2:1917 5 ILE QD1 4.50 (# 1917:20 Single Ambig)
&rst
ixpk= 1917, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 344, 74,
igr2= 83, 84, 85,
&end
#
# 0 AMB 20-2:1918 5 ILE QD1 3.50 (# 1918:20 Single Ambig)
&rst
ixpk= 1918, 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 20-2:1919 5 ILE QD1 4.50 (# 1919:20 Single Ambig)
&rst
ixpk= 1919, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 350, 351, 586, 587, 588,
igr2= 83, 84, 85,
&end
#
# 44 VAL MGY 5 ILE QD1 4.50 (# 1920:20 Unique 2.34, 5.26 A)
&rst
ixpk= 1920, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 702, 703, 704, 706, 707, 708,
igr2= 83, 84, 85,
&end
#
# 37 VAL MGX 5 ILE QD1 4.50 (# 1921:20 Unique 2.41, 5.20 A)
&rst
ixpk= 1921, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 83, 84, 85,
&end
#
# 67 THR HN 67 THR HB 5.50 (# 1922:20 Unique 2.84, 3.48 A)
&rst
ixpk= 1922, nxpk= 20, iat=1045,1049, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 GLN HN 10 PRO HA 5.50 (# 1923:20 Unique 3.85, 4.52 A)
&rst
ixpk= 1923, 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 (# 1924:20 Unique 3.43, 3.50 A)
&rst
ixpk= 1924, nxpk= 20, iat= 171, 167, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 LEU HN 60 ILE HA 5.50 (# 1925:20 Unique 3.58, 3.61 A)
&rst
ixpk= 1925, 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 (# 1926:20 Unique 3.41, 5.15 A)
&rst
ixpk= 1926, nxpk= 20, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 562, 563, 564,
&end
#
# 38 PRO HB+ 38 PRO HA 3.50 (# 1927:20 Unique 2.27, 2.55 A)
&rst
ixpk= 1927, nxpk= 20, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 615, 616,
&end
#
# 38 PRO HD- 38 PRO HA 5.50 (# 1928:20 Unique 3.44, 3.79 A)
&rst
ixpk= 1928, 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 (# 1929:20 Unique 3.44, 3.79 A)
&rst
ixpk= 1929, 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 (# 1930:20 Unique 3.35, 3.55 A)
&rst
ixpk= 1930, nxpk= 20, iat= 622, 618, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 35 THR MG2 35 THR HA 4.50 (# 1931:20 Unique 2.37, 2.92 A)
&rst
ixpk= 1931, nxpk= 20, iat= -1, 570, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 574, 575, 576,
&end
#
# 37 VAL HN 35 THR HA 5.50 (# 1932:20 Unique 4.23, 4.52 A)
&rst
ixpk= 1932, nxpk= 20, iat= 592, 570, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 68 HIS HB+ 43 THR HA 5.50 (# 1933:20 Unique 2.16, 2.62 A)
&rst
ixpk= 1933, nxpk= 20, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1063,1064,
&end
#
# 43 THR MG2 43 THR HA 5.50 (# 1934:20 Unique 2.42, 3.09 A)
&rst
ixpk= 1934, nxpk= 20, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 688, 689, 690,
&end
#
# 43 THR HN 43 THR HA 5.50 (# 1936:20 Unique 2.79, 2.86 A)
&rst
ixpk= 1936, nxpk= 20, iat= 682, 684, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 44 VAL HN 43 THR HA 4.50 (# 1937:20 Unique 2.15, 2.24 A)
&rst
ixpk= 1937, nxpk= 20, iat= 696, 684, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1938 18 VAL HA 5.50 (# 1938:20 Single Ambig)
&rst
ixpk= 1938, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 310, 311, 334, 335, 336,1208,1209,
&end
#
# 0 AMB 20-2:1939 18 VAL HA 5.50 (# 1939:20 Single Ambig)
&rst
ixpk= 1939, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1154,1155,1156,1158,1159,1160,1286,1287,1288,1290,
1291,1292,
&end
#
# 81 PRO HD- 81 PRO HA 5.50 (# 1940:20 Unique 3.40, 3.77 A)
&rst
ixpk= 1940, 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 (# 1941:20 Unique 3.40, 3.77 A)
&rst
ixpk= 1941, nxpk= 20, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1245,1246,
&end
#
# 0 AMB 20-2:1942 81 PRO HA 5.50 (# 1942:20 Single Ambig)
&rst
ixpk= 1942, nxpk= 20, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1265,1266,1231,1232,
&end
#
# 0 AMB 20-2:1944 67 THR HA 5.50 (# 1944:20 Single Ambig)
&rst
ixpk= 1944, nxpk= 20, iat= -1,1047, 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
#
# 67 THR MG2 67 THR HA 3.50 (# 1945:20 Unique 2.37, 3.04 A)
&rst
ixpk= 1945, nxpk= 20, iat= -1,1047, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1051,1052,1053,
&end
#
# 70 GLU HB- 69 VAL HA 5.50 (# 1946:20 Unique 4.19, 4.66 A)
&rst
ixpk= 1946, nxpk= 20, iat= -1,1078, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1096,1097,
&end
#
# 44 VAL MGX 69 VAL HA 5.50 (# 1947:20 Unique 3.41, 4.74 A)
&rst
ixpk= 1947, nxpk= 20, iat= -1,1078, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 61 LEU MDY 69 VAL HA 5.50 (# 1948:20 Unique 4.34, 6.87 A)
&rst
ixpk= 1948, nxpk= 20, iat= -1,1078, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 964, 965, 966, 968, 969, 970,
&end
#
# 66 TYR HB- 62 SER HA 5.50 (# 1949:20 Unique 2.14, 4.21 A)
&rst
ixpk= 1949, nxpk= 20, iat= -1, 976, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1028,1029,
&end
#
# 32 ARG HN 33 ILE HA 5.50 (# 1951:20 Unique 4.59, 5.12 A)
&rst
ixpk= 1951, nxpk= 20, iat= 515, 541, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1953 0 AMB 20-1:1953 5.50 (# 1953:20 Double Ambig)
&rst
ixpk= 1953, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1219, 517,
igr2=1200, 541,
&end
#
# 46 VAL HB 54 SER HB- 5.50 (# 1954:20 Unique 2.33, 3.68 A)
&rst
ixpk= 1954, nxpk= 20, iat= 738, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 858, 859,
&end
#
# 55 GLY HN 54 SER HB- 5.50 (# 1956:20 Unique 2.31, 3.56 A)
&rst
ixpk= 1956, nxpk= 20, iat= 865, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 858, 859,
&end
#
# 0 AMB 20-2:1957 54 SER HB- 5.50 (# 1957:20 Single Ambig)
&rst
ixpk= 1957, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 750, 734,
igr2= 858, 859,
&end
#
# 46 VAL MGX 54 SER HB+ 4.50 (# 1959:20 Unique 2.22, 5.10 A)
&rst
ixpk= 1959, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 740, 741, 742, 744, 745, 746,
igr2= 858, 859,
&end
#
# 12 GLN HE2- 13 TYR HA 5.50 (# 1962:20 Unique 2.88, 4.52 A)
&rst
ixpk= 1962, nxpk= 20, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 198, 199,
&end
#
# 15 GLN HN 13 TYR HA 5.50 (# 1963:20 Unique 3.39, 4.11 A)
&rst
ixpk= 1963, nxpk= 20, iat= 241, 205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 43 THR MG2 44 VAL HA 5.50 (# 1965:20 Unique 3.87, 5.22 A)
&rst
ixpk= 1965, nxpk= 20, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 688, 689, 690,
&end
#
# 11 GLU HN 9 VAL HA 5.50 (# 1966:20 Unique 3.92, 4.03 A)
&rst
ixpk= 1966, nxpk= 20, iat= 171, 143, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 LEU HA 7 VAL HA 5.50 (# 1967:20 Unique 4.33, 4.56 A)
&rst
ixpk= 1967, nxpk= 20, iat= 408, 103, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1968 7 VAL HA 5.50 (# 1968:20 Single Ambig)
&rst
ixpk= 1968, nxpk= 20, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 410, 411, 893, 894, 895,
&end
#
# 23 ASN HD2- 7 VAL HA 5.50 (# 1969:20 Unique 3.93, 4.66 A)
&rst
ixpk= 1969, nxpk= 20, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 368, 369,
&end
#
# 32 ARG HN 30 LYS HA 5.50 (# 1970:20 Unique 3.76, 4.96 A)
&rst
ixpk= 1970, nxpk= 20, iat= 515, 480, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1971 83 VAL HA 5.50 (# 1971:20 Single Ambig)
&rst
ixpk= 1971, nxpk= 20, iat= -1,1282, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1306,1307,1306,1307,1300,1301,
&end
#
# 21 ALA HA 22 ILE HA 5.50 (# 1974:20 Unique 4.37, 4.48 A)
&rst
ixpk= 1974, nxpk= 20, iat= 332, 342, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 ASN HB- 22 ILE HA 5.50 (# 1975:20 Unique 4.45, 4.62 A)
&rst
ixpk= 1975, nxpk= 20, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 363, 364,
&end
#
# 0 AMB 20-2:1976 22 ILE HA 5.50 (# 1976:20 Single Ambig)
&rst
ixpk= 1976, nxpk= 20, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 83, 84, 85, 386, 387, 388, 76, 77, 78,
&end
#
# 51 GLY HN 52 ARG HA 5.50 (# 1977:20 Unique 4.74, 5.37 A)
&rst
ixpk= 1977, nxpk= 20, iat= 806, 815, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 GLN HG+ 15 GLN HA 5.50 (# 1978:20 Unique 2.58, 3.75 A)
&rst
ixpk= 1978, nxpk= 20, iat= -1, 243, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 248, 249,
&end
#
# 78 ILE HN 76 LYS HA 5.50 (# 1979:20 Unique 4.08, 4.37 A)
&rst
ixpk= 1979, nxpk= 20, iat=1198,1166, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 VAL HA 26 LEU HA 5.50 (# 1980:20 Unique 4.33, 4.56 A)
&rst
ixpk= 1980, nxpk= 20, iat= 103, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 9 VAL MGX 12 GLN HA 5.50 (# 1981:20 Unique 4.59, 7.56 A)
&rst
ixpk= 1981, 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
#
# 18 VAL MGX 19 GLN HA 5.50 (# 1982:20 Unique 4.51, 6.12 A)
&rst
ixpk= 1982, nxpk= 20, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:1984 46 VAL HA 5.50 (# 1984:20 Single Ambig)
&rst
ixpk= 1984, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 8.43, r4= 9.18,
igr1= 716, 717, 964, 965, 966, 968, 969, 970,1211,1212,
1213, 719, 720,
&end
#
# 0 AMB 20-2:1985 46 VAL HA 5.50 (# 1985:20 Single Ambig)
&rst
ixpk= 1985, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:1986 46 VAL HA 5.50 (# 1986:20 Single Ambig)
&rst
ixpk= 1986, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1125,1126,1127, 377,
&end
#
# 0 AMB 20-2:1987 46 VAL HA 5.50 (# 1987:20 Single Ambig)
&rst
ixpk= 1987, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 91, 856,
&end
#
# 0 AMB 20-2:1988 31 GLU HA 5.50 (# 1988:20 Single Ambig)
&rst
ixpk= 1988, nxpk= 20, iat= -1, 502, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 562, 563, 564, 485, 486,
&end
#
# 30 LYS HN 31 GLU HA 5.50 (# 1989:20 Unique 5.23, 5.36 A)
&rst
ixpk= 1989, nxpk= 20, iat= 478, 502, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 85 GLY HN 14 GLN HA 5.50 (# 1991:20 Unique 2.48, 3.42 A)
&rst
ixpk= 1991, nxpk= 20, iat=1318, 226, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 GLN HE2+ 14 GLN HA 5.50 (# 1992:20 Unique 2.23, 3.64 A)
&rst
ixpk= 1992, nxpk= 20, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 236, 237,
&end
#
# 33 ILE QG2 32 ARG HA 5.50 (# 1994:20 Unique 5.04, 6.10 A)
&rst
ixpk= 1994, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 545, 546, 547,
&end
#
# 35 THR MG2 32 ARG HA 5.50 (# 1995:20 Unique 2.91, 5.46 A)
&rst
ixpk= 1995, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 574, 575, 576,
&end
#
# 0 AMB 20-2:1997 4 TRP HA 5.50 (# 1997:20 Single Ambig)
&rst
ixpk= 1997, nxpk= 20, iat= -1, 48, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 734, 750,
&end
#
# 0 AMB 20-2:1998 47 TYR HA 5.50 (# 1998:20 Single Ambig)
&rst
ixpk= 1998, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 107, 108, 109, 111, 112, 113,1154,1155,1156,1158,
1159,1160,
&end
#
# 0 AMB 20-2:1999 47 TYR HA 5.50 (# 1999:20 Single Ambig)
&rst
ixpk= 1999, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1= 740, 741, 742, 744, 745, 746,1154,1155,1156,1158,
1159,1160,1208,1209,
&end
#
# 0 AMB 20-2:2000 47 TYR HA 5.50 (# 2000:20 Single Ambig)
&rst
ixpk= 2000, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 738,1208,1209,
&end
#
# 72 ALA HN 47 TYR HA 5.50 (# 2003:20 Unique 2.83, 3.90 A)
&rst
ixpk= 2003, nxpk= 20, iat=1121, 752, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 75 LEU HN 49 ASN HA 4.50 (# 2004:20 Unique 2.75, 3.40 A)
&rst
ixpk= 2004, nxpk= 20, iat=1145, 784, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:2005 49 ASN HA 5.50 (# 2005:20 Single Ambig)
&rst
ixpk= 2005, nxpk= 20, iat= -1, 784, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1164, 806,
&end
#
# 85 GLY HN 16 GLU HA 5.50 (# 2006:20 Unique 2.84, 3.86 A)
&rst
ixpk= 2006, nxpk= 20, iat=1318, 260, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2007 16 GLU HA 5.50 (# 2007:20 Single Ambig)
&rst
ixpk= 2007, 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 20-2:2008 16 GLU HA 5.50 (# 2008:20 Single Ambig)
&rst
ixpk= 2008, nxpk= 20, iat= -1, 260, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1300,1301, 265, 266,
&end
#
# 7 VAL MGX 8 ARG HA 5.50 (# 2009:20 Unique 4.02, 6.08 A)
&rst
ixpk= 2009, 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
#
# 8 ARG HD+ 8 ARG HA 5.50 (# 2010:20 Unique 4.17, 4.43 A)
&rst
ixpk= 2010, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 127, 128,
&end
#
# 83 VAL MGX 84 LYS HA 5.50 (# 2012:20 Unique 4.36, 6.17 A)
&rst
ixpk= 2012, nxpk= 20, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 24 ILE QG2 28 GLU HA 5.50 (# 2013:20 Unique 5.21, 6.16 A)
&rst
ixpk= 2013, nxpk= 20, iat= -1, 449, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 379, 380, 381,
&end
#
# 0 AMB 20-2:2014 0 AMB 20-1:2014 5.50 (# 2014:20 Double Ambig)
&rst
ixpk= 2014, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1198, 318, 319,
igr2=1188,1260,
&end
#
# 68 HIS HB+ 68 HIS HA 4.50 (# 2015:20 Unique 2.46, 2.77 A)
&rst
ixpk= 2015, nxpk= 20, iat= -1,1061, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1063,1064,
&end
#
# 33 ILE QD1 34 ALA HA 5.50 (# 2018:20 Unique 5.29, 6.34 A)
&rst
ixpk= 2018, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 552, 553, 554,
&end
#
# 0 AMB 20-2:2019 34 ALA HA 5.50 (# 2019:20 Single Ambig)
&rst
ixpk= 2019, 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
#
# 38 PRO HB+ 34 ALA HA 5.50 (# 2020:20 Unique 3.16, 5.38 A)
&rst
ixpk= 2020, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 615, 616,
&end
#
# 38 PRO HA 34 ALA HA 4.50 (# 2021:20 Unique 2.51, 3.29 A)
&rst
ixpk= 2021, nxpk= 20, iat= 618, 560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 ALA HN 36 ALA HA 4.50 (# 2024:20 Unique 2.87, 2.91 A)
&rst
ixpk= 2024, nxpk= 20, iat= 582, 584, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:2025 70 GLU HA 5.50 (# 2025:20 Single Ambig)
&rst
ixpk= 2025, nxpk= 20, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 912, 913, 912, 913,
&end
#
# 40 LYS HA 39 ASP HA 5.50 (# 2026:20 Unique 4.29, 4.46 A)
&rst
ixpk= 2026, nxpk= 20, iat= 636, 624, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2027 72 ALA HA 5.50 (# 2027:20 Single Ambig)
&rst
ixpk= 2027, nxpk= 20, iat= -1,1123, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 722, 723, 719, 720,
&end
#
# 0 AMB 20-2:2028 72 ALA HA 5.50 (# 2028:20 Single Ambig)
&rst
ixpk= 2028, nxpk= 20, iat= -1,1123, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1099,1100,1099,1100,
&end
#
# 0 AMB 20-2:2031 21 ALA HA 5.50 (# 2031:20 Single Ambig)
&rst
ixpk= 2031, nxpk= 20, iat= -1, 332, 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
#
# 5 ILE QD1 21 ALA HA 5.50 (# 2032:20 Unique 4.46, 6.13 A)
&rst
ixpk= 2032, nxpk= 20, iat= -1, 332, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 83, 84, 85,
&end
#
# 0 AMB 20-2:2033 21 ALA HA 5.50 (# 2033:20 Single Ambig)
&rst
ixpk= 2033, nxpk= 20, iat= -1, 332, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 346, 347, 348, 353, 354, 355,
&end
#
# 22 ILE HG1+ 21 ALA HA 5.50 (# 2034:20 Unique 3.08, 4.22 A)
&rst
ixpk= 2034, nxpk= 20, iat= -1, 332, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 350, 351,
&end
#
# 0 AMB 20-2:2035 21 ALA HA 5.50 (# 2035:20 Single Ambig)
&rst
ixpk= 2035, nxpk= 20, iat= -1, 332, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 350, 351, 294,
&end
#
# 6 ASP HN 21 ALA HA 5.50 (# 2037:20 Unique 3.92, 4.31 A)
&rst
ixpk= 2037, nxpk= 20, iat= 89, 332, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2038 6 ASP HA 5.50 (# 2038:20 Single Ambig)
&rst
ixpk= 2038, nxpk= 20, iat= -1, 91, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 334, 335, 336, 74, 124, 125, 124, 125,
&end
#
# 8 ARG HN 6 ASP HA 5.50 (# 2039:20 Unique 3.59, 4.05 A)
&rst
ixpk= 2039, nxpk= 20, iat= 117, 91, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 25 PRO HD- 0 AMB 20-1:2040 5.50 (# 2040:20 Single Ambig)
&rst
ixpk= 2040, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 393, 394,
igr2= 158, 159, 158, 159,
&end
#
# 9 VAL HN 0 AMB 20-1:2041 5.50 (# 2041:20 Single Ambig)
&rst
ixpk= 2041, nxpk= 20, iat= 141, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 158, 159, 158, 159,
&end
#
# 0 AMB 20-2:2042 79 ALA HA 5.50 (# 2042:20 Single Ambig)
&rst
ixpk= 2042, nxpk= 20, iat= -1,1219, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1231,1232,1265,1266,1208,1209,
&end
#
# 80 MET HG+ 79 ALA HA 5.50 (# 2043:20 Unique 4.61, 5.41 A)
&rst
ixpk= 2043, nxpk= 20, iat= -1,1219, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1234,1235,
&end
#
# 82 LYS HE+ 79 ALA HA 5.50 (# 2044:20 Unique 3.38, 5.86 A)
&rst
ixpk= 2044, nxpk= 20, iat= -1,1219, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1271,1272,
&end
#
# 81 PRO HA 81 PRO HD- 5.50 (# 2045:20 Unique 3.40, 3.77 A)
&rst
ixpk= 2045, nxpk= 20, iat=1254, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1245,1246,
&end
#
# 80 MET HN 81 PRO HD- 5.50 (# 2046:20 Unique 4.62, 4.95 A)
&rst
ixpk= 2046, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1245,1246,
&end
#
# 19 GLN HN 81 PRO HD- 5.50 (# 2047:20 Unique 3.99, 5.20 A)
&rst
ixpk= 2047, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1245,1246,
&end
#
# 0 AMB 20-2:2048 0 AMB 20-1:2048 5.50 (# 2048:20 Double Ambig)
&rst
ixpk= 2048, 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=1245,1246,1245,1246,
&end
#
# 81 PRO HA 81 PRO HD+ 5.50 (# 2049:20 Unique 3.40, 3.77 A)
&rst
ixpk= 2049, nxpk= 20, iat=1254, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1245,1246,
&end
#
# 24 ILE HG1+ 25 PRO HD+ 5.50 (# 2050:20 Unique 4.64, 5.23 A)
&rst
ixpk= 2050, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 383, 384,
igr2= 393, 394,
&end
#
# 23 ASN HD2- 25 PRO HD+ 5.50 (# 2051:20 Unique 3.27, 4.76 A)
&rst
ixpk= 2051, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 393, 394,
&end
#
# 23 ASN HD2+ 25 PRO HD+ 5.50 (# 2052:20 Unique 3.27, 4.76 A)
&rst
ixpk= 2052, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 393, 394,
&end
#
# 0 AMB 20-2:2053 0 AMB 20-1:2053 5.50 (# 2053:20 Double Ambig)
&rst
ixpk= 2053, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 373, 462,
igr2= 393, 394, 393, 394,
&end
#
# 0 AMB 20-2:2054 38 PRO HD- 5.50 (# 2054:20 Single Ambig)
&rst
ixpk= 2054, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 574, 575, 576, 586, 587, 588, 549, 550,
igr2= 609, 610,
&end
#
# 0 AMB 20-2:2055 0 AMB 20-1:2055 5.50 (# 2055:20 Double Ambig)
&rst
ixpk= 2055, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1= 586, 587, 588, 549, 550,
igr2= 609, 610, 609, 610,
&end
#
# 46 VAL MGX 55 GLY HA- 5.50 (# 2056:20 Unique 4.23, 6.96 A)
&rst
ixpk= 2056, 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= 867, 868,
&end
#
# 58 LYS HG+ 55 GLY HA- 5.50 (# 2057:20 Unique 4.04, 5.58 A)
&rst
ixpk= 2057, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 906, 907,
igr2= 867, 868,
&end
#
# 0 AMB 20-2:2058 55 GLY HA- 5.50 (# 2058:20 Single Ambig)
&rst
ixpk= 2058, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 909, 910, 820, 821,
igr2= 867, 868,
&end
#
# 71 ASN HB+ 55 GLY HA- 5.50 (# 2059:20 Unique 2.29, 4.12 A)
&rst
ixpk= 2059, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1111,1112,
igr2= 867, 868,
&end
#
# 46 VAL MGX 55 GLY HA+ 5.50 (# 2061:20 Unique 4.23, 6.96 A)
&rst
ixpk= 2061, 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= 867, 868,
&end
#
# 0 AMB 20-2:2062 0 AMB 20-1:2062 5.50 (# 2062:20 Double Ambig)
&rst
ixpk= 2062, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 909, 910, 820, 821,
igr2= 867, 868, 867, 868,
&end
#
# 71 ASN HB+ 55 GLY HA+ 5.50 (# 2063:20 Unique 2.29, 4.12 A)
&rst
ixpk= 2063, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1111,1112,
igr2= 867, 868,
&end
#
# 52 ARG HA 55 GLY HA+ 5.50 (# 2064:20 Unique 3.20, 4.31 A)
&rst
ixpk= 2064, nxpk= 20, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 867, 868,
&end
#
# 0 AMB 20-2:2065 0 AMB 20-1:2065 5.50 (# 2065:20 Double Ambig)
&rst
ixpk= 2065, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1303,1304,1303,1304,
igr2=1320,1321,1320,1321,
&end
#
# 0 AMB 20-2:2066 0 AMB 20-1:2066 5.50 (# 2066:20 Double Ambig)
&rst
ixpk= 2066, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1300,1301,1306,1307,1306,1307,
igr2=1320,1321,1320,1321,1320,1321,
&end
#
# 84 LYS HB+ 85 GLY HA+ 5.50 (# 2067:20 Unique 4.27, 5.19 A)
&rst
ixpk= 2067, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1300,1301,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:2068 0 AMB 20-1:2068 5.50 (# 2068:20 Double Ambig)
&rst
ixpk= 2068, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 231, 232, 231, 232,
igr2=1320,1321,1320,1321,
&end
#
# 14 GLN HE2+ 85 GLY HA+ 5.50 (# 2069:20 Unique 3.21, 5.42 A)
&rst
ixpk= 2069, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 236, 237,
igr2=1320,1321,
&end
#
# 83 VAL MGY 85 GLY HA- 5.50 (# 2070:20 Unique 4.79, 7.96 A)
&rst
ixpk= 2070, 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=1320,1321,
&end
#
# 0 AMB 20-2:2071 85 GLY HA- 5.50 (# 2071:20 Single Ambig)
&rst
ixpk= 2071, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1303,1304,1303,1304,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:2072 85 GLY HA- 5.50 (# 2072:20 Single Ambig)
&rst
ixpk= 2072, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1300,1301,1306,1307,1306,1307,
igr2=1320,1321,
&end
#
# 84 LYS HB+ 85 GLY HA- 5.50 (# 2073:20 Unique 4.27, 5.19 A)
&rst
ixpk= 2073, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1300,1301,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:2074 85 GLY HA- 5.50 (# 2074:20 Single Ambig)
&rst
ixpk= 2074, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 231, 232, 231, 232,
igr2=1320,1321,
&end
#
# 14 GLN HE2- 85 GLY HA- 5.50 (# 2075:20 Unique 3.21, 5.42 A)
&rst
ixpk= 2075, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 236, 237,
igr2=1320,1321,
&end
#
# 14 GLN HE2+ 85 GLY HA- 5.50 (# 2076:20 Unique 3.21, 5.42 A)
&rst
ixpk= 2076, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 236, 237,
igr2=1320,1321,
&end
#
# 72 ALA HN 73 GLY HA+ 5.50 (# 2077:20 Unique 4.54, 5.15 A)
&rst
ixpk= 2077, nxpk= 20, iat=1121, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1133,1134,
&end
#
# 72 ALA HN 73 GLY HA- 5.50 (# 2078:20 Unique 4.54, 5.15 A)
&rst
ixpk= 2078, nxpk= 20, iat=1121, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1133,1134,
&end
#
# 0 AMB 20-2:2079 0 AMB 20-1:2079 5.50 (# 2079:20 Double Ambig)
&rst
ixpk= 2079, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1= 800, 801, 802, 820, 821,1149,1150,
igr2= 808, 809, 808, 809, 808, 809,
&end
#
# 0 AMB 20-2:2081 51 GLY HA- 5.50 (# 2081:20 Single Ambig)
&rst
ixpk= 2081, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 800, 801, 802,1149,1150,
igr2= 808, 809,
&end
#
# 0 AMB 20-2:2082 20 GLY HA- 5.50 (# 2082:20 Single Ambig)
&rst
ixpk= 2082, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 310, 311, 334, 335, 336,
igr2= 325, 326,
&end
#
# 21 ALA HA 20 GLY HA- 5.50 (# 2083:20 Unique 4.45, 4.67 A)
&rst
ixpk= 2083, nxpk= 20, iat= 332, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 325, 326,
&end
#
# 0 AMB 20-2:2084 0 AMB 20-1:2084 5.50 (# 2084:20 Double Ambig)
&rst
ixpk= 2084, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1=1168,1169, 334, 335, 336,1208,1209,
igr2=1140,1141, 325, 326,1140,1141,
&end
#
# 19 GLN HE2+ 20 GLY HA+ 5.50 (# 2085:20 Unique 2.79, 3.91 A)
&rst
ixpk= 2085, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 318, 319,
igr2= 325, 326,
&end
#
# 0 AMB 20-2:2088 65 GLY HA- 5.50 (# 2088:20 Single Ambig)
&rst
ixpk= 2088, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 647, 648, 647, 648,
igr2=1019,1020,
&end
#
# 0 AMB 20-2:2089 74 GLY HA- 5.50 (# 2089:20 Single Ambig)
&rst
ixpk= 2089, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 806,1164,
igr2=1140,1141,
&end
#
# 78 ILE QD1 74 GLY HA+ 5.50 (# 2090:20 Unique 4.08, 5.55 A)
&rst
ixpk= 2090, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1211,1212,1213,
igr2=1140,1141,
&end
#
# 75 LEU HB+ 74 GLY HA+ 5.50 (# 2091:20 Unique 4.25, 4.90 A)
&rst
ixpk= 2091, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1149,1150,
igr2=1140,1141,
&end
#
# 76 LYS HN 74 GLY HA+ 4.50 (# 2092:20 Unique 3.20, 3.96 A)
&rst
ixpk= 2092, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1140,1141,
&end
#
# 0 AMB 20-2:2093 74 GLY HA- 5.50 (# 2093:20 Single Ambig)
&rst
ixpk= 2093, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1171,1172,1171,1172,
igr2=1140,1141,
&end
#
# 49 ASN HA 0 AMB 20-1:2094 5.50 (# 2094:20 Single Ambig)
&rst
ixpk= 2094, nxpk= 20, iat= 784, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 127, 128,1140,1141,
&end
#
# 49 ASN HA 8 ARG HD- 5.50 (# 2095:20 Unique 3.22, 4.72 A)
&rst
ixpk= 2095, nxpk= 20, iat= 784, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 127, 128,
&end
#
# 8 ARG HA 8 ARG HD- 5.50 (# 2096:20 Unique 4.17, 4.43 A)
&rst
ixpk= 2096, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 127, 128,
&end
#
# 32 ARG HN 32 ARG HD- 5.50 (# 2097:20 Unique 3.68, 4.44 A)
&rst
ixpk= 2097, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 525, 526,
&end
#
# 32 ARG HN 32 ARG HD+ 5.50 (# 2101:20 Unique 3.68, 4.44 A)
&rst
ixpk= 2101, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 525, 526,
&end
#
# 23 ASN HB- 6 ASP HB+ 5.50 (# 2102:20 Unique 3.03, 4.84 A)
&rst
ixpk= 2102, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 363, 364,
igr2= 93, 94,
&end
#
# 5 ILE QG2 6 ASP HB+ 5.50 (# 2103:20 Unique 4.52, 5.89 A)
&rst
ixpk= 2103, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 76, 77, 78,
igr2= 93, 94,
&end
#
# 23 ASN HB+ 6 ASP HB+ 5.50 (# 2105:20 Unique 3.03, 4.84 A)
&rst
ixpk= 2105, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 363, 364,
igr2= 93, 94,
&end
#
# 23 ASN HB- 6 ASP HB- 5.50 (# 2106:20 Unique 3.03, 4.84 A)
&rst
ixpk= 2106, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 363, 364,
igr2= 93, 94,
&end
#
# 0 AMB 20-2:2107 0 AMB 20-1:2107 5.50 (# 2107:20 Double Ambig)
&rst
ixpk= 2107, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1=1154,1155,1156,1158,1159,1160,1208,1209,
igr2= 754, 755, 754, 755,
&end
#
# 72 ALA HN 47 TYR HB- 5.50 (# 2108:20 Unique 3.28, 4.55 A)
&rst
ixpk= 2108, nxpk= 20, iat=1121, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 754, 755,
&end
#
# 7 VAL MGX 26 LEU HB+ 5.50 (# 2109:20 Unique 3.10, 5.87 A)
&rst
ixpk= 2109, 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 20-2:2110 0 AMB 20-1:2110 5.50 (# 2110:20 Double Ambig)
&rst
ixpk= 2110, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 402, 856,
igr2= 410, 411, 410, 411,
&end
#
# 0 AMB 20-2:2111 26 LEU HB- 5.50 (# 2111:20 Single Ambig)
&rst
ixpk= 2111, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 402, 856,
igr2= 410, 411,
&end
#
# 26 LEU HA 26 LEU HB- 4.50 (# 2112:20 Unique 2.41, 2.75 A)
&rst
ixpk= 2112, nxpk= 20, iat= 408, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 410, 411,
&end
#
# 75 LEU HA 82 LYS HE- 5.50 (# 2113:20 Unique 4.12, 4.99 A)
&rst
ixpk= 2113, nxpk= 20, iat=1147, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1271,1272,
&end
#
# 80 MET HN 82 LYS HE- 5.50 (# 2114:20 Unique 3.48, 4.79 A)
&rst
ixpk= 2114, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1271,1272,
&end
#
# 40 LYS HN 0 AMB 20-1:2115 5.50 (# 2115:20 Single Ambig)
&rst
ixpk= 2115, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 647, 648, 647, 648,
&end
#
# 70 GLU HB- 45 LYS HE+ 5.50 (# 2116:20 Unique 3.45, 5.26 A)
&rst
ixpk= 2116, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1096,1097,
igr2= 725, 726,
&end
#
# 70 GLU HB- 45 LYS HE- 5.50 (# 2117:20 Unique 3.45, 5.26 A)
&rst
ixpk= 2117, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1096,1097,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:2118 45 LYS HE- 5.50 (# 2118:20 Single Ambig)
&rst
ixpk= 2118, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 18, 19, 18, 19,
igr2= 725, 726,
&end
#
# 78 ILE QD1 75 LEU HB+ 5.50 (# 2120:20 Unique 4.22, 6.15 A)
&rst
ixpk= 2120, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1211,1212,1213,
igr2=1149,1150,
&end
#
# 74 GLY HA+ 75 LEU HB+ 5.50 (# 2121:20 Unique 4.25, 4.90 A)
&rst
ixpk= 2121, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1140,1141,
igr2=1149,1150,
&end
#
# 49 ASN HA 75 LEU HB+ 5.50 (# 2122:20 Unique 2.27, 3.38 A)
&rst
ixpk= 2122, nxpk= 20, iat= 784, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1149,1150,
&end
#
# 78 ILE QD1 75 LEU HB- 5.50 (# 2124:20 Unique 4.22, 6.15 A)
&rst
ixpk= 2124, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1211,1212,1213,
igr2=1149,1150,
&end
#
# 74 GLY HA+ 75 LEU HB- 5.50 (# 2125:20 Unique 4.25, 4.90 A)
&rst
ixpk= 2125, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1140,1141,
igr2=1149,1150,
&end
#
# 49 ASN HA 75 LEU HB- 5.50 (# 2126:20 Unique 2.27, 3.38 A)
&rst
ixpk= 2126, nxpk= 20, iat= 784, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1149,1150,
&end
#
# 78 ILE HN 77 ASP HB+ 5.50 (# 2131:20 Unique 2.75, 3.57 A)
&rst
ixpk= 2131, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1190,1191,
&end
#
# 0 AMB 20-2:2132 0 AMB 20-1:2132 5.50 (# 2132:20 Double Ambig)
&rst
ixpk= 2132, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1026, 976,
igr2= 959, 960, 959, 960,
&end
#
# 0 AMB 20-2:2133 61 LEU HB- 5.50 (# 2133:20 Single Ambig)
&rst
ixpk= 2133, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1026, 976,
igr2= 959, 960,
&end
#
# 66 TYR HN 61 LEU HB- 5.50 (# 2134:20 Unique 3.64, 4.66 A)
&rst
ixpk= 2134, nxpk= 20, iat=1024, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 959, 960,
&end
#
# 37 VAL MGX 42 ASP HB+ 5.50 (# 2136:20 Unique 2.34, 4.96 A)
&rst
ixpk= 2136, 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= 674, 675,
&end
#
# 44 VAL MGY 42 ASP HB+ 5.50 (# 2137:20 Unique 3.08, 7.07 A)
&rst
ixpk= 2137, 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
#
# 0 AMB 20-2:2139 0 AMB 20-1:2139 4.50 (# 2139:20 Double Ambig)
&rst
ixpk= 2139, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 682, 29,
igr2= 674, 675, 674, 675,
&end
#
# 37 VAL MGX 42 ASP HB- 5.50 (# 2140:20 Unique 2.34, 4.96 A)
&rst
ixpk= 2140, 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= 674, 675,
&end
#
# 37 VAL MGY 39 ASP HB- 5.50 (# 2141:20 Unique 2.57, 6.91 A)
&rst
ixpk= 2141, 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= 626, 627,
&end
#
# 42 ASP HN 39 ASP HB- 5.50 (# 2142:20 Unique 3.43, 4.47 A)
&rst
ixpk= 2142, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 626, 627,
&end
#
# 41 ASN HN 39 ASP HB- 5.50 (# 2143:20 Unique 3.22, 4.45 A)
&rst
ixpk= 2143, nxpk= 20, iat= 656, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 626, 627,
&end
#
# 0 AMB 20-2:2144 0 AMB 20-1:2144 5.50 (# 2144:20 Double Ambig)
&rst
ixpk= 2144, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 672, 624,1026,
igr2= 660, 661, 660, 661, 660, 661,
&end
#
# 0 AMB 20-2:2145 41 ASN HB- 5.50 (# 2145:20 Single Ambig)
&rst
ixpk= 2145, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 672, 624,1026,
igr2= 660, 661,
&end
#
# 49 ASN HN 49 ASN HB+ 5.50 (# 2147:20 Unique 2.28, 2.61 A)
&rst
ixpk= 2147, nxpk= 20, iat= 782, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 786, 787,
&end
#
# 49 ASN HN 49 ASN HB- 5.50 (# 2148:20 Unique 2.28, 2.61 A)
&rst
ixpk= 2148, nxpk= 20, iat= 782, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 786, 787,
&end
#
# 78 ILE QG2 78 ILE HB 2.80 (# 2149:20 Unique 2.39, 2.67 A)
&rst
ixpk= 2149, nxpk= 20, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1204,1205,1206,
&end
#
# 80 MET HN 78 ILE HB 5.50 (# 2150:20 Unique 3.33, 3.81 A)
&rst
ixpk= 2150, nxpk= 20, iat=1227,1202, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 ALA HN 78 ILE HB 5.50 (# 2151:20 Unique 3.54, 4.25 A)
&rst
ixpk= 2151, nxpk= 20, iat=1217,1202, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 ILE HA 23 ASN HB+ 5.50 (# 2152:20 Unique 4.45, 4.62 A)
&rst
ixpk= 2152, nxpk= 20, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 363, 364,
&end
#
# 23 ASN HD2+ 23 ASN HB+ 5.50 (# 2154:20 Unique 2.42, 3.50 A)
&rst
ixpk= 2154, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 363, 364,
&end
#
# 0 AMB 20-2:2155 0 AMB 20-1:2155 5.50 (# 2155:20 Double Ambig)
&rst
ixpk= 2155, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 373, 186,
igr2= 363, 364, 363, 364,
&end
#
# 22 ILE HA 23 ASN HB- 5.50 (# 2157:20 Unique 4.45, 4.62 A)
&rst
ixpk= 2157, nxpk= 20, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 363, 364,
&end
#
# 33 ILE HG1+ 33 ILE HB 2.80 (# 2158:20 Unique 2.47, 2.78 A)
&rst
ixpk= 2158, nxpk= 20, iat= -1, 543, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 549, 550,
&end
#
# 23 ASN HB- 13 TYR HB+ 5.50 (# 2159:20 Unique 2.53, 4.63 A)
&rst
ixpk= 2159, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 363, 364,
igr2= 207, 208,
&end
#
# 23 ASN HB+ 13 TYR HB+ 5.50 (# 2160:20 Unique 2.53, 4.63 A)
&rst
ixpk= 2160, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 363, 364,
igr2= 207, 208,
&end
#
# 0 AMB 20-2:2161 0 AMB 20-1:2161 5.50 (# 2161:20 Double Ambig)
&rst
ixpk= 2161, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1= 226, 158, 159, 158, 159,
igr2= 207, 208, 207, 208, 207, 208,
&end
#
# 23 ASN HD2- 13 TYR HB+ 5.50 (# 2162:20 Unique 2.88, 4.87 A)
&rst
ixpk= 2162, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 207, 208,
&end
#
# 23 ASN HD2- 13 TYR HB- 5.50 (# 2163:20 Unique 2.88, 4.87 A)
&rst
ixpk= 2163, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 207, 208,
&end
#
# 0 AMB 20-2:2164 13 TYR HB- 5.50 (# 2164:20 Single Ambig)
&rst
ixpk= 2164, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 361, 275,
igr2= 207, 208,
&end
#
# 0 AMB 20-2:2165 13 TYR HB- 5.50 (# 2165:20 Single Ambig)
&rst
ixpk= 2165, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 226, 158, 159, 158, 159,
igr2= 207, 208,
&end
#
# 23 ASN HB+ 13 TYR HB- 5.50 (# 2166:20 Unique 2.53, 4.63 A)
&rst
ixpk= 2166, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 363, 364,
igr2= 207, 208,
&end
#
# 0 AMB 20-2:2167 13 TYR HB- 5.50 (# 2167:20 Single Ambig)
&rst
ixpk= 2167, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 228, 229, 161, 162,
igr2= 207, 208,
&end
#
# 23 ASN HB- 13 TYR HB- 5.50 (# 2168:20 Unique 2.53, 4.63 A)
&rst
ixpk= 2168, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 363, 364,
igr2= 207, 208,
&end
#
# 46 VAL MGX 71 ASN HB+ 5.50 (# 2169:20 Unique 2.62, 6.05 A)
&rst
ixpk= 2169, 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=1111,1112,
&end
#
# 55 GLY HA+ 71 ASN HB+ 5.50 (# 2170:20 Unique 2.29, 4.12 A)
&rst
ixpk= 2170, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 867, 868,
igr2=1111,1112,
&end
#
# 72 ALA HN 71 ASN HB+ 5.50 (# 2171:20 Unique 4.25, 4.40 A)
&rst
ixpk= 2171, nxpk= 20, iat=1121, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1111,1112,
&end
#
# 58 LYS HG- 71 ASN HB- 5.50 (# 2172:20 Unique 2.51, 4.33 A)
&rst
ixpk= 2172, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 906, 907,
igr2=1111,1112,
&end
#
# 16 GLU HN 16 GLU HG+ 5.50 (# 2173:20 Unique 2.84, 4.01 A)
&rst
ixpk= 2173, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 265, 266,
&end
#
# 16 GLU HN 16 GLU HG- 5.50 (# 2174:20 Unique 2.84, 4.01 A)
&rst
ixpk= 2174, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 265, 266,
&end
#
# 28 GLU HA 0 AMB 20-1:2175 5.50 (# 2175:20 Single Ambig)
&rst
ixpk= 2175, nxpk= 20, iat= 449, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 507, 508, 507, 508,
&end
#
# 29 VAL HN 28 GLU HG+ 5.50 (# 2176:20 Unique 4.30, 4.89 A)
&rst
ixpk= 2176, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 454, 455,
&end
#
# 82 LYS HE- 82 LYS HB+ 5.50 (# 2178:20 Unique 4.26, 4.70 A)
&rst
ixpk= 2178, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1271,1272,
igr2=1262,1263,
&end
#
# 82 LYS HE+ 82 LYS HB+ 5.50 (# 2179:20 Unique 4.26, 4.70 A)
&rst
ixpk= 2179, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1271,1272,
igr2=1262,1263,
&end
#
# 18 VAL HA 82 LYS HB+ 5.50 (# 2180:20 Unique 3.45, 4.32 A)
&rst
ixpk= 2180, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1262,1263,
&end
#
# 0 AMB 20-2:2181 0 AMB 20-1:2181 5.50 (# 2181:20 Double Ambig)
&rst
ixpk= 2181, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1254,1282,
igr2=1262,1263,1262,1263,
&end
#
# 0 AMB 20-2:2182 0 AMB 20-1:2182 5.50 (# 2182:20 Double Ambig)
&rst
ixpk= 2182, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 638, 639, 962,
igr2=1028,1029,1028,1029,
&end
#
# 0 AMB 20-2:2183 0 AMB 20-1:2183 5.50 (# 2183:20 Double Ambig)
&rst
ixpk= 2183, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 957, 978, 979,1047,
igr2=1028,1029,1028,1029,1028,1029,
&end
#
# 0 AMB 20-2:2186 66 TYR HB- 5.50 (# 2186:20 Single Ambig)
&rst
ixpk= 2186, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 638, 639, 962,
igr2=1028,1029,
&end
#
# 0 AMB 20-2:2187 0 AMB 20-1:2187 4.50 (# 2187:20 Double Ambig)
&rst
ixpk= 2187, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 938, 867, 868,
igr2= 928, 929, 992, 993,
&end
#
# 17 HIS HN 82 LYS HB+ 5.50 (# 2188:20 Unique 2.92, 4.31 A)
&rst
ixpk= 2188, nxpk= 20, iat= 273, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1262,1263,
&end
#
# 17 HIS HN 82 LYS HB- 5.50 (# 2189:20 Unique 2.92, 4.31 A)
&rst
ixpk= 2189, nxpk= 20, iat= 273, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1262,1263,
&end
#
# 82 LYS HE- 82 LYS HB- 5.50 (# 2190:20 Unique 4.26, 4.70 A)
&rst
ixpk= 2190, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1271,1272,
igr2=1262,1263,
&end
#
# 82 LYS HE+ 82 LYS HB- 5.50 (# 2191:20 Unique 4.26, 4.70 A)
&rst
ixpk= 2191, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1271,1272,
igr2=1262,1263,
&end
#
# 18 VAL HA 82 LYS HB- 5.50 (# 2192:20 Unique 3.45, 4.32 A)
&rst
ixpk= 2192, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1262,1263,
&end
#
# 0 AMB 20-2:2193 82 LYS HB- 5.50 (# 2193:20 Single Ambig)
&rst
ixpk= 2193, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1254,1282,
igr2=1262,1263,
&end
#
# 58 LYS HN 59 GLU HG+ 5.50 (# 2194:20 Unique 4.24, 5.42 A)
&rst
ixpk= 2194, nxpk= 20, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 928, 929,
&end
#
# 53 GLN HE2- 53 GLN HG+ 5.50 (# 2196:20 Unique 2.26, 3.37 A)
&rst
ixpk= 2196, 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 20-2:2198 0 AMB 20-1:2198 5.50 (# 2198:20 Double Ambig)
&rst
ixpk= 2198, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1109, 714,
igr2=1099,1100,1099,1100,
&end
#
# 0 AMB 20-2:2199 0 AMB 20-1:2199 5.50 (# 2199:20 Double Ambig)
&rst
ixpk= 2199, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1078,1061,
igr2=1099,1100,1099,1100,
&end
#
# 71 ASN HN 0 AMB 20-1:2200 5.50 (# 2200:20 Single Ambig)
&rst
ixpk= 2200, nxpk= 20, iat=1107, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1099,1100,1099,1100,
&end
#
# 70 GLU HB- 70 GLU HG+ 3.50 (# 2201:20 Unique 2.27, 2.71 A)
&rst
ixpk= 2201, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1096,1097,
igr2=1099,1100,
&end
#
# 61 LEU MDX 64 MET HB+ 5.50 (# 2202:20 Unique 3.11, 5.76 A)
&rst
ixpk= 2202, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 964, 965, 966, 968, 969, 970,
igr2=1004,1005,
&end
#
# 0 AMB 20-2:2205 0 AMB 20-1:2205 5.50 (# 2205:20 Double Ambig)
&rst
ixpk= 2205, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.17, r4=10.92,
igr1= 147, 148, 149, 151, 152, 153, 959, 960, 644, 645,
igr2= 193, 194,1004,1005,
&end
#
# 23 ASN HD2- 12 GLN HG- 5.50 (# 2206:20 Unique 3.53, 4.62 A)
&rst
ixpk= 2206, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 193, 194,
&end
#
# 66 TYR HN 64 MET HB- 5.50 (# 2207:20 Unique 3.04, 4.03 A)
&rst
ixpk= 2207, nxpk= 20, iat=1024, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1004,1005,
&end
#
# 83 VAL HA 84 LYS HB- 5.50 (# 2208:20 Unique 4.11, 5.11 A)
&rst
ixpk= 2208, nxpk= 20, iat=1282, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1300,1301,
&end
#
# 19 GLN HA 83 VAL HB 5.50 (# 2209:20 Unique 4.10, 5.15 A)
&rst
ixpk= 2209, nxpk= 20, iat= 308,1284, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2210 46 VAL HB 5.50 (# 2210:20 Single Ambig)
&rst
ixpk= 2210, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 70,1121,
&end
#
# 19 GLN HE2- 19 GLN HG+ 5.50 (# 2211:20 Unique 2.24, 3.42 A)
&rst
ixpk= 2211, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 318, 319,
igr2= 313, 314,
&end
#
# 83 VAL MGX 19 GLN HG- 4.50 (# 2212:20 Unique 2.47, 4.49 A)
&rst
ixpk= 2212, 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
#
# 20 GLY HA+ 19 GLN HG- 5.50 (# 2213:20 Unique 3.72, 5.59 A)
&rst
ixpk= 2213, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 325, 326,
igr2= 313, 314,
&end
#
# 83 VAL HN 19 GLN HG- 5.50 (# 2214:20 Unique 3.29, 5.48 A)
&rst
ixpk= 2214, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 313, 314,
&end
#
# 0 AMB 20-2:2215 70 GLU HB- 5.50 (# 2215:20 Single Ambig)
&rst
ixpk= 2215, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1078,1061,
igr2=1096,1097,
&end
#
# 46 VAL HN 70 GLU HB- 5.50 (# 2216:20 Unique 3.90, 5.06 A)
&rst
ixpk= 2216, nxpk= 20, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1096,1097,
&end
#
# 81 PRO HD- 80 MET HG+ 5.50 (# 2217:20 Unique 3.39, 4.68 A)
&rst
ixpk= 2217, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1245,1246,
igr2=1234,1235,
&end
#
# 27 LYS HN 25 PRO HB+ 5.50 (# 2218:20 Unique 2.86, 3.40 A)
&rst
ixpk= 2218, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 399, 400,
&end
#
# 61 LEU MDX 64 MET HG- 5.50 (# 2219:20 Unique 2.76, 6.24 A)
&rst
ixpk= 2219, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 964, 965, 966, 968, 969, 970,
igr2=1007,1008,
&end
#
# 45 LYS HN 3 HIS HB+ 5.50 (# 2220:20 Unique 4.03, 4.72 A)
&rst
ixpk= 2220, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 33, 34,
&end
#
# 46 VAL HN 45 LYS HB+ 5.50 (# 2221:20 Unique 3.37, 4.06 A)
&rst
ixpk= 2221, nxpk= 20, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 716, 717,
&end
#
# 39 ASP HN 38 PRO HB+ 5.50 (# 2224:20 Unique 2.77, 3.92 A)
&rst
ixpk= 2224, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 615, 616,
&end
#
# 0 AMB 20-2:2225 10 PRO HB- 4.50 (# 2225:20 Single Ambig)
&rst
ixpk= 2225, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 145, 193, 194,
igr2= 164, 165,
&end
#
# 42 ASP HB- 37 VAL HB 5.50 (# 2226:20 Unique 4.26, 5.83 A)
&rst
ixpk= 2226, nxpk= 20, iat= -1, 596, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 674, 675,
&end
#
# 0 AMB 20-2:2227 0 AMB 20-1:2227 5.50 (# 2227:20 Double Ambig)
&rst
ixpk= 2227, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 626, 627, 626, 627,
igr2= 615, 616, 596,
&end
#
# 39 ASP HN 38 PRO HB- 4.50 (# 2228:20 Unique 2.77, 3.92 A)
&rst
ixpk= 2228, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 615, 616,
&end
#
# 0 AMB 20-2:2229 0 AMB 20-1:2229 5.50 (# 2229:20 Double Ambig)
&rst
ixpk= 2229, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1= 368, 369, 582,
igr2= 164, 165, 596, 615, 616,
&end
#
# 29 VAL HN 0 AMB 20-1:2231 5.50 (# 2231:20 Single Ambig)
&rst
ixpk= 2231, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 482, 483, 429, 430,
&end
#
# 4 TRP HE1 0 AMB 20-1:2232 5.50 (# 2232:20 Single Ambig)
&rst
ixpk= 2232, nxpk= 20, iat= 56, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 18, 19, 18, 19,
&end
#
# 72 ALA MB 45 LYS HB- 5.50 (# 2234:20 Unique 2.22, 4.74 A)
&rst
ixpk= 2234, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1125,1126,1127,
igr2= 716, 717,
&end
#
# 18 VAL MGY 17 HIS HB+ 5.50 (# 2235:20 Unique 4.76, 6.96 A)
&rst
ixpk= 2235, 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= 277, 278,
&end
#
# 0 AMB 20-2:2236 0 AMB 20-1:2236 5.50 (# 2236:20 Double Ambig)
&rst
ixpk= 2236, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=1154,1155,1156,1158,1159,1160,1286,1287,1288,1290,
1291,1292,
igr2= 277, 278, 277, 278,
&end
#
# 0 AMB 20-2:2237 0 AMB 20-1:2237 5.50 (# 2237:20 Double Ambig)
&rst
ixpk= 2237, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 294,1262,1263,
igr2= 277, 278, 277, 278,
&end
#
# 17 HIS HN 17 HIS HB+ 5.50 (# 2239:20 Unique 2.33, 3.49 A)
&rst
ixpk= 2239, nxpk= 20, iat= 273, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 277, 278,
&end
#
# 0 AMB 20-2:2242 17 HIS HB- 5.50 (# 2242:20 Single Ambig)
&rst
ixpk= 2242, 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= 277, 278,
&end
#
# 0 AMB 20-2:2243 17 HIS HB- 5.50 (# 2243:20 Single Ambig)
&rst
ixpk= 2243, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1154,1155,1156,1158,1159,1160,1286,1287,1288,1290,
1291,1292,
igr2= 277, 278,
&end
#
# 0 AMB 20-2:2244 17 HIS HB- 5.50 (# 2244:20 Single Ambig)
&rst
ixpk= 2244, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 294,1262,1263,
igr2= 277, 278,
&end
#
# 0 AMB 20-2:2245 17 HIS HB- 5.50 (# 2245:20 Single Ambig)
&rst
ixpk= 2245, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 193, 194, 93, 94,
igr2= 277, 278,
&end
#
# 17 HIS HN 17 HIS HB- 5.50 (# 2247:20 Unique 2.33, 3.49 A)
&rst
ixpk= 2247, nxpk= 20, iat= 273, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 277, 278,
&end
#
# 0 AMB 20-2:2250 3 HIS HB- 5.50 (# 2250:20 Single Ambig)
&rst
ixpk= 2250, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 16, 332,
igr2= 33, 34,
&end
#
# 45 LYS HN 3 HIS HB- 5.50 (# 2251:20 Unique 4.03, 4.72 A)
&rst
ixpk= 2251, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 33, 34,
&end
#
# 67 THR HN 40 LYS HB- 5.50 (# 2252:20 Unique 2.83, 4.50 A)
&rst
ixpk= 2252, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 638, 639,
&end
#
# 0 AMB 20-2:2253 0 AMB 20-1:2253 3.50 (# 2253:20 Double Ambig)
&rst
ixpk= 2253, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 641, 642, 644, 645,
igr2= 638, 639, 638, 639,
&end
#
# 19 GLN HE2+ 81 PRO HB- 5.50 (# 2254:20 Unique 2.77, 7.44 A)
&rst
ixpk= 2254, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 318, 319,
igr2=1251,1252,
&end
#
# 0 AMB 20-2:2255 0 AMB 20-1:2255 5.50 (# 2255:20 Double Ambig)
&rst
ixpk= 2255, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 647, 648, 647, 648,
igr2= 638, 639, 638, 639,
&end
#
# 41 ASN HN 40 LYS HB+ 5.50 (# 2256:20 Unique 3.27, 4.26 A)
&rst
ixpk= 2256, nxpk= 20, iat= 656, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 638, 639,
&end
#
# 0 AMB 20-2:2257 58 LYS HB- 5.50 (# 2257:20 Single Ambig)
&rst
ixpk= 2257, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 912, 913, 912, 913,
igr2= 903, 904,
&end
#
# 55 GLY HA+ 58 LYS HB- 5.50 (# 2260:20 Unique 2.17, 3.53 A)
&rst
ixpk= 2260, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 867, 868,
igr2= 903, 904,
&end
#
# 76 LYS HA 76 LYS HB- 3.50 (# 2261:20 Unique 2.31, 2.72 A)
&rst
ixpk= 2261, nxpk= 20, iat=1166, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1168,1169,
&end
#
# 32 ARG HN 28 GLU HB+ 5.50 (# 2262:20 Unique 3.30, 4.46 A)
&rst
ixpk= 2262, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 451, 452,
&end
#
# 0 AMB 20-2:2265 0 AMB 20-1:2265 5.50 (# 2265:20 Double Ambig)
&rst
ixpk= 2265, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 478, 447,
igr2= 504, 505, 504, 505, 504, 505,
&end
#
# 58 LYS HA 58 LYS HD- 5.50 (# 2267:20 Unique 3.53, 4.19 A)
&rst
ixpk= 2267, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:2268 58 LYS HD- 5.50 (# 2268:20 Single Ambig)
&rst
ixpk= 2268, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 923, 978, 979,
igr2= 909, 910,
&end
#
# 45 LYS HB+ 4 TRP HB+ 5.50 (# 2271:20 Unique 3.42, 5.13 A)
&rst
ixpk= 2271, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 716, 717,
igr2= 50, 51,
&end
#
# 45 LYS HB+ 4 TRP HB- 5.50 (# 2272:20 Unique 3.42, 5.13 A)
&rst
ixpk= 2272, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 716, 717,
igr2= 50, 51,
&end
#
# 0 AMB 20-2:2273 0 AMB 20-1:2273 5.50 (# 2273:20 Double Ambig)
&rst
ixpk= 2273, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 31, 714,
igr2= 50, 51, 50, 51,
&end
#
# 0 AMB 20-2:2274 4 TRP HB- 5.50 (# 2274:20 Single Ambig)
&rst
ixpk= 2274, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 31, 714,
igr2= 50, 51,
&end
#
# 21 ALA HN 4 TRP HB+ 5.50 (# 2277:20 Unique 3.72, 4.77 A)
&rst
ixpk= 2277, nxpk= 20, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 50, 51,
&end
#
# 21 ALA HN 4 TRP HB- 5.50 (# 2278:20 Unique 3.72, 4.77 A)
&rst
ixpk= 2278, nxpk= 20, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 50, 51,
&end
#
# 22 ILE HN 4 TRP HB- 5.50 (# 2279:20 Unique 3.96, 4.71 A)
&rst
ixpk= 2279, nxpk= 20, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 50, 51,
&end
#
# 12 GLN HN 9 VAL HB 5.50 (# 2280:20 Unique 3.85, 4.49 A)
&rst
ixpk= 2280, nxpk= 20, iat= 186, 145, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 GLY HA+ 40 LYS HD+ 5.50 (# 2281:20 Unique 3.19, 4.89 A)
&rst
ixpk= 2281, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1019,1020,
igr2= 644, 645,
&end
#
# 66 TYR HA 40 LYS HD+ 5.50 (# 2282:20 Unique 2.20, 3.77 A)
&rst
ixpk= 2282, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 644, 645,
&end
#
# 53 GLN HE2+ 53 GLN HB+ 5.50 (# 2284:20 Unique 2.48, 3.97 A)
&rst
ixpk= 2284, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 849, 850,
igr2= 841, 842,
&end
#
# 48 CYS HB+ 53 GLN HB- 5.50 (# 2286:20 Unique 2.15, 3.62 A)
&rst
ixpk= 2286, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 775, 776,
igr2= 841, 842,
&end
#
# 0 AMB 20-2:2287 53 GLN HB- 5.50 (# 2287:20 Single Ambig)
&rst
ixpk= 2287, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 856, 858, 859,
igr2= 841, 842,
&end
#
# 0 AMB 20-2:2290 0 AMB 20-1:2290 5.50 (# 2290:20 Double Ambig)
&rst
ixpk= 2290, 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=1268,1269,1268,1269,
&end
#
# 0 AMB 20-2:2291 82 LYS HD- 5.50 (# 2291:20 Single Ambig)
&rst
ixpk= 2291, 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=1268,1269,
&end
#
# 18 VAL HA 82 LYS HD- 5.50 (# 2292:20 Unique 4.07, 5.03 A)
&rst
ixpk= 2292, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1268,1269,
&end
#
# 82 LYS HN 82 LYS HD- 5.50 (# 2293:20 Unique 2.76, 4.75 A)
&rst
ixpk= 2293, nxpk= 20, iat=1258, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1268,1269,
&end
#
# 66 TYR HA 40 LYS HD- 5.50 (# 2294:20 Unique 2.20, 3.77 A)
&rst
ixpk= 2294, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 644, 645,
&end
#
# 0 AMB 20-2:2295 0 AMB 20-1:2295 5.50 (# 2295:20 Double Ambig)
&rst
ixpk= 2295, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 224, 974,
igr2= 245, 246, 245, 246, 989, 990, 989, 990, 925, 926,
925, 926,
&end
#
# 20 GLY HN 19 GLN HB- 5.50 (# 2296:20 Unique 2.55, 4.21 A)
&rst
ixpk= 2296, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 310, 311,
&end
#
# 45 LYS HN 45 LYS HD+ 5.50 (# 2299:20 Unique 3.92, 4.83 A)
&rst
ixpk= 2299, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 722, 723,
&end
#
# 4 TRP HE1 45 LYS HD+ 5.50 (# 2300:20 Unique 2.52, 4.00 A)
&rst
ixpk= 2300, nxpk= 20, iat= 56, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 722, 723,
&end
#
# 0 AMB 20-2:2301 0 AMB 20-1:2301 5.50 (# 2301:20 Double Ambig)
&rst
ixpk= 2301, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.00, r4=12.75,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088, 702, 703, 704, 706, 707, 708,
igr2=1063,1064,1063,1064,1063,1064,
&end
#
# 69 VAL HN 68 HIS HB+ 5.50 (# 2304:20 Unique 3.65, 4.34 A)
&rst
ixpk= 2304, nxpk= 20, iat=1076, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1063,1064,
&end
#
# 0 AMB 20-2:2305 68 HIS HB- 5.50 (# 2305:20 Single Ambig)
&rst
ixpk= 2305, 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, 702, 703, 704, 706, 707, 708,
igr2=1063,1064,
&end
#
# 69 VAL HN 68 HIS HB- 5.50 (# 2308:20 Unique 3.65, 4.34 A)
&rst
ixpk= 2308, nxpk= 20, iat=1076, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1063,1064,
&end
#
# 18 VAL MGX 19 GLN HB+ 5.50 (# 2309:20 Unique 4.23, 6.38 A)
&rst
ixpk= 2309, 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= 310, 311,
&end
#
# 20 GLY HN 19 GLN HB+ 5.50 (# 2310:20 Unique 2.55, 4.21 A)
&rst
ixpk= 2310, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 310, 311,
&end
#
# 0 AMB 20-2:2312 45 LYS HD- 5.50 (# 2312:20 Single Ambig)
&rst
ixpk= 2312, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 18, 19, 18, 19,
igr2= 722, 723,
&end
#
# 45 LYS HN 45 LYS HD- 5.50 (# 2315:20 Unique 3.92, 4.83 A)
&rst
ixpk= 2315, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 722, 723,
&end
#
# 4 TRP HE1 45 LYS HD- 5.50 (# 2316:20 Unique 2.52, 4.00 A)
&rst
ixpk= 2316, nxpk= 20, iat= 56, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 722, 723,
&end
#
# 8 ARG HN 48 CYS HB+ 5.50 (# 2317:20 Unique 2.87, 4.88 A)
&rst
ixpk= 2317, nxpk= 20, iat= 117, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 775, 776,
&end
#
# 0 AMB 20-2:2318 0 AMB 20-1:2318 5.50 (# 2318:20 Double Ambig)
&rst
ixpk= 2318, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 750,1138, 889,
igr2= 775, 776, 775, 776, 775, 776,
&end
#
# 7 VAL HN 48 CYS HB- 5.50 (# 2320:20 Unique 2.13, 4.03 A)
&rst
ixpk= 2320, nxpk= 20, iat= 101, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 775, 776,
&end
#
# 0 AMB 20-2:2321 48 CYS HB- 5.50 (# 2321:20 Single Ambig)
&rst
ixpk= 2321, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 750,1138, 889,
igr2= 775, 776,
&end
#
# 0 AMB 20-2:2324 48 CYS HB- 5.50 (# 2324:20 Single Ambig)
&rst
ixpk= 2324, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 124, 125, 124, 125,
igr2= 775, 776,
&end
#
# 79 ALA HN 78 ILE HG1+ 5.50 (# 2325:20 Unique 3.66, 5.12 A)
&rst
ixpk= 2325, nxpk= 20, iat=1217, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1208,1209,
&end
#
# 0 AMB 20-2:2326 0 AMB 20-1:2326 5.50 (# 2326:20 Double Ambig)
&rst
ixpk= 2326, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1229, 361,
igr2=1248,1249, 396, 397,
&end
#
# 23 ASN HD2- 25 PRO HG- 5.50 (# 2327:20 Unique 2.17, 4.23 A)
&rst
ixpk= 2327, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 396, 397,
&end
#
# 0 AMB 20-2:2328 0 AMB 20-1:2328 5.50 (# 2328:20 Double Ambig)
&rst
ixpk= 2328, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 872, 462,
igr2= 820, 821, 522, 523,
&end
#
# 0 AMB 20-2:2329 61 LEU HG 3.50 (# 2329:20 Single Ambig)
&rst
ixpk= 2329, nxpk= 20, iat= -1, 962, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
igr1= 468, 469, 470, 472, 473, 474, 942, 943, 944,1082,
1083,1084,1086,1087,1088,1082,1083,1084,1086,1087,
1088, 740, 741, 742, 744, 745, 746,
&end
#
# 57 ALA HA 61 LEU HG 5.50 (# 2330:20 Unique 3.78, 4.08 A)
&rst
ixpk= 2330, nxpk= 20, iat= 891, 962, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 SER HN 61 LEU HG 5.50 (# 2331:20 Unique 4.50, 4.59 A)
&rst
ixpk= 2331, nxpk= 20, iat= 974, 962, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2332 52 ARG HG- 3.50 (# 2332:20 Single Ambig)
&rst
ixpk= 2332, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 817, 818, 817, 818,
igr2= 820, 821,
&end
#
# 26 LEU HB+ 26 LEU HG 3.50 (# 2333:20 Unique 2.30, 2.76 A)
&rst
ixpk= 2333, nxpk= 20, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 410, 411,
&end
#
# 27 LYS HA 26 LEU HG 5.50 (# 2334:20 Unique 3.44, 3.78 A)
&rst
ixpk= 2334, nxpk= 20, iat= 427, 413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 82 LYS HE- 75 LEU HG 5.50 (# 2335:20 Unique 2.42, 4.25 A)
&rst
ixpk= 2335, 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 (# 2336:20 Unique 2.32, 3.32 A)
&rst
ixpk= 2336, nxpk= 20, iat=1147,1152, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2337 0 AMB 20-1:2337 5.50 (# 2337:20 Double Ambig)
&rst
ixpk= 2337, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 332, 784,
igr2= 350, 351,1152,
&end
#
# 75 LEU HN 75 LEU HG 5.50 (# 2338:20 Unique 4.32, 4.48 A)
&rst
ixpk= 2338, nxpk= 20, iat=1145,1152, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 ALA HA 22 ILE HG1+ 5.50 (# 2339:20 Unique 3.08, 4.22 A)
&rst
ixpk= 2339, nxpk= 20, iat= 332, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 350, 351,
&end
#
# 0 AMB 20-2:2340 0 AMB 20-1:2340 5.50 (# 2340:20 Double Ambig)
&rst
ixpk= 2340, 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
#
# 37 VAL MGX 33 ILE HG1+ 5.50 (# 2344:20 Unique 3.11, 5.42 A)
&rst
ixpk= 2344, 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= 549, 550,
&end
#
# 0 AMB 20-2:2347 0 AMB 20-1:2347 5.50 (# 2347:20 Double Ambig)
&rst
ixpk= 2347, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 592, 539,
igr2= 549, 550, 549, 550,
&end
#
# 0 AMB 20-2:2348 75 LEU MDX 5.50 (# 2348:20 Single Ambig)
&rst
ixpk= 2348, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 82 LYS HE- 75 LEU MDX 5.50 (# 2349:20 Unique 2.12, 4.82 A)
&rst
ixpk= 2349, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1271,1272,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 75 LEU HN 75 LEU MDX 5.50 (# 2352:20 Unique 4.25, 5.18 A)
&rst
ixpk= 2352, nxpk= 20, iat=1145, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 56 GLN HE2- 26 LEU MDX 5.50 (# 2355:20 Unique 2.89, 5.56 A)
&rst
ixpk= 2355, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 884, 885,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 53 GLN HE2- 26 LEU MDX 5.50 (# 2356:20 Unique 2.56, 5.96 A)
&rst
ixpk= 2356, 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
#
# 53 GLN HE2+ 26 LEU MDX 5.50 (# 2358:20 Unique 2.56, 5.96 A)
&rst
ixpk= 2358, 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
#
# 58 LYS HN 26 LEU MDX 5.50 (# 2359:20 Unique 5.03, 6.60 A)
&rst
ixpk= 2359, nxpk= 20, iat= 899, -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 MDX 5.50 (# 2360:20 Unique 3.30, 5.43 A)
&rst
ixpk= 2360, 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
#
# 25 PRO HD- 24 ILE HG1+ 5.50 (# 2361:20 Unique 4.64, 5.23 A)
&rst
ixpk= 2361, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 393, 394,
igr2= 383, 384,
&end
#
# 24 ILE HN 24 ILE HG1+ 5.50 (# 2362:20 Unique 2.94, 3.49 A)
&rst
ixpk= 2362, nxpk= 20, iat= 373, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 383, 384,
&end
#
# 0 AMB 20-2:2363 0 AMB 20-1:2363 5.50 (# 2363:20 Double Ambig)
&rst
ixpk= 2363, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 504, 505, 504, 505,
igr2= 485, 486, 485, 486,
&end
#
# 64 MET HG- 30 LYS HG+ 5.50 (# 2364:20 Unique 2.62, 4.42 A)
&rst
ixpk= 2364, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1007,1008,
igr2= 485, 486,
&end
#
# 0 AMB 20-2:2365 0 AMB 20-1:2365 5.50 (# 2365:20 Double Ambig)
&rst
ixpk= 2365, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1026, 624,
igr2= 641, 642, 641, 642,
&end
#
# 0 AMB 20-2:2366 40 LYS HG- 5.50 (# 2366:20 Single Ambig)
&rst
ixpk= 2366, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1026, 624,
igr2= 641, 642,
&end
#
# 29 VAL HN 61 LEU MDY 5.50 (# 2369:20 Unique 6.34, 7.81 A)
&rst
ixpk= 2369, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 4 TRP HA 45 LYS HG- 5.50 (# 2370:20 Unique 4.50, 5.21 A)
&rst
ixpk= 2370, nxpk= 20, iat= 48, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 719, 720,
&end
#
# 64 MET HB- 30 LYS HG- 5.50 (# 2372:20 Unique 4.78, 6.21 A)
&rst
ixpk= 2372, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1004,1005,
igr2= 485, 486,
&end
#
# 64 MET HG- 30 LYS HG- 5.50 (# 2373:20 Unique 2.62, 4.42 A)
&rst
ixpk= 2373, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1007,1008,
igr2= 485, 486,
&end
#
# 71 ASN HB- 58 LYS HG- 5.50 (# 2374:20 Unique 2.51, 4.33 A)
&rst
ixpk= 2374, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1111,1112,
igr2= 906, 907,
&end
#
# 71 ASN HB- 58 LYS HG+ 5.50 (# 2375:20 Unique 2.51, 4.33 A)
&rst
ixpk= 2375, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1111,1112,
igr2= 906, 907,
&end
#
# 59 GLU HA 58 LYS HG+ 5.50 (# 2376:20 Unique 4.50, 5.35 A)
&rst
ixpk= 2376, nxpk= 20, iat= 923, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 906, 907,
&end
#
# 0 AMB 20-2:2377 58 LYS HG- 5.50 (# 2377:20 Single Ambig)
&rst
ixpk= 2377, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 923, 978, 979,
igr2= 906, 907,
&end
#
# 59 GLU HN 58 LYS HG- 5.50 (# 2379:20 Unique 4.34, 4.76 A)
&rst
ixpk= 2379, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 906, 907,
&end
#
# 19 GLN HN 82 LYS HG- 5.50 (# 2382:20 Unique 3.60, 4.30 A)
&rst
ixpk= 2382, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1265,1266,
&end
#
# 66 TYR HB+ 61 LEU MDX 5.50 (# 2383:20 Unique 3.54, 5.54 A)
&rst
ixpk= 2383, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1028,1029,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:2386 61 LEU MDX 5.50 (# 2386:20 Single Ambig)
&rst
ixpk= 2386, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 974, 696,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 64 MET HG- 29 VAL MGY 5.50 (# 2387:20 Unique 4.73, 7.60 A)
&rst
ixpk= 2387, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1007,1008,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 7 VAL HA 29 VAL MGY 5.50 (# 2388:20 Unique 4.42, 6.12 A)
&rst
ixpk= 2388, nxpk= 20, iat= 103, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:2389 75 LEU MDY 5.50 (# 2389:20 Single Ambig)
&rst
ixpk= 2389, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 277, 278, 786, 787,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 0 AMB 20-2:2390 75 LEU MDY 5.50 (# 2390:20 Single Ambig)
&rst
ixpk= 2390, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 127, 128, 292,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 76 LYS HA 75 LEU MDY 5.50 (# 2392:20 Unique 2.62, 5.60 A)
&rst
ixpk= 2392, nxpk= 20, iat=1166, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 75 LEU HN 75 LEU MDY 5.50 (# 2393:20 Unique 4.25, 5.18 A)
&rst
ixpk= 2393, nxpk= 20, iat=1145, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 76 LYS HN 75 LEU MDY 5.50 (# 2394:20 Unique 3.23, 5.29 A)
&rst
ixpk= 2394, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 0 AMB 20-2:2397 0 AMB 20-1:2397 2.80 (# 2397:20 Double Ambig)
&rst
ixpk= 2397, 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
#
# 26 LEU HB+ 26 LEU MDY 3.50 (# 2398:20 Unique 2.42, 3.33 A)
&rst
ixpk= 2398, 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
#
# 53 GLN HA 26 LEU MDY 5.50 (# 2399:20 Unique 2.35, 4.57 A)
&rst
ixpk= 2399, nxpk= 20, iat= 839, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 59 GLU HN 26 LEU MDY 5.50 (# 2400:20 Unique 6.20, 7.73 A)
&rst
ixpk= 2400, nxpk= 20, iat= 921, -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 (# 2401:20 Unique 3.30, 5.43 A)
&rst
ixpk= 2401, 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
#
# 58 LYS HE- 0 AMB 20-1:2402 5.50 (# 2402:20 Single Ambig)
&rst
ixpk= 2402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 912, 913,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 58 LYS HA 0 AMB 20-1:2403 4.50 (# 2403:20 Single Ambig)
&rst
ixpk= 2403, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 67 THR HN 0 AMB 20-1:2405 5.50 (# 2405:20 Single Ambig)
&rst
ixpk= 2405, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 0 AMB 20-2:2406 0 AMB 20-1:2406 5.50 (# 2406:20 Double Ambig)
&rst
ixpk= 2406, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 734, 955, 899,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 0 AMB 20-2:2407 0 AMB 20-1:2407 5.50 (# 2407:20 Double Ambig)
&rst
ixpk= 2407, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 974, 696,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 70 GLU HN 0 AMB 20-1:2408 5.50 (# 2408:20 Single Ambig)
&rst
ixpk= 2408, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 82 LYS HE+ 18 VAL MGY 5.50 (# 2409:20 Unique 2.22, 5.05 A)
&rst
ixpk= 2409, 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 (# 2410:20 Unique 2.63, 6.09 A)
&rst
ixpk= 2410, 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 20-2:2411 18 VAL MGY 5.50 (# 2411:20 Single Ambig)
&rst
ixpk= 2411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1= 325, 326,1147,1245,1246,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 45 LYS HA 44 VAL MGX 5.50 (# 2413:20 Unique 3.69, 5.84 A)
&rst
ixpk= 2413, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 69 VAL HA 44 VAL MGX 5.50 (# 2414:20 Unique 3.41, 4.74 A)
&rst
ixpk= 2414, 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 HA 44 VAL MGX 5.50 (# 2415:20 Unique 4.36, 6.43 A)
&rst
ixpk= 2415, nxpk= 20, iat= 736, -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 (# 2416:20 Unique 3.33, 6.05 A)
&rst
ixpk= 2416, 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
#
# 70 GLU HN 44 VAL MGX 5.50 (# 2417:20 Unique 3.58, 5.68 A)
&rst
ixpk= 2417, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 5 ILE HN 44 VAL MGX 5.50 (# 2418:20 Unique 3.98, 6.27 A)
&rst
ixpk= 2418, nxpk= 20, iat= 70, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 65 GLY HA- 67 THR MG2 5.50 (# 2419:20 Unique 4.23, 6.10 A)
&rst
ixpk= 2419, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1019,1020,
igr2=1051,1052,1053,
&end
#
# 41 ASN HD2+ 67 THR MG2 5.50 (# 2420:20 Unique 2.46, 6.58 A)
&rst
ixpk= 2420, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 665, 666,
igr2=1051,1052,1053,
&end
#
# 68 HIS HN 67 THR MG2 5.50 (# 2421:20 Unique 3.47, 5.02 A)
&rst
ixpk= 2421, nxpk= 20, iat=1059, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1051,1052,1053,
&end
#
# 0 AMB 20-2:2422 44 VAL MGY 3.50 (# 2422:20 Single Ambig)
&rst
ixpk= 2422, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 66 TYR HB- 44 VAL MGY 5.50 (# 2423:20 Unique 2.94, 6.14 A)
&rst
ixpk= 2423, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1028,1029,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 69 VAL HN 44 VAL MGY 5.50 (# 2427:20 Unique 5.86, 7.07 A)
&rst
ixpk= 2427, nxpk= 20, iat=1076, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 7 VAL HB 29 VAL MGX 5.50 (# 2429:20 Unique 3.43, 4.77 A)
&rst
ixpk= 2429, nxpk= 20, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:2430 29 VAL MGX 5.50 (# 2430:20 Single Ambig)
&rst
ixpk= 2430, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 957, 375,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 31 GLU HN 29 VAL MGX 5.50 (# 2431:20 Unique 4.84, 5.95 A)
&rst
ixpk= 2431, nxpk= 20, iat= 500, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 32 ARG HN 29 VAL MGX 5.50 (# 2432:20 Unique 4.97, 6.54 A)
&rst
ixpk= 2432, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:2433 21 ALA MB 5.50 (# 2433:20 Single Ambig)
&rst
ixpk= 2433, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1204,1205,1206, 76, 77, 78,
igr2= 334, 335, 336,
&end
#
# 44 VAL HA 43 THR MG2 5.50 (# 2435:20 Unique 3.87, 5.22 A)
&rst
ixpk= 2435, nxpk= 20, iat= 698, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 688, 689, 690,
&end
#
# 70 GLU HN 43 THR MG2 5.50 (# 2436:20 Unique 4.28, 5.50 A)
&rst
ixpk= 2436, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 688, 689, 690,
&end
#
# 19 GLN HN 83 VAL MGY 5.50 (# 2437:20 Unique 3.24, 5.27 A)
&rst
ixpk= 2437, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 29 VAL HB 46 VAL MGX 5.50 (# 2438:20 Unique 5.78, 7.62 A)
&rst
ixpk= 2438, nxpk= 20, iat= 466, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 58 LYS HB+ 46 VAL MGX 5.50 (# 2439:20 Unique 2.26, 4.78 A)
&rst
ixpk= 2439, 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
#
# 71 ASN HN 46 VAL MGX 5.50 (# 2440:20 Unique 4.15, 6.36 A)
&rst
ixpk= 2440, nxpk= 20, iat=1107, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 70 GLU HN 46 VAL MGX 5.50 (# 2441:20 Unique 3.15, 5.22 A)
&rst
ixpk= 2441, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 53 GLN HB- 7 VAL MGY 5.50 (# 2442:20 Unique 2.85, 6.40 A)
&rst
ixpk= 2442, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 841, 842,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 26 LEU HN 7 VAL MGY 5.50 (# 2443:20 Unique 4.08, 5.32 A)
&rst
ixpk= 2443, nxpk= 20, iat= 406, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 52 ARG HN 50 ALA MB 5.50 (# 2444:20 Unique 2.67, 3.93 A)
&rst
ixpk= 2444, nxpk= 20, iat= 813, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 800, 801, 802,
&end
#
# 19 GLN HN 83 VAL MGX 5.50 (# 2448:20 Unique 3.24, 5.27 A)
&rst
ixpk= 2448, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 20 GLY HN 83 VAL MGX 5.50 (# 2449:20 Unique 3.58, 6.14 A)
&rst
ixpk= 2449, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 0 AMB 20-2:2450 37 VAL MGX 3.50 (# 2450:20 Single Ambig)
&rst
ixpk= 2450, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 552, 553, 554, 83, 84, 85,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 44 VAL MGY 37 VAL MGX 4.50 (# 2452:20 Unique 2.26, 5.19 A)
&rst
ixpk= 2452, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 702, 703, 704, 706, 707, 708,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 38 PRO HD+ 37 VAL MGX 5.50 (# 2453:20 Unique 3.17, 5.30 A)
&rst
ixpk= 2453, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 609, 610,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 80 MET HG+ 18 VAL MGX 5.50 (# 2454:20 Unique 2.17, 5.53 A)
&rst
ixpk= 2454, 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
#
# 78 ILE HN 18 VAL MGX 5.50 (# 2457:20 Unique 4.27, 6.45 A)
&rst
ixpk= 2457, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 18 VAL HN 18 VAL MGX 5.50 (# 2459:20 Unique 2.14, 3.88 A)
&rst
ixpk= 2459, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 21 ALA HN 18 VAL MGX 5.50 (# 2460:20 Unique 2.57, 5.14 A)
&rst
ixpk= 2460, nxpk= 20, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:2461 33 ILE QG2 5.50 (# 2461:20 Single Ambig)
&rst
ixpk= 2461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.14, r4= 9.89,
igr1= 962, 485, 486, 519, 520, 638, 639,
igr2= 545, 546, 547,
&end
#
# 64 MET ME 33 ILE QG2 4.50 (# 2462:20 Unique 2.22, 4.19 A)
&rst
ixpk= 2462, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1011,1012,1013,
igr2= 545, 546, 547,
&end
#
# 34 ALA HA 33 ILE QG2 5.50 (# 2463:20 Unique 3.46, 4.58 A)
&rst
ixpk= 2463, nxpk= 20, iat= 560, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 545, 546, 547,
&end
#
# 36 ALA HN 33 ILE QG2 5.50 (# 2464:20 Unique 5.56, 6.22 A)
&rst
ixpk= 2464, nxpk= 20, iat= 582, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 545, 546, 547,
&end
#
# 32 ARG HN 33 ILE QG2 5.50 (# 2466:20 Unique 3.32, 4.88 A)
&rst
ixpk= 2466, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 545, 546, 547,
&end
#
# 0 AMB 20-2:2467 57 ALA MB 4.50 (# 2467:20 Single Ambig)
&rst
ixpk= 2467, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 738, 940,
igr2= 893, 894, 895,
&end
#
# 58 LYS HB+ 57 ALA MB 5.50 (# 2468:20 Unique 4.23, 5.63 A)
&rst
ixpk= 2468, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 903, 904,
igr2= 893, 894, 895,
&end
#
# 7 VAL HB 57 ALA MB 5.50 (# 2469:20 Unique 2.56, 3.47 A)
&rst
ixpk= 2469, nxpk= 20, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 893, 894, 895,
&end
#
# 47 TYR HB- 7 VAL MGX 5.50 (# 2470:20 Unique 5.53, 7.47 A)
&rst
ixpk= 2470, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 754, 755,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 8 ARG HN 7 VAL MGX 5.50 (# 2471:20 Unique 3.81, 5.11 A)
&rst
ixpk= 2471, nxpk= 20, iat= 117, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 26 LEU HN 7 VAL MGX 5.50 (# 2472:20 Unique 4.08, 5.32 A)
&rst
ixpk= 2472, nxpk= 20, iat= 406, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 5 ILE HN 7 VAL MGX 5.50 (# 2473:20 Unique 4.69, 6.62 A)
&rst
ixpk= 2473, nxpk= 20, iat= 70, -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 (# 2474:20 Unique 2.72, 5.71 A)
&rst
ixpk= 2474, 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
#
# 79 ALA HA 78 ILE QG2 5.50 (# 2475:20 Unique 3.93, 5.34 A)
&rst
ixpk= 2475, nxpk= 20, iat=1219, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1204,1205,1206,
&end
#
# 80 MET HA 78 ILE QG2 5.50 (# 2476:20 Unique 4.27, 5.40 A)
&rst
ixpk= 2476, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1204,1205,1206,
&end
#
# 33 ILE HG1+ 64 MET ME 5.50 (# 2477:20 Unique 4.53, 6.35 A)
&rst
ixpk= 2477, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 549, 550,
igr2=1011,1012,1013,
&end
#
# 61 LEU HA 64 MET ME 5.50 (# 2478:20 Unique 2.52, 5.57 A)
&rst
ixpk= 2478, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1011,1012,1013,
&end
#
# 64 MET HA 64 MET ME 5.50 (# 2479:20 Unique 3.29, 4.63 A)
&rst
ixpk= 2479, nxpk= 20, iat=1002, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1011,1012,1013,
&end
#
# 0 AMB 20-2:2481 64 MET ME 5.50 (# 2481:20 Single Ambig)
&rst
ixpk= 2481, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1000,1017,
igr2=1011,1012,1013,
&end
#
# 7 VAL HA 5 ILE QG2 5.50 (# 2483:20 Unique 3.43, 4.63 A)
&rst
ixpk= 2483, 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 (# 2484:20 Unique 4.28, 4.72 A)
&rst
ixpk= 2484, nxpk= 20, iat= 70, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 76, 77, 78,
&end
#
# 78 ILE HA 79 ALA MB 5.50 (# 2485:20 Unique 4.35, 4.90 A)
&rst
ixpk= 2485, nxpk= 20, iat=1200, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1221,1222,1223,
&end
#
# 80 MET HG+ 79 ALA MB 5.50 (# 2486:20 Unique 4.07, 5.75 A)
&rst
ixpk= 2486, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1234,1235,
igr2=1221,1222,1223,
&end
#
# 80 MET HA 80 MET ME 5.50 (# 2488:20 Unique 3.64, 5.16 A)
&rst
ixpk= 2488, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1238,1239,1240,
&end
#
# 80 MET HN 80 MET ME 5.50 (# 2489:20 Unique 4.63, 6.02 A)
&rst
ixpk= 2489, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1238,1239,1240,
&end
#
# 0 AMB 20-2:2493 60 ILE QD1 5.50 (# 2493:20 Single Ambig)
&rst
ixpk= 2493, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 889, 899,
igr2= 949, 950, 951,
&end
#
# 30 LYS HN 60 ILE QD1 5.50 (# 2494:20 Unique 3.92, 5.27 A)
&rst
ixpk= 2494, nxpk= 20, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 949, 950, 951,
&end
#
# 56 GLN HB- 60 ILE QD1 5.50 (# 2495:20 Unique 3.12, 4.67 A)
&rst
ixpk= 2495, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 876, 877,
igr2= 949, 950, 951,
&end
#
# 0 AMB 20-2:2496 60 ILE QD1 5.50 (# 2496:20 Single Ambig)
&rst
ixpk= 2496, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 491, 492, 491, 492,
igr2= 949, 950, 951,
&end
#
# 22 ILE HN 22 ILE QD1 5.50 (# 2497:20 Unique 4.00, 4.71 A)
&rst
ixpk= 2497, nxpk= 20, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 353, 354, 355,
&end
#
# 0 AMB 20-2:2498 0 AMB 20-1:2498 4.50 (# 2498:20 Double Ambig)
&rst
ixpk= 2498, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 946, 947, 940, 344,
igr2= 949, 950, 951, 353, 354, 355,
&end
#
# 24 ILE HA 24 ILE QD1 5.50 (# 2499:20 Unique 2.47, 4.64 A)
&rst
ixpk= 2499, nxpk= 20, iat= 375, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 386, 387, 388,
&end
#
# 36 ALA HN 24 ILE QD1 5.50 (# 2500:20 Unique 3.64, 5.01 A)
&rst
ixpk= 2500, nxpk= 20, iat= 582, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 386, 387, 388,
&end
#
# 24 ILE HN 24 ILE QD1 5.50 (# 2501:20 Unique 4.24, 5.25 A)
&rst
ixpk= 2501, nxpk= 20, iat= 373, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 386, 387, 388,
&end
#
# 33 ILE HN 24 ILE QD1 5.50 (# 2502:20 Unique 3.62, 5.17 A)
&rst
ixpk= 2502, nxpk= 20, iat= 539, -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 (# 2503:20 Unique 2.31, 3.90 A)
&rst
ixpk= 2503, 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 (# 2504:20 Unique 2.31, 3.90 A)
&rst
ixpk= 2504, 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
#
# 22 ILE HN 5 ILE QD1 5.50 (# 2505:20 Unique 3.04, 5.00 A)
&rst
ixpk= 2505, nxpk= 20, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 83, 84, 85,
&end
#
# 82 LYS HG+ 18 VAL HA 4.50 (# 2506:20 Unique 2.12, 2.81 A)
&rst
ixpk= 2506, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1265,1266,
&end
#
# 12 GLN HE2- 6 ASP HB+ 5.50 (# 2507:20 Unique 2.72, 4.02 A)
&rst
ixpk= 2507, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 198, 199,
igr2= 93, 94,
&end
#
# 75 LEU MDY 16 GLU HG+ 5.50 (# 2508:20 Unique 2.64, 6.11 A)
&rst
ixpk= 2508, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1154,1155,1156,1158,1159,1160,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:2510 3 HIS HB- 5.50 (# 2510:20 Single Ambig)
&rst
ixpk= 2510, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 80, 81, 80, 81,
igr2= 33, 34,
&end
#
# 0 AMB 20-2:2511 40 LYS HB- 5.50 (# 2511:20 Single Ambig)
&rst
ixpk= 2511, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 647, 648, 647, 648,
igr2= 638, 639,
&end
#
# 67 THR MG2 41 ASN HA 5.50 (# 2513:20 Unique 2.22, 4.58 A)
&rst
ixpk= 2513, nxpk= 20, iat= -1, 658, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1051,1052,1053,
&end
#
# 0 AMB 20-2:2514 41 ASN HA 3.50 (# 2514:20 Single Ambig)
&rst
ixpk= 2514, nxpk= 20, iat= -1, 658, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 660, 661, 647, 648,
&end
#
# 42 ASP HN 41 ASN HA 4.50 (# 2516:20 Unique 3.37, 3.48 A)
&rst
ixpk= 2516, nxpk= 20, iat= 670, 658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 ASN HN 41 ASN HA 4.50 (# 2518:20 Unique 2.90, 2.93 A)
&rst
ixpk= 2518, nxpk= 20, iat= 656, 658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 HIS HN 41 ASN HA 5.50 (# 2519:20 Unique 2.99, 4.04 A)
&rst
ixpk= 2519, nxpk= 20, iat=1059, 658, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 ARG HA 35 THR HB 5.50 (# 2520:20 Unique 3.75, 4.97 A)
&rst
ixpk= 2520, nxpk= 20, iat= 517, 572, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 GLU HN 29 VAL HA 5.50 (# 2521:20 Unique 3.54, 3.81 A)
&rst
ixpk= 2521, nxpk= 20, iat= 500, 464, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 57 ALA MB 54 SER HA 3.50 (# 2522:20 Unique 2.30, 3.69 A)
&rst
ixpk= 2522, nxpk= 20, iat= -1, 856, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 893, 894, 895,
&end
#
# 14 GLN HN 13 TYR HA 5.50 (# 2523:20 Unique 3.32, 3.53 A)
&rst
ixpk= 2523, nxpk= 20, iat= 224, 205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2525 69 VAL HA 5.50 (# 2525:20 Single Ambig)
&rst
ixpk= 2525, nxpk= 20, iat= -1,1078, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1099,1100,1099,1100,
&end
#
# 40 LYS HG- 66 TYR HA 5.50 (# 2526:20 Unique 2.24, 4.29 A)
&rst
ixpk= 2526, nxpk= 20, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 641, 642,
&end
#
# 66 TYR HN 61 LEU HA 5.50 (# 2528:20 Unique 3.97, 4.23 A)
&rst
ixpk= 2528, nxpk= 20, iat=1024, 957, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2530 16 GLU HA 5.50 (# 2530:20 Single Ambig)
&rst
ixpk= 2530, nxpk= 20, iat= -1, 260, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 262, 263, 265, 266,
&end
#
# 68 HIS HB- 68 HIS HA 4.50 (# 2532:20 Unique 2.46, 2.77 A)
&rst
ixpk= 2532, nxpk= 20, iat= -1,1061, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1063,1064,
&end
#
# 43 THR MG2 68 HIS HA 5.50 (# 2533:20 Unique 4.09, 5.62 A)
&rst
ixpk= 2533, nxpk= 20, iat= -1,1061, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 688, 689, 690,
&end
#
# 68 HIS HB- 68 HIS HA 4.50 (# 2536:20 Unique 2.46, 2.77 A)
&rst
ixpk= 2536, nxpk= 20, iat= -1,1061, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1063,1064,
&end
#
# 23 ASN HD2- 25 PRO HD- 5.50 (# 2537:20 Unique 3.27, 4.76 A)
&rst
ixpk= 2537, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 393, 394,
&end
#
# 0 AMB 20-2:2538 25 PRO HD- 5.50 (# 2538:20 Single Ambig)
&rst
ixpk= 2538, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 373, 462,
igr2= 393, 394,
&end
#
# 36 ALA HA 38 PRO HD- 5.50 (# 2539:20 Unique 3.77, 4.84 A)
&rst
ixpk= 2539, nxpk= 20, iat= 584, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 609, 610,
&end
#
# 7 VAL MGX 6 ASP HB- 5.50 (# 2540:20 Unique 5.30, 6.88 A)
&rst
ixpk= 2540, 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= 93, 94,
&end
#
# 4 TRP HA 5 ILE HB 5.50 (# 2544:20 Unique 4.35, 4.65 A)
&rst
ixpk= 2544, nxpk= 20, iat= 48, 74, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 19 GLN HE2- 19 GLN HG- 5.50 (# 2545:20 Unique 2.24, 3.42 A)
&rst
ixpk= 2545, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 318, 319,
igr2= 313, 314,
&end
#
# 46 VAL HN 45 LYS HB- 5.50 (# 2546:20 Unique 3.37, 4.06 A)
&rst
ixpk= 2546, nxpk= 20, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 716, 717,
&end
#
# 45 LYS HD+ 45 LYS HB+ 5.50 (# 2547:20 Unique 2.45, 2.81 A)
&rst
ixpk= 2547, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 722, 723,
igr2= 716, 717,
&end
#
# 78 ILE HG1- 78 ILE QG2 4.50 (# 2550:20 Unique 2.22, 3.23 A)
&rst
ixpk= 2550, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1208,1209,
igr2=1204,1205,1206,
&end
#
# 0 AMB 20-2:2551 4 TRP HA 5.50 (# 2551:20 Single Ambig)
&rst
ixpk= 2551, nxpk= 20, iat= -1, 48, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 33, 34, 754, 755,
&end
#
# 0 AMB 20-2:2554 4 TRP HA 5.50 (# 2554:20 Single Ambig)
&rst
ixpk= 2554, nxpk= 20, iat= -1, 48, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1= 722, 723, 702, 703, 704, 706, 707, 708, 740, 741,
742, 744, 745, 746,
&end
#
# 0 AMB 20-2:2555 4 TRP HA 5.50 (# 2555:20 Single Ambig)
&rst
ixpk= 2555, nxpk= 20, iat= -1, 48, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 31, 714,
&end
#
# 0 AMB 20-2:2556 5 ILE HB 5.50 (# 2556:20 Single Ambig)
&rst
ixpk= 2556, nxpk= 20, iat= -1, 74, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 350, 351, 549, 550, 586, 587, 588,
&end
#
# 0 AMB 20-2:2557 0 AMB 20-1:2557 4.50 (# 2557:20 Double Ambig)
&rst
ixpk= 2557, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 893, 894, 895, 377, 350, 351,
igr2= 940, 74,
&end
#
# 57 ALA HA 60 ILE HB 3.50 (# 2558:20 Unique 2.21, 2.33 A)
&rst
ixpk= 2558, nxpk= 20, iat= 891, 940, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:2559 0 AMB 20-1:2559 3.50 (# 2559:20 Double Ambig)
&rst
ixpk= 2559, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 955, 750,
igr2= 940, 74,
&end
#
# 22 ILE HG1- 5 ILE QD1 5.50 (# 2561:20 Unique 2.49, 3.86 A)
&rst
ixpk= 2561, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 350, 351,
igr2= 83, 84, 85,
&end
#
# 24 ILE HN 6 ASP HA 5.50 (# 2562:20 Unique 4.91, 4.96 A)
&rst
ixpk= 2562, nxpk= 20, iat= 373, 91, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 20 GLY HA+ 19 GLN HA 5.50 (# 2563:20 Unique 4.36, 4.51 A)
&rst
ixpk= 2563, nxpk= 20, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 325, 326,
&end
#
# 0 AMB 20-2:2565 60 ILE HG1- 5.50 (# 2565:20 Single Ambig)
&rst
ixpk= 2565, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 923, 957, 427,
igr2= 946, 947,
&end
#
# 83 VAL HN 19 GLN HG+ 5.50 (# 2566:20 Unique 3.29, 5.48 A)
&rst
ixpk= 2566, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 313, 314,
&end
#
# 0 AMB 20-2:2567 0 AMB 20-1:2567 5.50 (# 2567:20 Double Ambig)
&rst
ixpk= 2567, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 325, 326,1254,
igr2= 313, 314, 313, 314,
&end
#
# 19 GLN HB+ 19 GLN HG- 3.50 (# 2568:20 Unique 2.18, 2.63 A)
&rst
ixpk= 2568, 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 HG+ 19 GLN HB+ 2.80 (# 2569:20 Unique 2.18, 2.63 A)
&rst
ixpk= 2569, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 313, 314,
igr2= 310, 311,
&end
#
# 18 VAL MGX 19 GLN HB- 5.50 (# 2570:20 Unique 4.23, 6.38 A)
&rst
ixpk= 2570, 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= 310, 311,
&end
#
# 21 ALA HA 22 ILE HB 5.50 (# 2571:20 Unique 4.88, 5.44 A)
&rst
ixpk= 2571, nxpk= 20, iat= 332, 344, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2572 0 AMB 20-1:2572 4.50 (# 2572:20 Double Ambig)
&rst
ixpk= 2572, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 946, 947, 80, 81, 80, 81,
igr2= 949, 950, 951, 353, 354, 355,
&end
#
# 46 VAL MGX 71 ASN HA 4.50 (# 2573:20 Unique 2.14, 4.40 A)
&rst
ixpk= 2573, nxpk= 20, iat= -1,1109, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:2574 71 ASN HA 5.50 (# 2574:20 Single Ambig)
&rst
ixpk= 2574, nxpk= 20, iat= -1,1109, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 903, 904,1125,1126,1127,
&end
#
# 71 ASN HB- 71 ASN HA 4.50 (# 2575:20 Unique 2.38, 2.75 A)
&rst
ixpk= 2575, nxpk= 20, iat= -1,1109, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1111,1112,
&end
#
# 72 ALA HN 71 ASN HA 3.50 (# 2576:20 Unique 2.14, 2.19 A)
&rst
ixpk= 2576, nxpk= 20, iat=1121,1109, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 71 ASN HN 71 ASN HA 5.50 (# 2577:20 Unique 2.96, 2.98 A)
&rst
ixpk= 2577, nxpk= 20, iat=1107,1109, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2578 30 LYS HA 5.50 (# 2578:20 Single Ambig)
&rst
ixpk= 2578, nxpk= 20, iat= -1, 480, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 504, 505, 504, 505, 466,
&end
#
# 62 SER HN 58 LYS HA 5.50 (# 2579:20 Unique 4.00, 4.18 A)
&rst
ixpk= 2579, nxpk= 20, iat= 974, 901, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2580 44 VAL HA 5.50 (# 2580:20 Single Ambig)
&rst
ixpk= 2580, nxpk= 20, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 734, 14,
&end
#
# 3 HIS HB- 3 HIS HA 4.50 (# 2581:20 Unique 2.53, 2.80 A)
&rst
ixpk= 2581, 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 4.50 (# 2582:20 Unique 2.53, 2.80 A)
&rst
ixpk= 2582, nxpk= 20, iat= -1, 31, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 33, 34,
&end
#
# 4 TRP HN 3 HIS HA 3.50 (# 2583:20 Unique 2.12, 2.24 A)
&rst
ixpk= 2583, nxpk= 20, iat= 46, 31, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 LYS HE+ 45 LYS HB+ 5.50 (# 2585:20 Unique 4.22, 4.56 A)
&rst
ixpk= 2585, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 725, 726,
igr2= 716, 717,
&end
#
# 45 LYS HE+ 45 LYS HB- 5.50 (# 2586:20 Unique 4.22, 4.56 A)
&rst
ixpk= 2586, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 725, 726,
igr2= 716, 717,
&end
#
# 5 ILE HN 45 LYS HB+ 5.50 (# 2587:20 Unique 3.63, 4.36 A)
&rst
ixpk= 2587, nxpk= 20, iat= 70, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 716, 717,
&end
#
# 5 ILE HN 45 LYS HB- 5.50 (# 2588:20 Unique 3.63, 4.36 A)
&rst
ixpk= 2588, nxpk= 20, iat= 70, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 716, 717,
&end
#
# 0 AMB 20-2:2589 46 VAL HA 5.50 (# 2589:20 Single Ambig)
&rst
ixpk= 2589, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 714,1109,
&end
#
# 4 TRP HA 46 VAL HA 5.50 (# 2590:20 Unique 4.31, 4.70 A)
&rst
ixpk= 2590, nxpk= 20, iat= 48, 736, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 ILE HN 7 VAL MGY 5.50 (# 2591:20 Unique 3.55, 5.75 A)
&rst
ixpk= 2591, nxpk= 20, iat= 373, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 75 LEU HN 47 TYR HB- 5.50 (# 2593:20 Unique 2.68, 4.14 A)
&rst
ixpk= 2593, nxpk= 20, iat=1145, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 754, 755,
&end
#
# 66 TYR HN 61 LEU HB+ 5.50 (# 2595:20 Unique 3.64, 4.66 A)
&rst
ixpk= 2595, nxpk= 20, iat=1024, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 959, 960,
&end
#
# 60 ILE HN 61 LEU HG 5.50 (# 2596:20 Unique 4.68, 4.76 A)
&rst
ixpk= 2596, nxpk= 20, iat= 936, 962, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2597 52 ARG HG- 5.50 (# 2597:20 Single Ambig)
&rst
ixpk= 2597, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 884, 885, 872,
igr2= 820, 821,
&end
#
# 0 AMB 20-2:2598 0 AMB 20-1:2598 5.50 (# 2598:20 Double Ambig)
&rst
ixpk= 2598, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1099,1100, 466,
igr2= 719, 720, 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:2599 69 VAL HA 3.50 (# 2599:20 Single Ambig)
&rst
ixpk= 2599, nxpk= 20, iat= -1,1078, 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
#
# 0 AMB 20-2:2600 48 CYS HA 5.50 (# 2600:20 Single Ambig)
&rst
ixpk= 2600, nxpk= 20, iat= -1, 773, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1154,1155,1156,1158,1159,1160, 107, 108, 109, 111,
112, 113,
&end
#
# 0 AMB 20-2:2601 48 CYS HA 5.50 (# 2601:20 Single Ambig)
&rst
ixpk= 2601, nxpk= 20, iat= -1, 773, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 124, 125, 124, 125,
&end
#
# 48 CYS HB+ 48 CYS HA 5.50 (# 2602:20 Unique 2.38, 2.68 A)
&rst
ixpk= 2602, nxpk= 20, iat= -1, 773, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 775, 776,
&end
#
# 0 AMB 20-2:2603 48 CYS HA 5.50 (# 2603:20 Single Ambig)
&rst
ixpk= 2603, nxpk= 20, iat= -1, 773, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 750,1138,
&end
#
# 0 AMB 20-2:2605 68 HIS HA 5.50 (# 2605:20 Single Ambig)
&rst
ixpk= 2605, 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
#
# 1 ALA MB 2 GLU HA 5.50 (# 2606:20 Unique 4.29, 5.16 A)
&rst
ixpk= 2606, nxpk= 20, iat= -1, 16, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 8, 9, 10,
&end
#
# 42 ASP HB- 2 GLU HA 5.50 (# 2607:20 Unique 4.82, 5.48 A)
&rst
ixpk= 2607, nxpk= 20, iat= -1, 16, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 674, 675,
&end
#
# 0 AMB 20-2:2608 0 AMB 20-1:2608 2.80 (# 2608:20 Double Ambig)
&rst
ixpk= 2608, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 454, 455, 504, 505, 504, 505,
igr2= 429, 430, 482, 483, 482, 483,
&end
#
# 21 ALA MB 4 TRP HB- 4.50 (# 2611:20 Unique 2.42, 4.46 A)
&rst
ixpk= 2611, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 334, 335, 336,
igr2= 50, 51,
&end
#
# 21 ALA MB 4 TRP HB+ 4.50 (# 2612:20 Unique 2.42, 4.46 A)
&rst
ixpk= 2612, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 334, 335, 336,
igr2= 50, 51,
&end
#
# 8 ARG HN 7 VAL HB 5.50 (# 2613:20 Unique 4.39, 4.59 A)
&rst
ixpk= 2613, nxpk= 20, iat= 117, 105, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 LEU HB+ 7 VAL HB 4.50 (# 2614:20 Unique 3.06, 4.06 A)
&rst
ixpk= 2614, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 410, 411,
&end
#
# 0 AMB 20-2:2615 7 VAL MGX 5.50 (# 2615:20 Single Ambig)
&rst
ixpk= 2615, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 738, 74,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 8 ARG HA 7 VAL MGX 5.50 (# 2616:20 Unique 4.02, 6.08 A)
&rst
ixpk= 2616, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:2617 8 ARG HA 5.50 (# 2617:20 Single Ambig)
&rst
ixpk= 2617, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 127, 128, 393, 394,
&end
#
# 0 AMB 20-2:2618 8 ARG HA 4.50 (# 2618:20 Single Ambig)
&rst
ixpk= 2618, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 841, 842, 410, 411, 396, 397,
&end
#
# 8 ARG HD+ 8 ARG HB- 4.50 (# 2619:20 Unique 2.30, 2.83 A)
&rst
ixpk= 2619, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 127, 128,
igr2= 121, 122,
&end
#
# 8 ARG HA 0 AMB 20-1:2620 5.50 (# 2620:20 Single Ambig)
&rst
ixpk= 2620, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 124, 125, 124, 125,
&end
#
# 0 AMB 20-2:2621 0 AMB 20-1:2621 4.50 (# 2621:20 Double Ambig)
&rst
ixpk= 2621, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 121, 122, 121, 122,
igr2= 124, 125, 124, 125,
&end
#
# 53 GLN HB- 0 AMB 20-1:2622 3.50 (# 2622:20 Single Ambig)
&rst
ixpk= 2622, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 841, 842,
igr2= 124, 125, 124, 125,
&end
#
# 53 GLN HB- 8 ARG HD+ 4.50 (# 2623:20 Unique 4.22, 5.93 A)
&rst
ixpk= 2623, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 841, 842,
igr2= 127, 128,
&end
#
# 10 PRO HA 10 PRO HB+ 3.50 (# 2624:20 Unique 2.28, 2.61 A)
&rst
ixpk= 2624, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 164, 165,
&end
#
# 0 AMB 20-2:2625 0 AMB 20-1:2625 2.80 (# 2625:20 Double Ambig)
&rst
ixpk= 2625, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 161, 162, 454, 455, 399, 400,
igr2= 164, 165, 429, 430, 429, 430,
&end
#
# 10 PRO HA 0 AMB 20-1:2626 4.50 (# 2626:20 Single Ambig)
&rst
ixpk= 2626, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 158, 159, 158, 159,
&end
#
# 0 AMB 20-2:2627 12 GLN HA 3.50 (# 2627:20 Single Ambig)
&rst
ixpk= 2627, nxpk= 20, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 193, 194, 231, 232, 231, 232,
&end
#
# 12 GLN HG- 0 AMB 20-1:2628 3.50 (# 2628:20 Single Ambig)
&rst
ixpk= 2628, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 193, 194,
igr2= 190, 191, 190, 191,
&end
#
# 0 AMB 20-2:2629 0 AMB 20-1:2629 3.50 (# 2629:20 Double Ambig)
&rst
ixpk= 2629, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 193, 194, 193, 194,
igr2= 190, 191, 190, 191,
&end
#
# 0 AMB 20-2:2630 0 AMB 20-1:2630 2.80 (# 2630:20 Double Ambig)
&rst
ixpk= 2630, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 190, 191, 190, 191,
igr2= 193, 194, 193, 194,
&end
#
# 56 GLN HA 56 GLN HG+ 3.50 (# 2631:20 Unique 2.38, 3.00 A)
&rst
ixpk= 2631, nxpk= 20, iat= 874, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 879, 880,
&end
#
# 56 GLN HB- 56 GLN HG+ 2.80 (# 2632:20 Unique 2.28, 2.72 A)
&rst
ixpk= 2632, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 876, 877,
igr2= 879, 880,
&end
#
# 56 GLN HB- 56 GLN HG- 2.80 (# 2633:20 Unique 2.28, 2.72 A)
&rst
ixpk= 2633, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 876, 877,
igr2= 879, 880,
&end
#
# 0 AMB 20-2:2634 0 AMB 20-1:2634 3.50 (# 2634:20 Double Ambig)
&rst
ixpk= 2634, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 228, 229, 228, 229,
igr2= 231, 232, 231, 232,
&end
#
# 18 VAL HA 17 HIS HB- 5.50 (# 2637:20 Unique 4.93, 5.60 A)
&rst
ixpk= 2637, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 277, 278,
&end
#
# 80 MET HN 18 VAL MGY 5.50 (# 2638:20 Unique 3.69, 5.34 A)
&rst
ixpk= 2638, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 19 GLN HG- 19 GLN HB+ 2.80 (# 2639:20 Unique 2.18, 2.63 A)
&rst
ixpk= 2639, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 313, 314,
igr2= 310, 311,
&end
#
# 19 GLN HB- 19 GLN HG+ 3.50 (# 2640:20 Unique 2.18, 2.63 A)
&rst
ixpk= 2640, 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- 3.50 (# 2641:20 Unique 2.18, 2.63 A)
&rst
ixpk= 2641, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 310, 311,
igr2= 313, 314,
&end
#
# 0 AMB 20-2:2642 22 ILE HB 2.80 (# 2642:20 Single Ambig)
&rst
ixpk= 2642, nxpk= 20, iat= -1, 344, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 346, 347, 348, 353, 354, 355,
&end
#
# 0 AMB 20-2:2643 22 ILE HB 3.50 (# 2643:20 Single Ambig)
&rst
ixpk= 2643, nxpk= 20, iat= -1, 344, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 83, 84, 85, 76, 77, 78, 386, 387, 388,
&end
#
# 22 ILE HA 22 ILE QD1 5.50 (# 2644:20 Unique 2.63, 4.99 A)
&rst
ixpk= 2644, nxpk= 20, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 353, 354, 355,
&end
#
# 13 TYR HB+ 23 ASN HB+ 5.50 (# 2645:20 Unique 2.53, 4.63 A)
&rst
ixpk= 2645, 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 (# 2646:20 Unique 2.42, 3.50 A)
&rst
ixpk= 2646, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 363, 364,
&end
#
# 0 AMB 20-2:2647 24 ILE HA 4.50 (# 2647:20 Single Ambig)
&rst
ixpk= 2647, nxpk= 20, iat= -1, 375, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 377, 399, 400,
&end
#
# 24 ILE HN 24 ILE HB 3.50 (# 2648:20 Unique 2.70, 2.88 A)
&rst
ixpk= 2648, nxpk= 20, iat= 373, 377, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:2649 24 ILE HG1- 5.50 (# 2649:20 Single Ambig)
&rst
ixpk= 2649, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 519, 520, 344,
igr2= 383, 384,
&end
#
# 27 LYS HA 26 LEU MDX 5.50 (# 2650:20 Unique 2.69, 5.80 A)
&rst
ixpk= 2650, nxpk= 20, iat= 427, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 28 GLU HN 24 ILE QG2 4.50 (# 2651:20 Unique 4.30, 5.52 A)
&rst
ixpk= 2651, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 379, 380, 381,
&end
#
# 28 GLU HB+ 24 ILE QG2 4.50 (# 2652:20 Unique 3.23, 4.73 A)
&rst
ixpk= 2652, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 451, 452,
igr2= 379, 380, 381,
&end
#
# 0 AMB 20-2:2653 24 ILE QG2 3.50 (# 2653:20 Single Ambig)
&rst
ixpk= 2653, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 383, 384, 107, 108, 109, 111, 112, 113,
igr2= 379, 380, 381,
&end
#
# 25 PRO HB- 25 PRO HA 4.50 (# 2654:20 Unique 2.35, 2.69 A)
&rst
ixpk= 2654, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 399, 400,
&end
#
# 0 AMB 20-2:2655 0 AMB 20-1:2655 4.50 (# 2655:20 Double Ambig)
&rst
ixpk= 2655, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 410, 411, 410, 411, 429, 430,
igr2= 402, 856,
&end
#
# 25 PRO HB+ 25 PRO HA 4.50 (# 2656:20 Unique 2.35, 2.69 A)
&rst
ixpk= 2656, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 399, 400,
&end
#
# 7 VAL HB 0 AMB 20-1:2657 5.50 (# 2657:20 Single Ambig)
&rst
ixpk= 2657, nxpk= 20, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 402, 856,
&end
#
# 7 VAL HA 25 PRO HA 4.50 (# 2658:20 Unique 2.38, 2.75 A)
&rst
ixpk= 2658, nxpk= 20, iat= 103, 402, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 ASN HD2+ 25 PRO HA 5.50 (# 2659:20 Unique 3.37, 4.28 A)
&rst
ixpk= 2659, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 368, 369,
&end
#
# 8 ARG HN 25 PRO HA 5.50 (# 2660:20 Unique 3.01, 3.64 A)
&rst
ixpk= 2660, nxpk= 20, iat= 117, 402, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 LEU HN 25 PRO HA 3.50 (# 2661:20 Unique 2.16, 2.23 A)
&rst
ixpk= 2661, nxpk= 20, iat= 406, 402, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 GLU HN 25 PRO HA 5.50 (# 2662:20 Unique 4.67, 4.83 A)
&rst
ixpk= 2662, nxpk= 20, iat= 447, 402, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 25 PRO HD- 25 PRO HA 5.50 (# 2664:20 Unique 3.54, 3.72 A)
&rst
ixpk= 2664, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 393, 394,
&end
#
# 25 PRO HD+ 25 PRO HA 5.50 (# 2665:20 Unique 3.54, 3.72 A)
&rst
ixpk= 2665, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 393, 394,
&end
#
# 0 AMB 20-2:2666 0 AMB 20-1:2666 3.50 (# 2666:20 Double Ambig)
&rst
ixpk= 2666, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.85, r4= 7.60,
igr1=1245,1246, 158, 159, 158, 159, 402,
igr2=1248,1249, 396, 397, 396, 397, 396, 397,
&end
#
# 25 PRO HB- 25 PRO HG- 2.80 (# 2667:20 Unique 2.36, 2.63 A)
&rst
ixpk= 2667, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 399, 400,
igr2= 396, 397,
&end
#
# 24 ILE HG1- 25 PRO HD+ 5.50 (# 2668:20 Unique 4.64, 5.23 A)
&rst
ixpk= 2668, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 383, 384,
igr2= 393, 394,
&end
#
# 24 ILE HG1- 25 PRO HD- 5.50 (# 2669:20 Unique 4.64, 5.23 A)
&rst
ixpk= 2669, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 383, 384,
igr2= 393, 394,
&end
#
# 0 AMB 20-2:2670 0 AMB 20-1:2670 4.50 (# 2670:20 Double Ambig)
&rst
ixpk= 2670, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 451, 452, 399, 400, 454, 455,
igr2= 393, 394, 393, 394, 393, 394,
&end
#
# 0 AMB 20-2:2671 25 PRO HD- 4.50 (# 2671:20 Single Ambig)
&rst
ixpk= 2671, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 451, 452, 399, 400, 454, 455,
igr2= 393, 394,
&end
#
# 25 PRO HG- 25 PRO HD+ 3.50 (# 2672:20 Unique 2.33, 2.61 A)
&rst
ixpk= 2672, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 396, 397,
igr2= 393, 394,
&end
#
# 28 GLU HN 25 PRO HD+ 5.50 (# 2673:20 Unique 4.28, 5.26 A)
&rst
ixpk= 2673, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 393, 394,
&end
#
# 27 LYS HN 26 LEU HA 5.50 (# 2674:20 Unique 3.56, 3.58 A)
&rst
ixpk= 2674, nxpk= 20, iat= 425, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2675 26 LEU HA 5.50 (# 2675:20 Single Ambig)
&rst
ixpk= 2675, nxpk= 20, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 447, 478,
&end
#
# 26 LEU HG 26 LEU HA 4.50 (# 2676:20 Unique 3.10, 3.26 A)
&rst
ixpk= 2676, nxpk= 20, iat= 413, 408, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 27 LYS HA 26 LEU HB- 5.50 (# 2677:20 Unique 4.33, 5.07 A)
&rst
ixpk= 2677, nxpk= 20, iat= 427, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 410, 411,
&end
#
# 26 LEU HB- 26 LEU HG 2.80 (# 2680:20 Unique 2.30, 2.76 A)
&rst
ixpk= 2680, nxpk= 20, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 410, 411,
&end
#
# 26 LEU MDY 27 LYS HA 5.50 (# 2681:20 Unique 2.69, 5.80 A)
&rst
ixpk= 2681, nxpk= 20, iat= -1, 427, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 20-2:2682 0 AMB 20-1:2682 3.50 (# 2682:20 Double Ambig)
&rst
ixpk= 2682, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 485, 486, 432, 433, 432, 433,
igr2= 482, 483, 429, 430,
&end
#
# 28 GLU HN 28 GLU HB- 4.50 (# 2683:20 Unique 2.52, 3.19 A)
&rst
ixpk= 2683, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 451, 452,
&end
#
# 29 VAL HN 28 GLU HB+ 5.50 (# 2684:20 Unique 2.98, 3.79 A)
&rst
ixpk= 2684, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 451, 452,
&end
#
# 32 ARG HD- 28 GLU HB+ 4.50 (# 2685:20 Unique 2.12, 2.99 A)
&rst
ixpk= 2685, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 525, 526,
igr2= 451, 452,
&end
#
# 59 GLU HN 58 LYS HG+ 5.50 (# 2687:20 Unique 4.34, 4.76 A)
&rst
ixpk= 2687, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 906, 907,
&end
#
# 0 AMB 20-2:2689 0 AMB 20-1:2689 2.80 (# 2689:20 Double Ambig)
&rst
ixpk= 2689, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.20, r4= 7.95,
igr1= 482, 483, 488, 489, 488, 489,1306,1307,1306,1307,
1306,1307,1300,1301, 435, 436, 435, 436,
igr2= 485, 486,1303,1304,1303,1304,1303,1304,1303,1304,
432, 433, 432, 433, 432, 433,
&end
#
# 0 AMB 20-2:2690 0 AMB 20-1:2690 3.50 (# 2690:20 Double Ambig)
&rst
ixpk= 2690, 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= 906, 907, 906, 907,
&end
#
# 33 ILE QG2 31 GLU HA 5.50 (# 2691:20 Unique 3.48, 5.05 A)
&rst
ixpk= 2691, nxpk= 20, iat= -1, 502, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 545, 546, 547,
&end
#
# 32 ARG HN 32 ARG HB- 3.50 (# 2692:20 Unique 2.16, 2.96 A)
&rst
ixpk= 2692, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 519, 520,
&end
#
# 32 ARG HD+ 32 ARG HG- 3.50 (# 2693:20 Unique 2.38, 2.69 A)
&rst
ixpk= 2693, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 525, 526,
igr2= 522, 523,
&end
#
# 33 ILE HN 32 ARG HG+ 5.50 (# 2694:20 Unique 4.15, 4.92 A)
&rst
ixpk= 2694, nxpk= 20, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 522, 523,
&end
#
# 33 ILE HN 32 ARG HG- 5.50 (# 2695:20 Unique 4.15, 4.92 A)
&rst
ixpk= 2695, nxpk= 20, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 522, 523,
&end
#
# 0 AMB 20-2:2697 0 AMB 20-1:2697 5.50 (# 2697:20 Double Ambig)
&rst
ixpk= 2697, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 454, 455, 504, 505, 504, 505,
igr2= 525, 526, 525, 526, 525, 526,
&end
#
# 64 MET HB- 33 ILE QG2 5.50 (# 2698:20 Unique 4.01, 5.40 A)
&rst
ixpk= 2698, 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 20-2:2699 0 AMB 20-1:2699 3.50 (# 2699:20 Double Ambig)
&rst
ixpk= 2699, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1208,1209, 543,
igr2=1211,1212,1213, 552, 553, 554,
&end
#
# 0 AMB 20-2:2700 33 ILE QD1 3.50 (# 2700:20 Single Ambig)
&rst
ixpk= 2700, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 598, 599, 600, 602, 603, 604, 549, 550,
igr2= 552, 553, 554,
&end
#
# 33 ILE QG2 33 ILE QD1 4.50 (# 2701:20 Unique 4.04, 4.82 A)
&rst
ixpk= 2701, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 545, 546, 547,
igr2= 552, 553, 554,
&end
#
# 34 ALA MB 34 ALA HA 2.80 (# 2702:20 Unique 2.44, 2.66 A)
&rst
ixpk= 2702, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 562, 563, 564,
&end
#
# 35 THR HB 35 THR HA 2.80 (# 2703:20 Unique 2.42, 2.68 A)
&rst
ixpk= 2703, nxpk= 20, iat= 572, 570, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 35 THR HA 35 THR HB 2.80 (# 2704:20 Unique 2.42, 2.68 A)
&rst
ixpk= 2704, nxpk= 20, iat= 570, 572, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:2705 0 AMB 20-1:2705 3.50 (# 2705:20 Double Ambig)
&rst
ixpk= 2705, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 427, 570,
igr2= 429, 430, 615, 616,
&end
#
# 38 PRO HB- 38 PRO HA 4.50 (# 2706:20 Unique 2.27, 2.55 A)
&rst
ixpk= 2706, nxpk= 20, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 615, 616,
&end
#
# 38 PRO HA 0 AMB 20-1:2707 4.50 (# 2707:20 Single Ambig)
&rst
ixpk= 2707, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 612, 613, 612, 613,
&end
#
# 38 PRO HB- 0 AMB 20-1:2708 2.80 (# 2708:20 Single Ambig)
&rst
ixpk= 2708, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 615, 616,
igr2= 612, 613, 612, 613,
&end
#
# 40 LYS HN 39 ASP HA 2.80 (# 2709:20 Unique 2.15, 2.25 A)
&rst
ixpk= 2709, nxpk= 20, iat= 634, 624, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 47 TYR HB- 75 LEU HA 5.50 (# 2710:20 Unique 2.24, 3.19 A)
&rst
ixpk= 2710, nxpk= 20, iat= -1,1147, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 754, 755,
&end
#
# 40 LYS HA 0 AMB 20-1:2711 4.50 (# 2711:20 Single Ambig)
&rst
ixpk= 2711, nxpk= 20, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 647, 648, 647, 648,
&end
#
# 0 AMB 20-2:2712 0 AMB 20-1:2712 2.80 (# 2712:20 Double Ambig)
&rst
ixpk= 2712, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 644, 645, 644, 645,
igr2= 647, 648, 647, 648,
&end
#
# 41 ASN HB+ 41 ASN HA 3.50 (# 2713:20 Unique 2.20, 2.72 A)
&rst
ixpk= 2713, nxpk= 20, iat= -1, 658, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 660, 661,
&end
#
# 44 VAL HA 44 VAL HB 4.50 (# 2715:20 Unique 3.03, 3.04 A)
&rst
ixpk= 2715, nxpk= 20, iat= 698, 700, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 45 LYS HN 45 LYS HA 5.50 (# 2716:20 Unique 2.95, 2.98 A)
&rst
ixpk= 2716, nxpk= 20, iat= 712, 714, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 VAL HN 45 LYS HA 3.50 (# 2717:20 Unique 2.12, 2.16 A)
&rst
ixpk= 2717, nxpk= 20, iat= 734, 714, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:2718 45 LYS HA 4.50 (# 2718:20 Single Ambig)
&rst
ixpk= 2718, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 719, 720, 716, 717,
&end
#
# 45 LYS HG+ 45 LYS HA 4.50 (# 2719:20 Unique 2.39, 2.72 A)
&rst
ixpk= 2719, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 719, 720,
&end
#
# 0 AMB 20-2:2720 45 LYS HA 5.50 (# 2720:20 Single Ambig)
&rst
ixpk= 2720, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 9.47, r4=10.22,
igr1= 702, 703, 704, 706, 707, 708, 740, 741, 742, 744,
745, 746, 722, 723,1082,1083,1084,1086,1087,1088,
1082,1083,1084,1086,1087,1088,
&end
#
# 45 LYS HB- 45 LYS HA 4.50 (# 2721:20 Unique 2.46, 2.78 A)
&rst
ixpk= 2721, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 716, 717,
&end
#
# 70 GLU HB- 45 LYS HA 5.50 (# 2722:20 Unique 2.60, 3.85 A)
&rst
ixpk= 2722, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1096,1097,
&end
#
# 45 LYS HD+ 45 LYS HG+ 2.80 (# 2723:20 Unique 2.43, 2.76 A)
&rst
ixpk= 2723, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 722, 723,
igr2= 719, 720,
&end
#
# 45 LYS HA 45 LYS HG+ 4.50 (# 2724:20 Unique 2.39, 2.72 A)
&rst
ixpk= 2724, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 719, 720,
&end
#
# 0 AMB 20-2:2725 45 LYS HD- 2.80 (# 2725:20 Single Ambig)
&rst
ixpk= 2725, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 719, 720, 716, 717,
igr2= 722, 723,
&end
#
# 46 VAL MGX 46 VAL HA 4.50 (# 2726:20 Unique 2.37, 3.49 A)
&rst
ixpk= 2726, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 740, 741, 742, 744, 745, 746,
&end
#
# 46 VAL MGY 0 AMB 20-1:2727 2.80 (# 2727:20 Single Ambig)
&rst
ixpk= 2727, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1= 740, 741, 742, 744, 745, 746,
igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 75 LEU HN 47 TYR HB+ 5.50 (# 2729:20 Unique 2.68, 4.14 A)
&rst
ixpk= 2729, nxpk= 20, iat=1145, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 754, 755,
&end
#
# 78 ILE HG1- 47 TYR HB- 5.50 (# 2731:20 Unique 2.47, 3.87 A)
&rst
ixpk= 2731, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1208,1209,
igr2= 754, 755,
&end
#
# 8 ARG HD- 48 CYS HA 5.50 (# 2732:20 Unique 3.12, 4.49 A)
&rst
ixpk= 2732, nxpk= 20, iat= -1, 773, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 127, 128,
&end
#
# 48 CYS HB- 48 CYS HA 5.50 (# 2733:20 Unique 2.38, 2.68 A)
&rst
ixpk= 2733, nxpk= 20, iat= -1, 773, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 775, 776,
&end
#
# 53 GLN HB- 48 CYS HA 5.50 (# 2734:20 Unique 4.42, 5.55 A)
&rst
ixpk= 2734, nxpk= 20, iat= -1, 773, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 841, 842,
&end
#
# 75 LEU MDX 49 ASN HA 5.50 (# 2735:20 Unique 3.51, 5.82 A)
&rst
ixpk= 2735, nxpk= 20, iat= -1, 784, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1154,1155,1156,1158,1159,1160,
&end
#
# 32 ARG HA 32 ARG HG- 5.50 (# 2736:20 Unique 2.46, 2.79 A)
&rst
ixpk= 2736, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 522, 523,
&end
#
# 52 ARG HA 55 GLY HA- 5.50 (# 2738:20 Unique 3.20, 4.31 A)
&rst
ixpk= 2738, nxpk= 20, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 867, 868,
&end
#
# 56 GLN HG+ 56 GLN HA 3.50 (# 2739:20 Unique 2.38, 3.00 A)
&rst
ixpk= 2739, nxpk= 20, iat= -1, 874, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 879, 880,
&end
#
# 0 AMB 20-2:2740 0 AMB 20-1:2740 4.50 (# 2740:20 Double Ambig)
&rst
ixpk= 2740, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 236, 237, 253, 254,
igr2= 228, 229, 228, 229,
&end
#
# 56 GLN HG+ 56 GLN HB+ 2.80 (# 2741:20 Unique 2.28, 2.72 A)
&rst
ixpk= 2741, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 879, 880,
igr2= 876, 877,
&end
#
# 58 LYS HG+ 58 LYS HB- 3.50 (# 2742:20 Unique 2.27, 2.65 A)
&rst
ixpk= 2742, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 906, 907,
igr2= 903, 904,
&end
#
# 58 LYS HD+ 58 LYS HB- 3.50 (# 2743:20 Unique 2.39, 3.19 A)
&rst
ixpk= 2743, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 909, 910,
igr2= 903, 904,
&end
#
# 71 ASN HN 58 LYS HD+ 5.50 (# 2746:20 Unique 3.68, 5.04 A)
&rst
ixpk= 2746, nxpk= 20, iat=1107, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 909, 910,
&end
#
# 58 LYS HN 58 LYS HD+ 5.50 (# 2747:20 Unique 4.46, 5.00 A)
&rst
ixpk= 2747, nxpk= 20, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:2748 0 AMB 20-1:2748 5.50 (# 2748:20 Double Ambig)
&rst
ixpk= 2748, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1094, 976,
igr2= 909, 910, 909, 910,
&end
#
# 59 GLU HA 58 LYS HD+ 5.50 (# 2749:20 Unique 2.84, 3.78 A)
&rst
ixpk= 2749, nxpk= 20, iat= 923, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 909, 910,
&end
#
# 58 LYS HA 58 LYS HD+ 5.50 (# 2750:20 Unique 3.53, 4.19 A)
&rst
ixpk= 2750, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:2751 0 AMB 20-1:2751 3.50 (# 2751:20 Double Ambig)
&rst
ixpk= 2751, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
igr1= 912, 913, 491, 492, 491, 492, 491, 492,
igr2= 909, 910, 488, 489, 488, 489, 488, 489,
&end
#
# 0 AMB 20-2:2752 0 AMB 20-1:2752 4.50 (# 2752:20 Double Ambig)
&rst
ixpk= 2752, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 928, 929,1111,1112,
igr2= 909, 910, 909, 910,
&end
#
# 0 AMB 20-2:2753 0 AMB 20-1:2753 3.50 (# 2753:20 Double Ambig)
&rst
ixpk= 2753, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 903, 904, 925, 926,
igr2= 909, 910, 909, 910,
&end
#
# 58 LYS HG+ 58 LYS HD- 2.80 (# 2754:20 Unique 2.29, 2.77 A)
&rst
ixpk= 2754, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 906, 907,
igr2= 909, 910,
&end
#
# 58 LYS HG+ 58 LYS HD+ 2.80 (# 2755:20 Unique 2.29, 2.77 A)
&rst
ixpk= 2755, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 906, 907,
igr2= 909, 910,
&end
#
# 58 LYS HG- 58 LYS HD- 3.50 (# 2756:20 Unique 2.29, 2.77 A)
&rst
ixpk= 2756, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 906, 907,
igr2= 909, 910,
&end
#
# 58 LYS HG- 58 LYS HD+ 4.50 (# 2757:20 Unique 2.29, 2.77 A)
&rst
ixpk= 2757, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 906, 907,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:2758 58 LYS HE- 5.50 (# 2758:20 Single Ambig)
&rst
ixpk= 2758, 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= 912, 913,
&end
#
# 58 LYS HG- 58 LYS HE- 4.50 (# 2759:20 Unique 2.22, 2.81 A)
&rst
ixpk= 2759, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 906, 907,
igr2= 912, 913,
&end
#
# 58 LYS HG- 58 LYS HE+ 3.50 (# 2760:20 Unique 2.22, 2.81 A)
&rst
ixpk= 2760, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 906, 907,
igr2= 912, 913,
&end
#
# 58 LYS HG+ 58 LYS HE+ 4.50 (# 2761:20 Unique 2.22, 2.81 A)
&rst
ixpk= 2761, 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 20-2:2762 0 AMB 20-1:2762 3.50 (# 2762:20 Double Ambig)
&rst
ixpk= 2762, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
igr1= 906, 907,1171,1172,1171,1172,1171,1172,
igr2= 912, 913,1177,1178,1177,1178,1177,1178,
&end
#
# 0 AMB 20-2:2763 0 AMB 20-1:2763 3.50 (# 2763:20 Double Ambig)
&rst
ixpk= 2763, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
igr1= 909, 910, 432, 433, 432, 433, 432, 433,
igr2= 912, 913, 438, 439, 438, 439, 438, 439,
&end
#
# 58 LYS HD+ 58 LYS HE+ 3.50 (# 2764:20 Unique 2.38, 2.76 A)
&rst
ixpk= 2764, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 909, 910,
igr2= 912, 913,
&end
#
# 0 AMB 20-2:2765 0 AMB 20-1:2765 2.80 (# 2765:20 Double Ambig)
&rst
ixpk= 2765, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.58, r4= 7.33,
igr1= 435, 436, 435, 436, 435, 436, 909, 910,1174,1175,
1174,1175,
igr2= 438, 439, 438, 439, 438, 439, 912, 913,1177,1178,
1177,1178,1177,1178,
&end
#
# 0 AMB 20-2:2767 0 AMB 20-1:2767 5.50 (# 2767:20 Double Ambig)
&rst
ixpk= 2767, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1164,1107,
igr2=1177,1178,1177,1178, 912, 913,
&end
#
# 59 GLU HG+ 59 GLU HA 4.50 (# 2768:20 Unique 2.40, 3.07 A)
&rst
ixpk= 2768, nxpk= 20, iat= -1, 923, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 928, 929,
&end
#
# 59 GLU HG- 59 GLU HA 3.50 (# 2769:20 Unique 2.40, 3.07 A)
&rst
ixpk= 2769, nxpk= 20, iat= -1, 923, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 928, 929,
&end
#
# 0 AMB 20-2:2770 59 GLU HA 2.80 (# 2770:20 Single Ambig)
&rst
ixpk= 2770, nxpk= 20, iat= -1, 923, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 925, 926, 925, 926,
&end
#
# 58 LYS HG+ 59 GLU HA 5.50 (# 2771:20 Unique 4.50, 5.35 A)
&rst
ixpk= 2771, nxpk= 20, iat= -1, 923, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 906, 907,
&end
#
# 0 AMB 20-2:2772 0 AMB 20-1:2772 4.50 (# 2772:20 Double Ambig)
&rst
ixpk= 2772, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1007,1008,1007,1008, 491, 492, 491, 492, 491, 492,
igr2= 989, 990, 989, 990, 989, 990, 989, 990,
&end
#
# 0 AMB 20-2:2773 0 AMB 20-1:2773 5.50 (# 2773:20 Double Ambig)
&rst
ixpk= 2773, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 912, 913, 912, 913,
igr2= 925, 926, 925, 926,
&end
#
# 61 LEU MDY 61 LEU HA 3.50 (# 2775:20 Unique 2.15, 3.75 A)
&rst
ixpk= 2775, nxpk= 20, iat= -1, 957, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 964, 965, 966, 968, 969, 970,
&end
#
# 61 LEU HB+ 61 LEU HA 3.50 (# 2776:20 Unique 2.44, 2.77 A)
&rst
ixpk= 2776, nxpk= 20, iat= -1, 957, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 959, 960,
&end
#
# 60 ILE HN 61 LEU HA 5.50 (# 2778:20 Unique 5.30, 5.39 A)
&rst
ixpk= 2778, nxpk= 20, iat= 936, 957, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 SER HN 61 LEU HA 5.50 (# 2779:20 Unique 3.51, 3.55 A)
&rst
ixpk= 2779, nxpk= 20, iat= 974, 957, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 SER HA 62 SER HB+ 4.50 (# 2780:20 Unique 2.41, 2.74 A)
&rst
ixpk= 2780, nxpk= 20, iat= 976, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 978, 979,
&end
#
# 62 SER HA 0 AMB 20-1:2781 4.50 (# 2781:20 Single Ambig)
&rst
ixpk= 2781, nxpk= 20, iat= 976, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 978, 979, 978, 979,
&end
#
# 0 AMB 20-2:2784 0 AMB 20-1:2784 5.50 (# 2784:20 Double Ambig)
&rst
ixpk= 2784, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 989, 990, 989, 990,
igr2= 978, 979, 978, 979,
&end
#
# 0 AMB 20-2:2785 62 SER HB- 5.50 (# 2785:20 Single Ambig)
&rst
ixpk= 2785, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 925, 926, 925, 926, 989, 990, 989, 990,
igr2= 978, 979,
&end
#
# 63 GLU HG- 63 GLU HA 3.50 (# 2786:20 Unique 2.40, 2.85 A)
&rst
ixpk= 2786, nxpk= 20, iat= -1, 987, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 992, 993,
&end
#
# 0 AMB 20-2:2787 0 AMB 20-1:2787 2.80 (# 2787:20 Double Ambig)
&rst
ixpk= 2787, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1= 992, 993, 992, 993, 928, 929, 928, 929,
igr2= 989, 990, 989, 990, 925, 926, 925, 926,
&end
#
# 0 AMB 20-2:2788 0 AMB 20-1:2788 2.80 (# 2788:20 Double Ambig)
&rst
ixpk= 2788, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
igr1= 992, 993, 928, 929,
igr2= 989, 990, 989, 990, 925, 926, 925, 926,
&end
#
# 0 AMB 20-2:2789 0 AMB 20-1:2789 2.80 (# 2789:20 Double Ambig)
&rst
ixpk= 2789, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 121, 122, 190, 191, 190, 191,1011,1012,1013,
igr2= 193, 194,1004,1005,
&end
#
# 61 LEU HA 64 MET HB- 4.50 (# 2790:20 Unique 2.09, 3.00 A)
&rst
ixpk= 2790, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1004,1005,
&end
#
# 0 AMB 20-2:2791 0 AMB 20-1:2791 3.50 (# 2791:20 Double Ambig)
&rst
ixpk= 2791, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 839,1002,
igr2= 879, 880,1004,1005,
&end
#
# 56 GLN HE2- 56 GLN HG- 5.50 (# 2792:20 Unique 2.17, 3.39 A)
&rst
ixpk= 2792, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 884, 885,
igr2= 879, 880,
&end
#
# 0 AMB 20-2:2793 67 THR MG2 3.50 (# 2793:20 Single Ambig)
&rst
ixpk= 2793, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1047,1049,
igr2=1051,1052,1053,
&end
#
# 70 GLU HA 70 GLU HB+ 3.50 (# 2794:20 Unique 2.46, 2.77 A)
&rst
ixpk= 2794, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1096,1097,
&end
#
# 71 ASN HN 70 GLU HG+ 5.50 (# 2795:20 Unique 2.55, 3.68 A)
&rst
ixpk= 2795, nxpk= 20, iat=1107, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1099,1100,
&end
#
# 0 AMB 20-2:2796 70 GLU HG- 5.50 (# 2796:20 Single Ambig)
&rst
ixpk= 2796, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1078,1061,
igr2=1099,1100,
&end
#
# 0 AMB 20-2:2797 70 GLU HG- 5.50 (# 2797:20 Single Ambig)
&rst
ixpk= 2797, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1109, 714,
igr2=1099,1100,
&end
#
# 70 GLU HB- 70 GLU HG- 3.50 (# 2798:20 Unique 2.27, 2.71 A)
&rst
ixpk= 2798, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1096,1097,
igr2=1099,1100,
&end
#
# 45 LYS HG+ 70 GLU HG+ 5.50 (# 2799:20 Unique 3.71, 5.23 A)
&rst
ixpk= 2799, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 719, 720,
igr2=1099,1100,
&end
#
# 45 LYS HG+ 70 GLU HG- 5.50 (# 2800:20 Unique 3.71, 5.23 A)
&rst
ixpk= 2800, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 719, 720,
igr2=1099,1100,
&end
#
# 70 GLU HB+ 70 GLU HG- 2.80 (# 2801:20 Unique 2.27, 2.71 A)
&rst
ixpk= 2801, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1096,1097,
igr2=1099,1100,
&end
#
# 72 ALA HN 71 ASN HB- 5.50 (# 2802:20 Unique 4.25, 4.40 A)
&rst
ixpk= 2802, nxpk= 20, iat=1121, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1111,1112,
&end
#
# 70 GLU HA 71 ASN HB- 5.50 (# 2803:20 Unique 4.40, 4.70 A)
&rst
ixpk= 2803, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1111,1112,
&end
#
# 0 AMB 20-2:2804 71 ASN HB- 5.50 (# 2804:20 Single Ambig)
&rst
ixpk= 2804, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 909, 910,1096,1097,
igr2=1111,1112,
&end
#
# 75 LEU HB- 75 LEU HA 3.50 (# 2805:20 Unique 2.37, 2.75 A)
&rst
ixpk= 2805, nxpk= 20, iat= -1,1147, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1149,1150,
&end
#
# 0 AMB 20-2:2806 0 AMB 20-1:2806 3.50 (# 2806:20 Double Ambig)
&rst
ixpk= 2806, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 638, 639,1149,1150,
igr2= 636,1147,
&end
#
# 76 LYS HB- 0 AMB 20-1:2809 3.50 (# 2809:20 Single Ambig)
&rst
ixpk= 2809, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1168,1169,
igr2=1171,1172,1171,1172,
&end
#
# 76 LYS HN 0 AMB 20-1:2810 5.50 (# 2810:20 Single Ambig)
&rst
ixpk= 2810, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1174,1175,1174,1175,
&end
#
# 0 AMB 20-2:2811 33 ILE HA 4.50 (# 2811:20 Single Ambig)
&rst
ixpk= 2811, nxpk= 20, iat= -1, 541, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 586, 587, 588, 549, 550,
&end
#
# 79 ALA MB 78 ILE QG2 5.50 (# 2812:20 Unique 4.37, 6.23 A)
&rst
ixpk= 2812, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1221,1222,1223,
igr2=1204,1205,1206,
&end
#
# 0 AMB 20-2:2815 0 AMB 20-1:2815 5.50 (# 2815:20 Double Ambig)
&rst
ixpk= 2815, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1217, 306,
igr2=1234,1235,1234,1235,
&end
#
# 81 PRO HD+ 80 MET HG+ 5.50 (# 2816:20 Unique 3.39, 4.68 A)
&rst
ixpk= 2816, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1245,1246,
igr2=1234,1235,
&end
#
# 80 MET HN 81 PRO HD+ 5.50 (# 2817:20 Unique 4.62, 4.95 A)
&rst
ixpk= 2817, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1245,1246,
&end
#
# 83 VAL MGX 83 VAL HA 4.50 (# 2819:20 Unique 2.38, 3.50 A)
&rst
ixpk= 2819, 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
#
# 83 VAL MGX 83 VAL HB 3.50 (# 2820:20 Unique 2.37, 2.65 A)
&rst
ixpk= 2820, 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
#
# 0 AMB 20-2:2823 0 AMB 20-1:2823 3.50 (# 2823:20 Double Ambig)
&rst
ixpk= 2823, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.77, r4= 8.52,
igr1=1271,1272,1309,1310,1309,1310,1309,1310, 491, 492,
491, 492,
igr2=1265,1266,1303,1304,1303,1304,1303,1304, 485, 486,
&end
#
# 0 AMB 20-2:2824 0 AMB 20-1:2824 4.50 (# 2824:20 Double Ambig)
&rst
ixpk= 2824, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 262, 263, 262, 263,
igr2=1303,1304,1303,1304,
&end
#
# 0 AMB 20-2:2825 0 AMB 20-1:2825 3.50 (# 2825:20 Double Ambig)
&rst
ixpk= 2825, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.01, r4= 8.76,
igr1=1309,1310,1309,1310,1309,1310, 438, 439, 438, 439,
438, 439,
igr2=1306,1307,1306,1307,1306,1307, 435, 436, 435, 436,
435, 436,
&end
#
# 0 AMB 20-2:2826 0 AMB 20-1:2826 2.80 (# 2826:20 Double Ambig)
&rst
ixpk= 2826, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1=1300,1301,1300,1301, 429, 430, 429, 430,
igr2=1306,1307,1306,1307, 435, 436, 435, 436,
&end
#
# 0 AMB 20-2:2827 0 AMB 20-1:2827 2.80 (# 2827:20 Double Ambig)
&rst
ixpk= 2827, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1=1303,1304,1303,1304,1303,1304, 432, 433, 432, 433,
432, 433,
igr2=1306,1307,1306,1307,1306,1307, 435, 436, 435, 436,
435, 436,
&end
#
# 0 AMB 20-2:2828 0 AMB 20-1:2828 2.80 (# 2828:20 Double Ambig)
&rst
ixpk= 2828, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
igr1= 482, 483,1300,1301,1306,1307,1306,1307,1306,1307,
488, 489, 488, 489, 488, 489,
igr2= 491, 492, 491, 492,1309,1310,1309,1310,1309,1310,
1309,1310, 491, 492, 491, 492,
&end
#
# 83 VAL MGY 85 GLY HA+ 5.50 (# 2829:20 Unique 4.79, 7.96 A)
&rst
ixpk= 2829, 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=1320,1321,
&end
#
# 0 AMB 20-2:2831 30 LYS HG- 4.50 (# 2831:20 Single Ambig)
&rst
ixpk= 2831, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 491, 492, 491, 492,1007,1008,
igr2= 485, 486,
&end
#
# 0 AMB 20-2:2832 30 LYS HG- 4.50 (# 2832:20 Single Ambig)
&rst
ixpk= 2832, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
igr1=1011,1012,1013, 507, 508, 507, 508,
igr2= 485, 486,
&end
#
# 0 AMB 20-2:2833 30 LYS HG- 5.50 (# 2833:20 Single Ambig)
&rst
ixpk= 2833, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 504, 505, 504, 505,
igr2= 485, 486,
&end
#
# 0 AMB 20-2:2834 0 AMB 20-1:2834 2.80 (# 2834:20 Double Ambig)
&rst
ixpk= 2834, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 482, 483, 488, 489, 488, 489,
igr2= 485, 486, 485, 486, 485, 486,
&end
#
# 0 AMB 20-2:2835 30 LYS HG- 2.80 (# 2835:20 Single Ambig)
&rst
ixpk= 2835, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 482, 483, 488, 489, 488, 489,
igr2= 485, 486,
&end
#
# 30 LYS HB+ 30 LYS HG+ 2.80 (# 2836:20 Unique 2.28, 2.75 A)
&rst
ixpk= 2836, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 482, 483,
igr2= 485, 486,
&end
#
# 30 LYS HB+ 30 LYS HG- 2.80 (# 2837:20 Unique 2.28, 2.75 A)
&rst
ixpk= 2837, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 482, 483,
igr2= 485, 486,
&end
#
# 54 SER HB- 54 SER HA 4.50 (# 2839:20 Unique 2.20, 2.59 A)
&rst
ixpk= 2839, nxpk= 20, iat= -1, 856, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 858, 859,
&end
#
# 0 AMB 20-2:2840 0 AMB 20-1:2840 5.50 (# 2840:20 Double Ambig)
&rst
ixpk= 2840, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 750, 734,
igr2= 858, 859, 858, 859,
&end
#
# 55 GLY HN 54 SER HB+ 5.50 (# 2841:20 Unique 2.31, 3.56 A)
&rst
ixpk= 2841, nxpk= 20, iat= 865, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 858, 859,
&end
#
# 46 VAL HB 54 SER HB+ 5.50 (# 2842:20 Unique 2.33, 3.68 A)
&rst
ixpk= 2842, nxpk= 20, iat= 738, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 858, 859,
&end
#
# 72 ALA MB 73 GLY HA- 5.50 (# 2843:20 Unique 4.22, 5.41 A)
&rst
ixpk= 2843, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1125,1126,1127,
igr2=1133,1134,
&end
#
# 72 ALA MB 73 GLY HA+ 5.50 (# 2844:20 Unique 4.22, 5.41 A)
&rst
ixpk= 2844, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1125,1126,1127,
igr2=1133,1134,
&end
#
# 78 ILE QD1 73 GLY HA- 5.50 (# 2845:20 Unique 2.73, 5.40 A)
&rst
ixpk= 2845, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1211,1212,1213,
igr2=1133,1134,
&end
#
# 82 LYS HN 82 LYS HD+ 5.50 (# 2847:20 Unique 2.76, 4.75 A)
&rst
ixpk= 2847, nxpk= 20, iat=1258, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1268,1269,
&end
#
# 18 VAL HA 19 GLN HN 2.80 (# 1:10 Unique 2.06, 2.16 A)
&rst
ixpk= 1, nxpk= 10, iat= 292, 306, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
&end
#
# 19 GLN HB- 19 GLN HN 3.50 (# 2:10 Unique 2.22, 2.55 A)
&rst
ixpk= 2, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 310, 311,
&end
#
# 19 GLN HA 19 GLN HN 4.50 (# 3:10 Unique 2.76, 2.84 A)
&rst
ixpk= 3, nxpk= 10, iat= 308, 306, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 19 GLN HB+ 19 GLN HN 3.50 (# 4:10 Unique 2.22, 2.55 A)
&rst
ixpk= 4, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 310, 311,
&end
#
# 18 VAL MGX 19 GLN HN 4.50 (# 5:10 Unique 2.82, 4.25 A)
&rst
ixpk= 5, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 296, 297, 298, 300, 301, 302,
&end
#
# 73 GLY HN 72 ALA HN 4.50 (# 6:10 Unique 2.38, 2.63 A)
&rst
ixpk= 6, 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 (# 7:10 Unique 2.14, 2.19 A)
&rst
ixpk= 7, 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 (# 8:10 Unique 2.37, 2.87 A)
&rst
ixpk= 8, nxpk= 10, iat= -1,1121, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1125,1126,1127,
&end
#
# 72 ALA HA 72 ALA HN 4.50 (# 9:10 Unique 2.85, 2.88 A)
&rst
ixpk= 9, nxpk= 10, iat=1123,1121, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 VAL HB 44 VAL HN 3.50 (# 14:10 Unique 2.20, 2.51 A)
&rst
ixpk= 14, nxpk= 10, iat= 700, 696, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 69 VAL HA 44 VAL HN 4.50 (# 15:10 Unique 2.33, 2.68 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 2.90, 2.97 A)
&rst
ixpk= 17, nxpk= 10, iat= 698, 696, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 THR MG2 44 VAL HN 4.50 (# 18:10 Unique 2.59, 3.73 A)
&rst
ixpk= 18, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 688, 689, 690,
&end
#
# 0 AMB 10-2:19 44 VAL HN 4.50 (# 19:10 Single Ambig)
&rst
ixpk= 19, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
1087,1088,
&end
#
# 4 TRP HA 45 LYS HN 4.50 (# 20:10 Unique 2.68, 3.05 A)
&rst
ixpk= 20, nxpk= 10, iat= 48, 712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 45 LYS HA 45 LYS HN 4.50 (# 21:10 Unique 2.95, 2.98 A)
&rst
ixpk= 21, nxpk= 10, iat= 714, 712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 VAL HN 45 LYS HN 4.50 (# 22:10 Unique 3.87, 4.28 A)
&rst
ixpk= 22, nxpk= 10, iat= 696, 712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 VAL HA 45 LYS HN 2.80 (# 23:10 Unique 2.11, 2.16 A)
&rst
ixpk= 23, nxpk= 10, iat= 698, 712, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &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= 4.95, r4= 5.70,
igr1= 702, 703, 704, 706, 707, 708, 719, 720,
&end
#
# 0 AMB 10-2:25 45 LYS HN 3.50 (# 25:10 Single Ambig)
&rst
ixpk= 25, nxpk= 10, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 716, 717, 719, 720,
&end
#
# 6 ASP HB+ 6 ASP HN 4.50 (# 26:10 Unique 2.18, 2.67 A)
&rst
ixpk= 26, nxpk= 10, iat= -1, 89, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 93, 94,
&end
#
# 6 ASP HB- 6 ASP HN 4.50 (# 28:10 Unique 2.18, 2.67 A)
&rst
ixpk= 28, 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 4.50 (# 29:10 Unique 2.60, 3.54 A)
&rst
ixpk= 29, nxpk= 10, iat= -1, 89, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 76, 77, 78,
&end
#
# 70 GLU HB- 70 GLU HN 4.50 (# 30:10 Unique 2.62, 3.07 A)
&rst
ixpk= 30, nxpk= 10, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1096,1097,
&end
#
# 69 VAL HA 70 GLU HN 2.80 (# 31:10 Unique 2.20, 2.27 A)
&rst
ixpk= 31, 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 (# 32:10 Unique 2.74, 2.94 A)
&rst
ixpk= 32, 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 (# 33:10 Unique 2.94, 2.96 A)
&rst
ixpk= 33, nxpk= 10, iat=1094,1092, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:34 70 GLU HN 4.50 (# 34:10 Single Ambig)
&rst
ixpk= 34, nxpk= 10, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1096,1097,1080,
&end
#
# 0 AMB 10-2:35 70 GLU HN 3.50 (# 35:10 Single Ambig)
&rst
ixpk= 35, 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
#
# 68 HIS HA 68 HIS HN 4.50 (# 36:10 Unique 2.21, 2.90 A)
&rst
ixpk= 36, nxpk= 10, iat=1061,1059, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 HIS HB- 68 HIS HN 4.50 (# 37:10 Unique 2.62, 3.26 A)
&rst
ixpk= 37, nxpk= 10, iat= -1,1059, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1063,1064,
&end
#
# 0 AMB 10-2:38 68 HIS HN 4.50 (# 38:10 Single Ambig)
&rst
ixpk= 38, 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
#
# 67 THR HN 68 HIS HN 4.50 (# 39:10 Unique 2.00, 2.67 A)
&rst
ixpk= 39, nxpk= 10, iat=1045,1059, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 ALA HA 4 TRP HN 4.50 (# 41:10 Unique 3.64, 4.22 A)
&rst
ixpk= 41, nxpk= 10, iat= 332, 46, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 3 HIS HA 4 TRP HN 2.80 (# 42:10 Unique 2.12, 2.24 A)
&rst
ixpk= 42, nxpk= 10, iat= 31, 46, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 4 TRP HB- 4 TRP HN 3.50 (# 43:10 Unique 2.41, 3.13 A)
&rst
ixpk= 43, 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 4.50 (# 44:10 Unique 2.55, 3.64 A)
&rst
ixpk= 44, nxpk= 10, iat= -1, 46, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 33, 34,
&end
#
# 4 TRP HA 4 TRP HN 4.50 (# 45:10 Unique 2.91, 2.96 A)
&rst
ixpk= 45, nxpk= 10, iat= 48, 46, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 ASN HD2- 24 ILE HN 4.50 (# 46:10 Unique 3.32, 3.86 A)
&rst
ixpk= 46, nxpk= 10, iat= -1, 373, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 368, 369,
&end
#
# 24 ILE HB 24 ILE HN 4.50 (# 47:10 Unique 2.70, 2.88 A)
&rst
ixpk= 47, nxpk= 10, iat= 377, 373, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 ASN HD2- 24 ILE HN 4.50 (# 48:10 Unique 3.32, 3.86 A)
&rst
ixpk= 48, nxpk= 10, iat= -1, 373, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 368, 369,
&end
#
# 23 ASN HA 24 ILE HN 2.80 (# 49:10 Unique 2.10, 2.13 A)
&rst
ixpk= 49, nxpk= 10, iat= 361, 373, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:50 24 ILE HN 4.50 (# 50:10 Single Ambig)
&rst
ixpk= 50, nxpk= 10, iat= -1, 373, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 76, 77, 78, 386, 387, 388, 379, 380, 381,
&end
#
# 83 VAL HB 84 LYS HN 4.50 (# 51:10 Unique 2.58, 3.24 A)
&rst
ixpk= 51, nxpk= 10, iat=1284,1296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 83 VAL MGX 84 LYS HN 4.50 (# 52:10 Unique 2.35, 4.53 A)
&rst
ixpk= 52, 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 HA 84 LYS HN 2.80 (# 53:10 Unique 2.18, 2.32 A)
&rst
ixpk= 53, 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 (# 54:10 Unique 2.33, 3.07 A)
&rst
ixpk= 54, nxpk= 10, iat= -1,1296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1300,1301,
&end
#
# 0 AMB 10-2:55 84 LYS HN 3.50 (# 55:10 Single Ambig)
&rst
ixpk= 55, nxpk= 10, iat= -1,1296, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1306,1307,1306,1307,1300,1301,
&end
#
# 84 LYS HA 84 LYS HN 4.50 (# 56:10 Unique 2.83, 2.90 A)
&rst
ixpk= 56, nxpk= 10, iat=1298,1296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 84 LYS HA 84 LYS HN 4.50 (# 57:10 Unique 2.83, 2.90 A)
&rst
ixpk= 57, nxpk= 10, iat=1298,1296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 ASN HA 23 ASN HN 4.50 (# 58:10 Unique 2.91, 2.93 A)
&rst
ixpk= 58, nxpk= 10, iat= 361, 359, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 ILE QG2 23 ASN HN 4.50 (# 59:10 Unique 2.87, 4.54 A)
&rst
ixpk= 59, nxpk= 10, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 346, 347, 348,
&end
#
# 22 ILE HA 23 ASN HN 3.50 (# 60:10 Unique 2.16, 2.22 A)
&rst
ixpk= 60, nxpk= 10, iat= 342, 359, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 ASN HB+ 23 ASN HN 3.50 (# 61:10 Unique 2.37, 2.61 A)
&rst
ixpk= 61, 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 (# 62:10 Unique 3.08, 3.45 A)
&rst
ixpk= 62, nxpk= 10, iat= 344, 359, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 ASN HB- 23 ASN HN 3.50 (# 63:10 Unique 2.37, 2.61 A)
&rst
ixpk= 63, nxpk= 10, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 363, 364,
&end
#
# 37 VAL HN 36 ALA HN 3.50 (# 64:10 Unique 1.85, 2.46 A)
&rst
ixpk= 64, nxpk= 10, iat= 592, 582, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 ALA HA 36 ALA HN 4.50 (# 65:10 Unique 2.87, 2.91 A)
&rst
ixpk= 65, nxpk= 10, iat= 584, 582, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:66 36 ALA HN 4.50 (# 66:10 Single Ambig)
&rst
ixpk= 66, nxpk= 10, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 570, 594,
&end
#
# 36 ALA MB 36 ALA HN 2.80 (# 67:10 Unique 2.44, 2.95 A)
&rst
ixpk= 67, nxpk= 10, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 586, 587, 588,
&end
#
# 35 THR HN 36 ALA HN 3.50 (# 68:10 Unique 1.97, 2.35 A)
&rst
ixpk= 68, nxpk= 10, iat= 568, 582, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 THR HB 36 ALA HN 4.50 (# 69:10 Unique 2.84, 3.69 A)
&rst
ixpk= 69, nxpk= 10, iat= 572, 582, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:70 5 ILE HN 3.50 (# 70:10 Single Ambig)
&rst
ixpk= 70, nxpk= 10, iat= -1, 70, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 74, 334, 335, 336,
&end
#
# 54 SER HN 53 GLN HN 4.50 (# 71:10 Unique 2.46, 2.69 A)
&rst
ixpk= 71, nxpk= 10, iat= 854, 837, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 ASN HN 40 LYS HN 4.50 (# 72:10 Unique 2.12, 2.91 A)
&rst
ixpk= 72, 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 (# 73:10 Unique 2.15, 2.25 A)
&rst
ixpk= 73, 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 (# 74:10 Unique 2.77, 2.82 A)
&rst
ixpk= 74, 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 (# 75:10 Unique 2.33, 3.06 A)
&rst
ixpk= 75, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 638, 639,
&end
#
# 40 LYS HB- 40 LYS HN 3.50 (# 76:10 Unique 2.33, 3.06 A)
&rst
ixpk= 76, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 638, 639,
&end
#
# 0 AMB 10-2:77 40 LYS HN 3.50 (# 77:10 Single Ambig)
&rst
ixpk= 77, 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 (# 78:10 Unique 2.06, 2.84 A)
&rst
ixpk= 78, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 641, 642,
&end
#
# 0 AMB 10-2:80 5 ILE HN 4.50 (# 80:10 Single Ambig)
&rst
ixpk= 80, nxpk= 10, iat= -1, 70, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 80, 81, 80, 81,
&end
#
# 46 VAL HA 5 ILE HN 4.50 (# 81:10 Unique 2.73, 2.97 A)
&rst
ixpk= 81, 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 (# 82:10 Unique 2.18, 2.25 A)
&rst
ixpk= 82, nxpk= 10, iat= 48, 70, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 56 GLN HG+ 53 GLN HN 4.50 (# 84:10 Unique 4.56, 5.40 A)
&rst
ixpk= 84, nxpk= 10, iat= -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 879, 880,
&end
#
# 0 AMB 10-2:85 0 AMB 10-1:85 3.50 (# 85:10 Double Ambig)
&rst
ixpk= 85, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 974, 425,
igr2= 985, 406,
&end
#
# 64 MET HN 63 GLU HN 3.50 (# 86:10 Unique 2.62, 2.66 A)
&rst
ixpk= 86, nxpk= 10, iat=1000, 985, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 TYR HN 63 GLU HN 5.50 (# 87:10 Unique 4.87, 5.25 A)
&rst
ixpk= 87, nxpk= 10, iat=1024, 985, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:88 63 GLU HN 3.50 (# 88:10 Single Ambig)
&rst
ixpk= 88, nxpk= 10, iat= -1, 985, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 987, 923,
&end
#
# 63 GLU HG+ 63 GLU HN 4.50 (# 89:10 Unique 2.46, 4.05 A)
&rst
ixpk= 89, nxpk= 10, iat= -1, 985, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 992, 993,
&end
#
# 0 AMB 10-2:90 0 AMB 10-1:90 4.50 (# 90:10 Double Ambig)
&rst
ixpk= 90, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 992, 993, 105,
igr2= 985, 406,
&end
#
# 0 AMB 10-2:91 63 GLU HN 2.80 (# 91:10 Single Ambig)
&rst
ixpk= 91, nxpk= 10, iat= -1, 985, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 989, 990, 989, 990,
&end
#
# 76 LYS HN 75 LEU HN 4.50 (# 92:10 Unique 1.96, 2.85 A)
&rst
ixpk= 92, 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 (# 93:10 Unique 2.75, 3.40 A)
&rst
ixpk= 93, 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 (# 94:10 Unique 2.17, 2.63 A)
&rst
ixpk= 94, 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 (# 95:10 Unique 2.22, 2.77 A)
&rst
ixpk= 95, 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 (# 96:10 Unique 2.17, 2.63 A)
&rst
ixpk= 96, 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 (# 97:10 Unique 2.26, 2.52 A)
&rst
ixpk= 97, 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 3.50 (# 98:10 Unique 2.26, 2.52 A)
&rst
ixpk= 98, nxpk= 10, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1149,1150,
&end
#
# 0 AMB 10-2:99 0 AMB 10-1:99 4.50 (# 99:10 Double Ambig)
&rst
ixpk= 99, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
igr1= 415, 416, 417, 419, 420, 421, 468, 469, 470, 472,
473, 474, 942, 943, 944,1082,1083,1084,1086,1087,
1088,1082,1083,1084,1086,1087,1088,
igr2= 406, 985,
&end
#
# 7 VAL HA 26 LEU HN 4.50 (# 100:10 Unique 3.43, 3.58 A)
&rst
ixpk= 100, nxpk= 10, iat= 103, 406, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 LEU HA 26 LEU HN 3.50 (# 101:10 Unique 2.62, 2.69 A)
&rst
ixpk= 101, nxpk= 10, iat= 408, 406, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 25 PRO HA 26 LEU HN 2.80 (# 102:10 Unique 2.16, 2.23 A)
&rst
ixpk= 102, nxpk= 10, iat= 402, 406, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:103 0 AMB 10-1:103 3.50 (# 103:10 Double Ambig)
&rst
ixpk= 103, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 989, 990, 989, 990, 105,
igr2= 985, 406,
&end
#
# 26 LEU HB+ 26 LEU HN 3.50 (# 104:10 Unique 2.25, 2.43 A)
&rst
ixpk= 104, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 410, 411,
&end
#
# 26 LEU HB- 26 LEU HN 3.50 (# 105:10 Unique 2.25, 2.43 A)
&rst
ixpk= 105, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 410, 411,
&end
#
# 35 THR HN 34 ALA HN 3.50 (# 106:10 Unique 2.71, 2.80 A)
&rst
ixpk= 106, nxpk= 10, iat= 568, 558, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 ILE QG2 34 ALA HN 3.50 (# 107:10 Unique 2.21, 3.16 A)
&rst
ixpk= 107, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 545, 546, 547,
&end
#
# 33 ILE HN 34 ALA HN 4.50 (# 108:10 Unique 2.75, 2.83 A)
&rst
ixpk= 108, nxpk= 10, iat= 539, 558, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 ALA HA 34 ALA HN 3.50 (# 109:10 Unique 2.79, 2.83 A)
&rst
ixpk= 109, nxpk= 10, iat= 560, 558, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:110 34 ALA HN 4.50 (# 110:10 Single Ambig)
&rst
ixpk= 110, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 541, 480,
&end
#
# 34 ALA MB 34 ALA HN 2.80 (# 111:10 Unique 2.44, 2.87 A)
&rst
ixpk= 111, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 562, 563, 564,
&end
#
# 78 ILE HG1+ 78 ILE HN 4.50 (# 112:10 Unique 1.78, 3.27 A)
&rst
ixpk= 112, nxpk= 10, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1208,1209,
&end
#
# 77 ASP HN 78 ILE HN 3.50 (# 113:10 Unique 2.13, 2.53 A)
&rst
ixpk= 113, 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 (# 114:10 Unique 2.72, 2.81 A)
&rst
ixpk= 114, 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 (# 115:10 Unique 1.78, 3.27 A)
&rst
ixpk= 115, 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 3.50 (# 116:10 Unique 2.17, 2.57 A)
&rst
ixpk= 116, nxpk= 10, iat=1202,1198, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 7 VAL HN 8 ARG HN 4.50 (# 117:10 Unique 2.40, 2.72 A)
&rst
ixpk= 117, nxpk= 10, iat= 101, 117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 8 ARG HB+ 8 ARG HN 4.50 (# 118:10 Unique 2.44, 2.86 A)
&rst
ixpk= 118, nxpk= 10, iat= -1, 117, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 121, 122,
&end
#
# 0 AMB 10-2:119 8 ARG HN 4.50 (# 119:10 Single Ambig)
&rst
ixpk= 119, nxpk= 10, iat= -1, 117, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 124, 125, 124, 125,
&end
#
# 20 GLY HN 21 ALA HN 4.50 (# 120:10 Unique 1.95, 2.52 A)
&rst
ixpk= 120, nxpk= 10, iat= 323, 330, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 19 GLN HE2+ 21 ALA HN 4.50 (# 121:10 Unique 4.08, 5.28 A)
&rst
ixpk= 121, nxpk= 10, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 318, 319,
&end
#
# 21 ALA HA 21 ALA HN 4.50 (# 122:10 Unique 2.85, 2.93 A)
&rst
ixpk= 122, nxpk= 10, iat= 332, 330, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 PRO HB+ 82 LYS HN 4.50 (# 123:10 Unique 2.83, 3.32 A)
&rst
ixpk= 123, nxpk= 10, iat= -1,1258, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1251,1252,
&end
#
# 82 LYS HB+ 82 LYS HN 4.50 (# 124:10 Unique 2.50, 3.20 A)
&rst
ixpk= 124, nxpk= 10, iat= -1,1258, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1262,1263,
&end
#
# 81 PRO HA 82 LYS HN 2.80 (# 125:10 Unique 2.26, 2.37 A)
&rst
ixpk= 125, nxpk= 10, iat=1254,1258, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:126 82 LYS HN 3.50 (# 126:10 Single Ambig)
&rst
ixpk= 126, nxpk= 10, iat= -1,1258, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1262,1263,1268,1269,
&end
#
# 82 LYS HA 82 LYS HN 4.50 (# 127:10 Unique 2.94, 2.96 A)
&rst
ixpk= 127, nxpk= 10, iat=1260,1258, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 8 ARG HA 8 ARG HN 4.50 (# 128:10 Unique 2.92, 2.98 A)
&rst
ixpk= 128, nxpk= 10, iat= 119, 117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 8 ARG HB- 8 ARG HN 4.50 (# 129:10 Unique 2.44, 2.86 A)
&rst
ixpk= 129, nxpk= 10, iat= -1, 117, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 121, 122,
&end
#
# 20 GLY HA- 21 ALA HN 5.50 (# 130:10 Unique 2.72, 3.32 A)
&rst
ixpk= 130, nxpk= 10, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 325, 326,
&end
#
# 21 ALA MB 21 ALA HN 2.80 (# 131:10 Unique 2.46, 2.97 A)
&rst
ixpk= 131, nxpk= 10, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 334, 335, 336,
&end
#
# 57 ALA HN 56 GLN HN 3.50 (# 132:10 Unique 2.68, 2.83 A)
&rst
ixpk= 132, nxpk= 10, iat= 889, 872, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 55 GLY HN 56 GLN HN 4.50 (# 133:10 Unique 2.46, 2.74 A)
&rst
ixpk= 133, nxpk= 10, iat= 865, 872, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 GLN HA 56 GLN HN 4.50 (# 134:10 Unique 2.54, 3.14 A)
&rst
ixpk= 134, nxpk= 10, iat= 839, 872, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 56 GLN HA 56 GLN HN 3.50 (# 135:10 Unique 2.82, 2.84 A)
&rst
ixpk= 135, nxpk= 10, iat= 874, 872, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 55 GLY HA+ 56 GLN HN 4.50 (# 136:10 Unique 2.75, 3.24 A)
&rst
ixpk= 136, nxpk= 10, iat= -1, 872, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 867, 868,
&end
#
# 56 GLN HG+ 56 GLN HN 3.50 (# 137:10 Unique 2.13, 2.80 A)
&rst
ixpk= 137, nxpk= 10, iat= -1, 872, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 879, 880,
&end
#
# 0 AMB 10-2:138 56 GLN HN 2.80 (# 138:10 Single Ambig)
&rst
ixpk= 138, nxpk= 10, iat= -1, 872, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 879, 880, 876, 877,
&end
#
# 56 GLN HB- 56 GLN HN 4.50 (# 139:10 Unique 2.47, 3.09 A)
&rst
ixpk= 139, nxpk= 10, iat= -1, 872, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 876, 877,
&end
#
# 22 ILE HG1+ 22 ILE HN 4.50 (# 140:10 Unique 1.90, 2.70 A)
&rst
ixpk= 140, nxpk= 10, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 350, 351,
&end
#
# 21 ALA HA 22 ILE HN 2.80 (# 141:10 Unique 2.09, 2.26 A)
&rst
ixpk= 141, nxpk= 10, iat= 332, 340, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 22 ILE HA 22 ILE HN 4.50 (# 142:10 Unique 2.79, 2.95 A)
&rst
ixpk= 142, nxpk= 10, iat= 342, 340, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:143 22 ILE HN 3.50 (# 143:10 Single Ambig)
&rst
ixpk= 143, nxpk= 10, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 334, 335, 336, 344,
&end
#
# 56 GLN HN 57 ALA HN 3.50 (# 144:10 Unique 2.68, 2.83 A)
&rst
ixpk= 144, nxpk= 10, iat= 872, 889, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 56 GLN HB- 57 ALA HN 4.50 (# 145:10 Unique 2.36, 3.01 A)
&rst
ixpk= 145, 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 (# 146:10 Unique 2.49, 2.92 A)
&rst
ixpk= 146, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 893, 894, 895,
&end
#
# 37 VAL MGY 42 ASP HN 4.50 (# 147:10 Unique 3.85, 6.04 A)
&rst
ixpk= 147, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 598, 599, 600, 602, 603, 604,
&end
#
# 41 ASN HN 42 ASP HN 3.50 (# 148:10 Unique 1.96, 2.43 A)
&rst
ixpk= 148, nxpk= 10, iat= 656, 670, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 41 ASN HA 42 ASP HN 4.50 (# 149:10 Unique 3.37, 3.48 A)
&rst
ixpk= 149, nxpk= 10, iat= 658, 670, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 ASP HA 42 ASP HN 4.50 (# 150:10 Unique 2.80, 2.89 A)
&rst
ixpk= 150, nxpk= 10, iat= 672, 670, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 ASP HB+ 42 ASP HN 2.80 (# 151:10 Unique 2.32, 2.54 A)
&rst
ixpk= 151, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 674, 675,
&end
#
# 42 ASP HB- 42 ASP HN 3.50 (# 152:10 Unique 2.32, 2.54 A)
&rst
ixpk= 152, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 674, 675,
&end
#
# 57 ALA HA 57 ALA HN 3.50 (# 153:10 Unique 2.81, 2.84 A)
&rst
ixpk= 153, nxpk= 10, iat= 891, 889, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 54 SER HA 57 ALA HN 4.50 (# 154:10 Unique 2.87, 3.37 A)
&rst
ixpk= 154, nxpk= 10, iat= 856, 889, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 56 GLN HB+ 57 ALA HN 3.50 (# 155:10 Unique 2.36, 3.01 A)
&rst
ixpk= 155, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 876, 877,
&end
#
# 0 AMB 10-2:156 57 ALA HN 4.50 (# 156:10 Single Ambig)
&rst
ixpk= 156, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 415, 416, 417, 419, 420, 421, 949, 950, 951,
&end
#
# 32 ARG HN 33 ILE HN 3.50 (# 157:10 Unique 1.95, 2.54 A)
&rst
ixpk= 157, nxpk= 10, iat= 515, 539, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 HIS HA 69 VAL HN 2.80 (# 158:10 Unique 2.15, 2.52 A)
&rst
ixpk= 158, 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 (# 159:10 Unique 2.58, 2.88 A)
&rst
ixpk= 159, nxpk= 10, iat=1080,1076, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:160 69 VAL HN 3.50 (# 160:10 Single Ambig)
&rst
ixpk= 160, 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
#
# 0 AMB 10-2:161 33 ILE HN 3.50 (# 161:10 Single Ambig)
&rst
ixpk= 161, nxpk= 10, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 541, 480,
&end
#
# 29 VAL HA 33 ILE HN 4.50 (# 162:10 Unique 2.93, 3.28 A)
&rst
ixpk= 162, nxpk= 10, iat= 464, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 ILE HB 33 ILE HN 2.80 (# 163:10 Unique 2.33, 2.42 A)
&rst
ixpk= 163, nxpk= 10, iat= 543, 539, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 33 ILE QG2 33 ILE HN 2.80 (# 164:10 Unique 1.97, 2.99 A)
&rst
ixpk= 164, nxpk= 10, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 545, 546, 547,
&end
#
# 32 ARG HB- 33 ILE HN 5.50 (# 165:10 Unique 2.63, 3.32 A)
&rst
ixpk= 165, nxpk= 10, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 519, 520,
&end
#
# 0 AMB 10-2:167 33 ILE HN 4.50 (# 167:10 Single Ambig)
&rst
ixpk= 167, 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
#
# 2 GLU HA 3 HIS HN 2.80 (# 168:10 Unique 2.24, 2.37 A)
&rst
ixpk= 168, nxpk= 10, iat= 16, 29, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 3 HIS HA 3 HIS HN 4.50 (# 170:10 Unique 2.91, 2.96 A)
&rst
ixpk= 170, nxpk= 10, iat= 31, 29, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 VAL HA 3 HIS HN 4.50 (# 171:10 Unique 2.55, 2.98 A)
&rst
ixpk= 171, 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 (# 172:10 Unique 2.28, 3.17 A)
&rst
ixpk= 172, nxpk= 10, iat= -1, 29, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 33, 34,
&end
#
# 0 AMB 10-2:173 3 HIS HN 4.50 (# 173:10 Single Ambig)
&rst
ixpk= 173, nxpk= 10, iat= -1, 29, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 18, 19, 18, 19,
&end
#
# 17 HIS HA 18 VAL HN 3.50 (# 174:10 Unique 2.14, 2.29 A)
&rst
ixpk= 174, nxpk= 10, iat= 275, 290, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 HIS HB+ 18 VAL HN 4.50 (# 175:10 Unique 2.51, 3.44 A)
&rst
ixpk= 175, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 277, 278,
&end
#
# 17 HIS HB- 18 VAL HN 3.50 (# 176:10 Unique 2.51, 3.44 A)
&rst
ixpk= 176, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 277, 278,
&end
#
# 0 AMB 10-2:177 18 VAL HN 4.50 (# 177:10 Single Ambig)
&rst
ixpk= 177, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 334, 335, 336, 265, 266,
&end
#
# 18 VAL HB 18 VAL HN 3.50 (# 178:10 Unique 2.01, 2.15 A)
&rst
ixpk= 178, nxpk= 10, iat= 294, 290, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:179 18 VAL HN 3.50 (# 179:10 Single Ambig)
&rst
ixpk= 179, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
&end
#
# 28 GLU HN 29 VAL HN 2.80 (# 180:10 Unique 1.91, 2.02 A)
&rst
ixpk= 180, nxpk= 10, iat= 447, 462, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 29 VAL HA 29 VAL HN 3.50 (# 181:10 Unique 2.64, 2.72 A)
&rst
ixpk= 181, 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 (# 182:10 Unique 2.07, 2.19 A)
&rst
ixpk= 182, nxpk= 10, iat= 466, 462, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 29 VAL MGY 29 VAL HN 3.50 (# 183:10 Unique 2.31, 3.90 A)
&rst
ixpk= 183, nxpk= 10, iat= -1, 462, 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 HN 4.50 (# 184:10 Unique 2.31, 3.90 A)
&rst
ixpk= 184, 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 (# 185:10 Unique 2.91, 4.42 A)
&rst
ixpk= 185, 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 (# 186:10 Unique 2.96, 2.98 A)
&rst
ixpk= 186, nxpk= 10, iat=1109,1107, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 70 GLU HA 71 ASN HN 2.80 (# 187:10 Unique 2.17, 2.25 A)
&rst
ixpk= 187, 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 (# 188:10 Unique 2.36, 2.73 A)
&rst
ixpk= 188, 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 (# 189:10 Unique 2.36, 2.73 A)
&rst
ixpk= 189, nxpk= 10, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1111,1112,
&end
#
# 28 GLU HA 29 VAL HN 4.50 (# 190:10 Unique 3.30, 3.44 A)
&rst
ixpk= 190, nxpk= 10, iat= 449, 462, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 LEU HA 29 VAL HN 5.50 (# 191:10 Unique 3.37, 3.46 A)
&rst
ixpk= 191, nxpk= 10, iat= 408, 462, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 GLN HN 13 TYR HN 4.50 (# 192:10 Unique 2.60, 2.72 A)
&rst
ixpk= 192, nxpk= 10, iat= 224, 203, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 12 GLN HN 13 TYR HN 3.50 (# 193:10 Unique 2.43, 2.55 A)
&rst
ixpk= 193, nxpk= 10, iat= 186, 203, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 13 TYR HA 13 TYR HN 4.50 (# 194:10 Unique 2.77, 2.81 A)
&rst
ixpk= 194, 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 (# 195:10 Unique 2.08, 2.47 A)
&rst
ixpk= 195, 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 4.50 (# 196:10 Unique 2.08, 2.47 A)
&rst
ixpk= 196, nxpk= 10, iat= -1, 203, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 207, 208,
&end
#
# 0 AMB 10-2:197 13 TYR HN 4.50 (# 197:10 Single Ambig)
&rst
ixpk= 197, nxpk= 10, iat= -1, 203, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 228, 229, 228, 229, 161, 162,
&end
#
# 65 GLY HN 66 TYR HN 3.50 (# 198:10 Unique 1.94, 2.44 A)
&rst
ixpk= 198, nxpk= 10, iat=1017,1024, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:200 66 TYR HN 3.50 (# 200:10 Single Ambig)
&rst
ixpk= 200, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 976,1026,
&end
#
# 66 TYR HB+ 66 TYR HN 4.50 (# 201:10 Unique 2.25, 2.96 A)
&rst
ixpk= 201, 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 3.50 (# 202:10 Unique 2.25, 2.96 A)
&rst
ixpk= 202, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1028,1029,
&end
#
# 61 LEU HN 60 ILE HN 3.50 (# 203:10 Unique 2.72, 2.80 A)
&rst
ixpk= 203, nxpk= 10, iat= 955, 936, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 GLU HN 60 ILE HN 4.50 (# 204:10 Unique 2.59, 2.64 A)
&rst
ixpk= 204, nxpk= 10, iat= 921, 936, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 ALA HA 60 ILE HN 4.50 (# 205:10 Unique 3.22, 3.36 A)
&rst
ixpk= 205, nxpk= 10, iat= 891, 936, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 ILE HA 60 ILE HN 4.50 (# 206:10 Unique 2.86, 2.88 A)
&rst
ixpk= 206, nxpk= 10, iat= 938, 936, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:207 60 ILE HN 3.50 (# 207:10 Single Ambig)
&rst
ixpk= 207, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 925, 926, 925, 926,
&end
#
# 0 AMB 10-2:208 60 ILE HN 2.80 (# 208:10 Single Ambig)
&rst
ixpk= 208, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 940, 946, 947,
&end
#
# 60 ILE HG1+ 60 ILE HN 4.50 (# 209:10 Unique 2.50, 3.21 A)
&rst
ixpk= 209, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 946, 947,
&end
#
# 0 AMB 10-2:210 60 ILE HN 3.50 (# 210:10 Single Ambig)
&rst
ixpk= 210, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 949, 950, 951, 942, 943, 944,1082,1083,1084,1086,
1087,1088,
&end
#
# 54 SER HA 54 SER HN 4.50 (# 211:10 Unique 2.80, 2.86 A)
&rst
ixpk= 211, nxpk= 10, iat= 856, 854, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 MET HA 80 MET HN 4.50 (# 212:10 Unique 2.91, 2.96 A)
&rst
ixpk= 212, nxpk= 10, iat=1229,1227, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 79 ALA HA 80 MET HN 2.80 (# 213:10 Unique 2.52, 2.69 A)
&rst
ixpk= 213, nxpk= 10, iat=1219,1227, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 79 ALA MB 80 MET HN 4.50 (# 214:10 Unique 4.12, 4.52 A)
&rst
ixpk= 214, 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 3.50 (# 215:10 Unique 2.28, 3.25 A)
&rst
ixpk= 215, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1231,1232,
&end
#
# 78 ILE QG2 80 MET HN 3.50 (# 216:10 Unique 2.12, 3.64 A)
&rst
ixpk= 216, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1204,1205,1206,
&end
#
# 82 LYS HE+ 80 MET HN 4.50 (# 217:10 Unique 3.48, 4.79 A)
&rst
ixpk= 217, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1271,1272,
&end
#
# 58 LYS HA 59 GLU HN 5.50 (# 218:10 Unique 3.60, 3.61 A)
&rst
ixpk= 218, nxpk= 10, iat= 901, 921, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:219 59 GLU HN 4.50 (# 219:10 Single Ambig)
&rst
ixpk= 219, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 899, 955,
&end
#
# 60 ILE HN 59 GLU HN 4.50 (# 220:10 Unique 2.59, 2.64 A)
&rst
ixpk= 220, nxpk= 10, iat= 936, 921, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 56 GLN HA 59 GLU HN 4.50 (# 221:10 Unique 3.54, 3.62 A)
&rst
ixpk= 221, nxpk= 10, iat= 874, 921, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 GLU HA 59 GLU HN 3.50 (# 222:10 Unique 2.86, 2.87 A)
&rst
ixpk= 222, nxpk= 10, iat= 923, 921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 GLU HG+ 59 GLU HN 4.50 (# 223:10 Unique 2.15, 3.06 A)
&rst
ixpk= 223, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 928, 929,
&end
#
# 59 GLU HG- 59 GLU HN 4.50 (# 224:10 Unique 2.15, 3.06 A)
&rst
ixpk= 224, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 928, 929,
&end
#
# 0 AMB 10-2:225 59 GLU HN 2.80 (# 225:10 Single Ambig)
&rst
ixpk= 225, 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
#
# 83 VAL HA 83 VAL HN 4.50 (# 230:10 Unique 2.87, 2.94 A)
&rst
ixpk= 230, nxpk= 10, iat=1282,1280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 HIS HN 83 VAL HN 4.50 (# 232:10 Unique 2.39, 2.89 A)
&rst
ixpk= 232, nxpk= 10, iat= 273,1280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:233 83 VAL HN 4.50 (# 233:10 Single Ambig)
&rst
ixpk= 233, nxpk= 10, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1262,1263, 310, 311,
&end
#
# 83 VAL MGX 83 VAL HN 4.50 (# 234:10 Unique 1.88, 3.43 A)
&rst
ixpk= 234, 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 10-2:235 0 AMB 10-1:235 4.50 (# 235:10 Double Ambig)
&rst
ixpk= 235, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 91, 938,
igr2= 750, 955,
&end
#
# 46 VAL HA 47 TYR HN 2.80 (# 236:10 Unique 2.15, 2.26 A)
&rst
ixpk= 236, nxpk= 10, iat= 736, 750, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:237 0 AMB 10-1:237 4.50 (# 237:10 Double Ambig)
&rst
ixpk= 237, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 740, 741, 742, 744, 745, 746, 468, 469, 470, 472,
473, 474,
igr2= 750, 955,
&end
#
# 13 TYR HN 14 GLN HN 4.50 (# 238:10 Unique 2.60, 2.72 A)
&rst
ixpk= 238, nxpk= 10, iat= 203, 224, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 GLN HN 14 GLN HN 4.50 (# 239:10 Unique 2.16, 2.76 A)
&rst
ixpk= 239, nxpk= 10, iat= 241, 224, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 14 GLN HE2- 14 GLN HN 4.50 (# 240:10 Unique 2.54, 4.02 A)
&rst
ixpk= 240, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 236, 237,
&end
#
# 11 GLU HA 14 GLN HN 5.50 (# 241:10 Unique 3.13, 3.52 A)
&rst
ixpk= 241, nxpk= 10, iat= 173, 224, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 GLN HA 14 GLN HN 4.50 (# 242:10 Unique 2.75, 2.86 A)
&rst
ixpk= 242, nxpk= 10, iat= 226, 224, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 TYR HB+ 14 GLN HN 4.50 (# 243:10 Unique 2.60, 3.44 A)
&rst
ixpk= 243, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 207, 208,
&end
#
# 0 AMB 10-2:244 14 GLN HN 4.50 (# 244:10 Single Ambig)
&rst
ixpk= 244, 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 10-2:245 14 GLN HN 4.50 (# 245:10 Single Ambig)
&rst
ixpk= 245, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 231, 232, 231, 232,
&end
#
# 0 AMB 10-2:246 14 GLN HN 2.80 (# 246:10 Single Ambig)
&rst
ixpk= 246, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 228, 229, 228, 229,
&end
#
# 62 SER HN 61 LEU HN 4.50 (# 247:10 Unique 2.64, 2.69 A)
&rst
ixpk= 247, nxpk= 10, iat= 974, 955, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 ILE HN 61 LEU HN 4.50 (# 248:10 Unique 2.72, 2.80 A)
&rst
ixpk= 248, nxpk= 10, iat= 936, 955, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 LEU HA 61 LEU HN 4.50 (# 249:10 Unique 2.83, 2.86 A)
&rst
ixpk= 249, nxpk= 10, iat= 957, 955, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:250 61 LEU HN 4.50 (# 250:10 Single Ambig)
&rst
ixpk= 250, nxpk= 10, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 901, 891,
&end
#
# 0 AMB 10-2:251 0 AMB 10-1:251 2.80 (# 251:10 Double Ambig)
&rst
ixpk= 251, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 959, 960, 940, 738,
igr2= 955, 750,
&end
#
# 61 LEU HG 61 LEU HN 3.50 (# 252:10 Unique 2.28, 2.42 A)
&rst
ixpk= 252, 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 (# 253:10 Unique 2.30, 3.02 A)
&rst
ixpk= 253, nxpk= 10, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 959, 960,
&end
#
# 61 LEU MDY 61 LEU HN 4.50 (# 254:10 Unique 2.76, 4.37 A)
&rst
ixpk= 254, nxpk= 10, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 10-2:255 0 AMB 10-1:255 3.50 (# 255:10 Double Ambig)
&rst
ixpk= 255, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.53, r4= 7.28,
igr1= 942, 943, 944, 740, 741, 742, 744, 745, 746,1082,
1083,1084,1086,1087,1088,1082,1083,1084,1086,1087,
1088,
igr2= 955, 750,
&end
#
# 0 AMB 10-2:258 39 ASP HN 3.50 (# 258:10 Single Ambig)
&rst
ixpk= 258, nxpk= 10, iat= -1, 622, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 612, 613, 612, 613, 615, 616,
&end
#
# 39 ASP HA 39 ASP HN 4.50 (# 259:10 Unique 2.90, 2.94 A)
&rst
ixpk= 259, nxpk= 10, iat= 624, 622, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 PRO HD+ 39 ASP HN 4.50 (# 260:10 Unique 2.51, 3.41 A)
&rst
ixpk= 260, 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 (# 261:10 Unique 2.37, 2.75 A)
&rst
ixpk= 261, nxpk= 10, iat= -1, 622, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 626, 627,
&end
#
# 0 AMB 10-2:262 39 ASP HN 3.50 (# 262:10 Single Ambig)
&rst
ixpk= 262, nxpk= 10, iat= -1, 622, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 626, 627, 615, 616,
&end
#
# 37 VAL MGY 39 ASP HN 4.50 (# 263:10 Unique 2.54, 5.27 A)
&rst
ixpk= 263, 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
#
# 31 GLU HN 30 LYS HN 3.50 (# 264:10 Unique 2.56, 2.73 A)
&rst
ixpk= 264, nxpk= 10, iat= 500, 478, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 VAL HN 30 LYS HN 4.50 (# 265:10 Unique 2.76, 2.99 A)
&rst
ixpk= 265, nxpk= 10, iat= 462, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 LYS HA 30 LYS HN 3.50 (# 266:10 Unique 2.78, 2.87 A)
&rst
ixpk= 266, nxpk= 10, iat= 480, 478, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:267 30 LYS HN 3.50 (# 267:10 Single Ambig)
&rst
ixpk= 267, nxpk= 10, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 466, 504, 505, 504, 505,
&end
#
# 30 LYS HB+ 30 LYS HN 2.80 (# 268:10 Unique 2.21, 2.87 A)
&rst
ixpk= 268, nxpk= 10, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 482, 483,
&end
#
# 0 AMB 10-2:269 30 LYS HN 2.80 (# 269:10 Single Ambig)
&rst
ixpk= 269, nxpk= 10, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 482, 483, 488, 489, 488, 489,
&end
#
# 30 LYS HG+ 30 LYS HN 4.50 (# 270:10 Unique 2.05, 3.52 A)
&rst
ixpk= 270, nxpk= 10, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 485, 486,
&end
#
# 0 AMB 10-2:271 30 LYS HN 4.50 (# 271:10 Single Ambig)
&rst
ixpk= 271, nxpk= 10, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 468, 469, 470, 472, 473, 474, 942, 943, 944,
&end
#
# 29 VAL MGX 30 LYS HN 4.50 (# 272:10 Unique 2.30, 4.24 A)
&rst
ixpk= 272, 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
#
# 46 VAL MGX 58 LYS HN 4.50 (# 273:10 Unique 2.72, 4.69 A)
&rst
ixpk= 273, nxpk= 10, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 740, 741, 742, 744, 745, 746,
&end
#
# 59 GLU HN 58 LYS HN 4.50 (# 274:10 Unique 2.66, 2.72 A)
&rst
ixpk= 274, nxpk= 10, iat= 921, 899, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 58 LYS HA 58 LYS HN 3.50 (# 275:10 Unique 2.84, 2.89 A)
&rst
ixpk= 275, nxpk= 10, iat= 901, 899, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:276 58 LYS HN 4.50 (# 276:10 Single Ambig)
&rst
ixpk= 276, nxpk= 10, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 867, 868, 856,
&end
#
# 58 LYS HB+ 58 LYS HN 3.50 (# 277:10 Unique 2.48, 2.60 A)
&rst
ixpk= 277, 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 (# 278:10 Unique 2.48, 2.60 A)
&rst
ixpk= 278, 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 (# 279:10 Unique 2.73, 3.54 A)
&rst
ixpk= 279, nxpk= 10, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 893, 894, 895,
&end
#
# 11 GLU HN 12 GLN HN 4.50 (# 280:10 Unique 2.80, 2.91 A)
&rst
ixpk= 280, nxpk= 10, iat= 171, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 12 GLN HG- 12 GLN HN 4.50 (# 281:10 Unique 2.11, 2.88 A)
&rst
ixpk= 281, nxpk= 10, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 193, 194,
&end
#
# 9 VAL MGX 12 GLN HN 3.50 (# 282:10 Unique 2.25, 5.14 A)
&rst
ixpk= 282, 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
#
# 12 GLN HA 12 GLN HN 4.50 (# 283:10 Unique 2.84, 2.90 A)
&rst
ixpk= 283, nxpk= 10, iat= 188, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:284 12 GLN HN 4.50 (# 284:10 Single Ambig)
&rst
ixpk= 284, nxpk= 10, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 228, 229, 228, 229, 161, 162,
&end
#
# 8 ARG HN 7 VAL HN 4.50 (# 285:10 Unique 2.40, 2.72 A)
&rst
ixpk= 285, nxpk= 10, iat= 117, 101, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 6 ASP HA 7 VAL HN 2.80 (# 286:10 Unique 2.16, 2.22 A)
&rst
ixpk= 286, nxpk= 10, iat= 91, 101, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 7 VAL MGY 7 VAL HN 4.50 (# 287:10 Unique 2.19, 3.45 A)
&rst
ixpk= 287, 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 (# 288:10 Unique 2.19, 3.45 A)
&rst
ixpk= 288, 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
#
# 13 TYR HN 12 GLN HN 3.50 (# 289:10 Unique 2.43, 2.55 A)
&rst
ixpk= 289, nxpk= 10, iat= 203, 186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 47 TYR HA 48 CYS HN 3.50 (# 290:10 Unique 2.22, 2.38 A)
&rst
ixpk= 290, nxpk= 10, iat= 752, 771, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 47 TYR HB+ 48 CYS HN 4.50 (# 292:10 Unique 2.54, 3.25 A)
&rst
ixpk= 292, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 754, 755,
&end
#
# 74 GLY HA- 48 CYS HN 4.50 (# 293:10 Unique 1.94, 3.85 A)
&rst
ixpk= 293, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1140,1141,
&end
#
# 47 TYR HB- 48 CYS HN 4.50 (# 294:10 Unique 2.54, 3.25 A)
&rst
ixpk= 294, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 754, 755,
&end
#
# 84 LYS HA 85 GLY HN 2.80 (# 295:10 Unique 2.21, 2.31 A)
&rst
ixpk= 295, nxpk= 10, iat=1298,1318, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 85 GLY HA+ 85 GLY HN 4.50 (# 296:10 Unique 2.28, 2.59 A)
&rst
ixpk= 296, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1320,1321,
&end
#
# 15 GLN HA 85 GLY HN 4.50 (# 297:10 Unique 2.67, 4.10 A)
&rst
ixpk= 297, 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 (# 298:10 Unique 2.28, 2.59 A)
&rst
ixpk= 298, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1320,1321,
&end
#
# 84 LYS HB+ 85 GLY HN 4.50 (# 299:10 Unique 2.28, 3.29 A)
&rst
ixpk= 299, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1300,1301,
&end
#
# 61 LEU HN 62 SER HN 3.50 (# 300:10 Unique 2.64, 2.69 A)
&rst
ixpk= 300, 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 (# 301:10 Unique 2.65, 2.75 A)
&rst
ixpk= 301, 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 (# 302:10 Unique 2.80, 2.85 A)
&rst
ixpk= 302, nxpk= 10, iat= 976, 974, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:303 62 SER HN 2.80 (# 303:10 Single Ambig)
&rst
ixpk= 303, 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 4.50 (# 304:10 Unique 2.71, 3.35 A)
&rst
ixpk= 304, nxpk= 10, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 959, 960,
&end
#
# 61 LEU HB- 62 SER HN 4.50 (# 305:10 Unique 2.71, 3.35 A)
&rst
ixpk= 305, nxpk= 10, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 959, 960,
&end
#
# 0 AMB 10-2:306 62 SER HN 4.50 (# 306:10 Single Ambig)
&rst
ixpk= 306, 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
#
# 14 GLN HN 15 GLN HN 4.50 (# 307:10 Unique 2.16, 2.76 A)
&rst
ixpk= 307, nxpk= 10, iat= 224, 241, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 GLU HN 15 GLN HN 3.50 (# 308:10 Unique 2.08, 2.49 A)
&rst
ixpk= 308, nxpk= 10, iat= 258, 241, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 15 GLN HA 15 GLN HN 3.50 (# 309:10 Unique 2.83, 2.92 A)
&rst
ixpk= 309, nxpk= 10, iat= 243, 241, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 14 GLN HA 15 GLN HN 5.50 (# 310:10 Unique 3.22, 3.53 A)
&rst
ixpk= 310, nxpk= 10, iat= 226, 241, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 GLN HG+ 15 GLN HN 4.50 (# 311:10 Unique 1.88, 2.75 A)
&rst
ixpk= 311, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 248, 249,
&end
#
# 0 AMB 10-2:312 15 GLN HN 2.80 (# 312:10 Single Ambig)
&rst
ixpk= 312, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 245, 246, 245, 246,
&end
#
# 0 AMB 10-2:313 15 GLN HN 3.50 (# 313:10 Single Ambig)
&rst
ixpk= 313, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 228, 229, 228, 229,
&end
#
# 27 LYS HN 28 GLU HN 3.50 (# 314:10 Unique 2.67, 2.77 A)
&rst
ixpk= 314, nxpk= 10, iat= 425, 447, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 GLU HA 28 GLU HN 4.50 (# 315:10 Unique 2.98, 2.99 A)
&rst
ixpk= 315, nxpk= 10, iat= 449, 447, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 VAL HN 28 GLU HN 2.80 (# 316:10 Unique 1.91, 2.02 A)
&rst
ixpk= 316, nxpk= 10, iat= 462, 447, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:317 28 GLU HN 4.50 (# 317:10 Single Ambig)
&rst
ixpk= 317, nxpk= 10, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 451, 452, 454, 455, 399, 400,
&end
#
# 28 GLU HG- 28 GLU HN 4.50 (# 318:10 Unique 2.59, 3.38 A)
&rst
ixpk= 318, nxpk= 10, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 454, 455,
&end
#
# 0 AMB 10-2:319 28 GLU HN 3.50 (# 319:10 Single Ambig)
&rst
ixpk= 319, nxpk= 10, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 451, 452, 429, 430,
&end
#
# 28 GLU HA 28 GLU HN 4.50 (# 320:10 Unique 2.98, 2.99 A)
&rst
ixpk= 320, nxpk= 10, iat= 449, 447, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 THR MG2 43 THR HN 4.50 (# 321:10 Unique 4.24, 4.49 A)
&rst
ixpk= 321, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 688, 689, 690,
&end
#
# 2 GLU HA 43 THR HN 4.50 (# 322:10 Unique 2.37, 3.10 A)
&rst
ixpk= 322, 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 (# 324:10 Unique 2.17, 2.32 A)
&rst
ixpk= 324, 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 (# 325:10 Unique 2.28, 2.58 A)
&rst
ixpk= 325, 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 (# 326:10 Unique 3.71, 3.93 A)
&rst
ixpk= 326, 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 (# 327:10 Unique 3.71, 3.93 A)
&rst
ixpk= 327, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 674, 675,
&end
#
# 0 AMB 10-2:328 77 ASP HN 4.50 (# 328:10 Single Ambig)
&rst
ixpk= 328, nxpk= 10, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1171,1172,1171,1172,
&end
#
# 0 AMB 10-2:329 77 ASP HN 4.50 (# 329:10 Single Ambig)
&rst
ixpk= 329, nxpk= 10, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1168,1169,1208,1209,
&end
#
# 76 LYS HN 77 ASP HN 4.50 (# 331:10 Unique 2.56, 2.74 A)
&rst
ixpk= 331, nxpk= 10, iat=1164,1186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 ILE HN 77 ASP HN 3.50 (# 332:10 Unique 2.13, 2.53 A)
&rst
ixpk= 332, nxpk= 10, iat=1198,1186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:333 0 AMB 10-1:333 3.50 (# 333:10 Double Ambig)
&rst
ixpk= 333, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1007,1008,1190,1191,
igr2=1000,1186,
&end
#
# 77 ASP HA 77 ASP HN 4.50 (# 334:10 Unique 2.80, 2.90 A)
&rst
ixpk= 334, nxpk= 10, iat=1188,1186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 LYS HN 41 ASN HN 3.50 (# 335:10 Unique 2.12, 2.91 A)
&rst
ixpk= 335, nxpk= 10, iat= 634, 656, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 42 ASP HN 41 ASN HN 2.80 (# 336:10 Unique 1.96, 2.43 A)
&rst
ixpk= 336, nxpk= 10, iat= 670, 656, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 41 ASN HA 41 ASN HN 4.50 (# 337:10 Unique 2.90, 2.93 A)
&rst
ixpk= 337, nxpk= 10, iat= 658, 656, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 ASN HB+ 41 ASN HN 4.50 (# 338:10 Unique 2.25, 2.68 A)
&rst
ixpk= 338, nxpk= 10, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 660, 661,
&end
#
# 0 AMB 10-2:339 41 ASN HN 3.50 (# 339:10 Single Ambig)
&rst
ixpk= 339, nxpk= 10, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 660, 661, 647, 648, 647, 648,
&end
#
# 46 VAL HA 46 VAL HN 4.50 (# 340:10 Unique 2.95, 2.97 A)
&rst
ixpk= 340, nxpk= 10, iat= 736, 734, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:341 46 VAL HN 2.80 (# 341:10 Single Ambig)
&rst
ixpk= 341, nxpk= 10, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 714,1109,
&end
#
# 46 VAL MGX 46 VAL HN 3.50 (# 342:10 Unique 1.97, 3.33 A)
&rst
ixpk= 342, nxpk= 10, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 10-2:343 0 AMB 10-1:343 4.50 (# 343:10 Double Ambig)
&rst
ixpk= 343, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1002,1140,1141,
igr2=1000,1186,
&end
#
# 61 LEU HA 64 MET HN 4.50 (# 344:10 Unique 2.95, 3.09 A)
&rst
ixpk= 344, nxpk= 10, iat= 957,1000, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:345 0 AMB 10-1:345 3.50 (# 345:10 Double Ambig)
&rst
ixpk= 345, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1007,1008,1190,1191,
igr2=1000,1186,
&end
#
# 0 AMB 10-2:346 64 MET HN 3.50 (# 346:10 Single Ambig)
&rst
ixpk= 346, 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 (# 347:10 Unique 2.23, 2.95 A)
&rst
ixpk= 347, nxpk= 10, iat= -1,1000, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1004,1005,
&end
#
# 0 AMB 10-2:348 64 MET HN 4.50 (# 348:10 Single Ambig)
&rst
ixpk= 348, nxpk= 10, iat= -1,1000, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 989, 990, 989, 990,
&end
#
# 63 GLU HN 64 MET HN 3.50 (# 349:10 Unique 2.62, 2.66 A)
&rst
ixpk= 349, nxpk= 10, iat= 985,1000, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 41 ASN HB+ 41 ASN HD2+ 4.50 (# 350:10 Unique 2.23, 3.39 A)
&rst
ixpk= 350, 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 (# 351:10 Unique 2.23, 3.39 A)
&rst
ixpk= 351, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 660, 661,
igr2= 665, 666,
&end
#
# 15 GLN HN 16 GLU HN 3.50 (# 352:10 Unique 2.08, 2.49 A)
&rst
ixpk= 352, nxpk= 10, iat= 241, 258, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 15 GLN HA 16 GLU HN 5.50 (# 353:10 Unique 3.59, 3.64 A)
&rst
ixpk= 353, nxpk= 10, iat= 243, 258, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:354 16 GLU HN 4.50 (# 354:10 Single Ambig)
&rst
ixpk= 354, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 265, 266, 262, 263,
&end
#
# 16 GLU HA 16 GLU HN 4.50 (# 355:10 Unique 2.62, 2.79 A)
&rst
ixpk= 355, nxpk= 10, iat= 260, 258, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:356 16 GLU HN 3.50 (# 356:10 Single Ambig)
&rst
ixpk= 356, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 245, 246, 245, 246,
&end
#
# 41 ASN HB- 41 ASN HD2- 4.50 (# 357:10 Unique 2.23, 3.39 A)
&rst
ixpk= 357, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 660, 661,
igr2= 665, 666,
&end
#
# 75 LEU HN 76 LYS HN 4.50 (# 358:10 Unique 1.96, 2.85 A)
&rst
ixpk= 358, nxpk= 10, iat=1145,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 77 ASP HN 76 LYS HN 4.50 (# 359:10 Unique 2.56, 2.74 A)
&rst
ixpk= 359, nxpk= 10, iat=1186,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 76 LYS HA 76 LYS HN 3.50 (# 360:10 Unique 2.79, 2.84 A)
&rst
ixpk= 360, nxpk= 10, iat=1166,1164, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 75 LEU HB+ 76 LYS HN 3.50 (# 361:10 Unique 2.44, 3.39 A)
&rst
ixpk= 361, nxpk= 10, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1149,1150,
&end
#
# 0 AMB 10-2:362 0 AMB 10-1:362 2.80 (# 362:10 Double Ambig)
&rst
ixpk= 362, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1168,1169, 310, 311,
igr2=1164, 323,
&end
#
# 0 AMB 10-2:363 76 LYS HN 3.50 (# 363:10 Single Ambig)
&rst
ixpk= 363, nxpk= 10, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1171,1172,1171,1172,
&end
#
# 20 GLY HA- 20 GLY HN 4.50 (# 365:10 Unique 2.29, 2.68 A)
&rst
ixpk= 365, nxpk= 10, iat= -1, 323, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 325, 326,
&end
#
# 0 AMB 10-2:366 0 AMB 10-1:366 4.50 (# 366:10 Double Ambig)
&rst
ixpk= 366, 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
#
# 19 GLN HA 20 GLY HN 3.50 (# 367:10 Unique 2.15, 2.32 A)
&rst
ixpk= 367, nxpk= 10, iat= 308, 323, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 VAL HN 17 HIS HN 4.50 (# 368:10 Unique 2.39, 2.89 A)
&rst
ixpk= 368, nxpk= 10, iat=1280, 273, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 HIS HA 17 HIS HN 4.50 (# 369:10 Unique 2.91, 2.95 A)
&rst
ixpk= 369, nxpk= 10, iat= 275, 273, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 GLU HA 17 HIS HN 2.80 (# 370:10 Unique 2.17, 2.28 A)
&rst
ixpk= 370, 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 (# 371:10 Unique 2.92, 4.34 A)
&rst
ixpk= 371, nxpk= 10, iat= -1, 273, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 265, 266,
&end
#
# 16 GLU HG- 17 HIS HN 4.50 (# 372:10 Unique 2.92, 4.34 A)
&rst
ixpk= 372, nxpk= 10, iat= -1, 273, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 265, 266,
&end
#
# 30 LYS HN 31 GLU HN 3.50 (# 373:10 Unique 2.56, 2.73 A)
&rst
ixpk= 373, nxpk= 10, iat= 478, 500, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 ARG HN 31 GLU HN 3.50 (# 374:10 Unique 2.06, 2.22 A)
&rst
ixpk= 374, nxpk= 10, iat= 515, 500, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 31 GLU HA 31 GLU HN 3.50 (# 375:10 Unique 2.92, 2.98 A)
&rst
ixpk= 375, nxpk= 10, iat= 502, 500, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:376 31 GLU HN 4.50 (# 376:10 Single Ambig)
&rst
ixpk= 376, 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 10-2:377 31 GLU HN 2.80 (# 377:10 Single Ambig)
&rst
ixpk= 377, 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 4.50 (# 378:10 Unique 2.72, 3.69 A)
&rst
ixpk= 378, nxpk= 10, iat= -1, 500, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 482, 483,
&end
#
# 0 AMB 10-2:379 31 GLU HN 4.50 (# 379:10 Single Ambig)
&rst
ixpk= 379, nxpk= 10, iat= -1, 500, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 482, 483, 522, 523,
&end
#
# 30 LYS HA 31 GLU HN 4.50 (# 380:10 Unique 3.37, 3.50 A)
&rst
ixpk= 380, nxpk= 10, iat= 480, 500, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 12 GLN HN 11 GLU HN 4.50 (# 381:10 Unique 2.80, 2.91 A)
&rst
ixpk= 381, 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 (# 382:10 Unique 2.74, 2.79 A)
&rst
ixpk= 382, nxpk= 10, iat= 173, 171, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:383 11 GLU HN 4.50 (# 383:10 Single Ambig)
&rst
ixpk= 383, nxpk= 10, iat= -1, 171, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 158, 159, 158, 159,
&end
#
# 9 VAL HB 11 GLU HN 4.50 (# 384:10 Unique 2.23, 2.47 A)
&rst
ixpk= 384, nxpk= 10, iat= 145, 171, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:385 11 GLU HN 4.50 (# 385:10 Single Ambig)
&rst
ixpk= 385, nxpk= 10, iat= -1, 171, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 178, 179, 178, 179,
&end
#
# 0 AMB 10-2:386 11 GLU HN 2.80 (# 386:10 Single Ambig)
&rst
ixpk= 386, nxpk= 10, iat= -1, 171, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 175, 176, 175, 176,
&end
#
# 10 PRO HB- 11 GLU HN 4.50 (# 387:10 Unique 3.04, 3.96 A)
&rst
ixpk= 387, nxpk= 10, iat= -1, 171, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 164, 165,
&end
#
# 9 VAL MGX 11 GLU HN 4.50 (# 388:10 Unique 2.48, 4.27 A)
&rst
ixpk= 388, 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 10-2:389 37 VAL HN 4.50 (# 389:10 Single Ambig)
&rst
ixpk= 389, nxpk= 10, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 594, 570,
&end
#
# 37 VAL HB 37 VAL HN 3.50 (# 390:10 Unique 2.70, 2.85 A)
&rst
ixpk= 390, nxpk= 10, iat= 596, 592, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 ALA HN 37 VAL HN 3.50 (# 391:10 Unique 1.85, 2.46 A)
&rst
ixpk= 391, nxpk= 10, iat= 582, 592, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:392 37 VAL HN 4.50 (# 392:10 Single Ambig)
&rst
ixpk= 392, nxpk= 10, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 594, 570,
&end
#
# 37 VAL HB 37 VAL HN 4.50 (# 393:10 Unique 2.70, 2.85 A)
&rst
ixpk= 393, nxpk= 10, iat= 596, 592, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:394 37 VAL HN 3.50 (# 394:10 Single Ambig)
&rst
ixpk= 394, nxpk= 10, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 586, 587, 588, 549, 550,
&end
#
# 37 VAL MGX 37 VAL HN 4.50 (# 395:10 Unique 2.81, 4.27 A)
&rst
ixpk= 395, nxpk= 10, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 598, 599, 600, 602, 603, 604,
&end
#
# 33 ILE HN 32 ARG HN 3.50 (# 396:10 Unique 1.95, 2.54 A)
&rst
ixpk= 396, nxpk= 10, iat= 539, 515, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 31 GLU HN 32 ARG HN 3.50 (# 397:10 Unique 2.06, 2.22 A)
&rst
ixpk= 397, nxpk= 10, iat= 500, 515, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 ARG HA 32 ARG HN 3.50 (# 398:10 Unique 2.74, 2.89 A)
&rst
ixpk= 398, nxpk= 10, iat= 517, 515, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:399 32 ARG HN 4.50 (# 399:10 Single Ambig)
&rst
ixpk= 399, nxpk= 10, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 504, 505, 504, 505,
&end
#
# 0 AMB 10-2:400 32 ARG HN 3.50 (# 400:10 Single Ambig)
&rst
ixpk= 400, 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 3.50 (# 401:10 Unique 2.16, 2.96 A)
&rst
ixpk= 401, nxpk= 10, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 519, 520,
&end
#
# 26 LEU HN 27 LYS HN 5.50 (# 402:10 Unique 2.94, 3.08 A)
&rst
ixpk= 402, nxpk= 10, iat= 406, 425, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 LYS HA 27 LYS HN 3.50 (# 403:10 Unique 2.82, 2.86 A)
&rst
ixpk= 403, nxpk= 10, iat= 427, 425, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:404 27 LYS HN 2.80 (# 404:10 Single Ambig)
&rst
ixpk= 404, 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 10-2:405 27 LYS HN 4.50 (# 405:10 Single Ambig)
&rst
ixpk= 405, nxpk= 10, iat= -1, 425, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 399, 400, 413,
&end
#
# 0 AMB 10-2:406 27 LYS HN 3.50 (# 406:10 Single Ambig)
&rst
ixpk= 406, nxpk= 10, iat= -1, 425, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 432, 433, 432, 433, 410, 411,
&end
#
# 68 HIS HN 67 THR HN 4.50 (# 407:10 Unique 2.00, 2.67 A)
&rst
ixpk= 407, nxpk= 10, iat=1059,1045, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 TYR HA 67 THR HN 2.80 (# 409:10 Unique 2.16, 2.25 A)
&rst
ixpk= 409, nxpk= 10, iat=1026,1045, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 67 THR MG2 67 THR HN 3.50 (# 410:10 Unique 2.17, 3.69 A)
&rst
ixpk= 410, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1051,1052,1053,
&end
#
# 0 AMB 10-2:411 67 THR HN 3.50 (# 411:10 Single Ambig)
&rst
ixpk= 411, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1047,1049,
&end
#
# 54 SER HN 55 GLY HN 4.50 (# 415:10 Unique 2.47, 2.66 A)
&rst
ixpk= 415, nxpk= 10, iat= 854, 865, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:416 0 AMB 10-1:416 2.80 (# 416:10 Double Ambig)
&rst
ixpk= 416, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 867, 868, 243,
igr2= 865, 236, 237,
&end
#
# 0 AMB 10-2:417 0 AMB 10-1:417 3.50 (# 417:10 Double Ambig)
&rst
ixpk= 417, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 867, 868,1320,1321,
igr2= 865, 236, 237,
&end
#
# 12 GLN HG+ 12 GLN HE2+ 4.50 (# 418:10 Unique 2.20, 3.28 A)
&rst
ixpk= 418, 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 10-2:419 0 AMB 10-1:419 4.50 (# 419:10 Double Ambig)
&rst
ixpk= 419, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 193, 194, 93, 94,
igr2= 198, 199, 198, 199,
&end
#
# 8 ARG HA 9 VAL HN 3.50 (# 420:10 Unique 2.36, 2.53 A)
&rst
ixpk= 420, nxpk= 10, iat= 119, 141, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 9 VAL HA 9 VAL HN 4.50 (# 421:10 Unique 2.73, 2.80 A)
&rst
ixpk= 421, nxpk= 10, iat= 143, 141, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 8 ARG HB+ 9 VAL HN 3.50 (# 422:10 Unique 1.96, 3.33 A)
&rst
ixpk= 422, nxpk= 10, iat= -1, 141, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 121, 122,
&end
#
# 8 ARG HB- 9 VAL HN 4.50 (# 423:10 Unique 1.96, 3.33 A)
&rst
ixpk= 423, nxpk= 10, iat= -1, 141, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 121, 122,
&end
#
# 9 VAL MGY 9 VAL HN 3.50 (# 424:10 Unique 1.90, 3.00 A)
&rst
ixpk= 424, 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 3.50 (# 425:10 Unique 1.90, 3.00 A)
&rst
ixpk= 425, 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
#
# 55 GLY HA- 71 ASN HD2+ 4.50 (# 426:10 Unique 2.55, 4.07 A)
&rst
ixpk= 426, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 867, 868,
igr2=1116,1117,
&end
#
# 55 GLY HA- 71 ASN HD2- 4.50 (# 427:10 Unique 2.55, 4.07 A)
&rst
ixpk= 427, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 867, 868,
igr2=1116,1117,
&end
#
# 71 ASN HB+ 71 ASN HD2+ 4.50 (# 428:10 Unique 2.33, 3.27 A)
&rst
ixpk= 428, 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 (# 429:10 Unique 2.33, 3.27 A)
&rst
ixpk= 429, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1111,1112,
igr2=1116,1117,
&end
#
# 0 AMB 10-2:430 0 AMB 10-1:430 5.50 (# 430:10 Double Ambig)
&rst
ixpk= 430, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 879, 880, 876, 877,
igr2= 884, 885, 884, 885,
&end
#
# 74 GLY HA+ 74 GLY HN 4.50 (# 431:10 Unique 2.24, 2.68 A)
&rst
ixpk= 431, nxpk= 10, iat= -1,1138, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1140,1141,
&end
#
# 73 GLY HA+ 74 GLY HN 2.80 (# 432:10 Unique 2.17, 2.82 A)
&rst
ixpk= 432, nxpk= 10, iat= -1,1138, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1133,1134,
&end
#
# 73 GLY HA- 74 GLY HN 3.50 (# 433:10 Unique 2.17, 2.82 A)
&rst
ixpk= 433, nxpk= 10, iat= -1,1138, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1133,1134,
&end
#
# 74 GLY HA- 74 GLY HN 3.50 (# 434:10 Unique 2.24, 2.68 A)
&rst
ixpk= 434, nxpk= 10, iat= -1,1138, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1140,1141,
&end
#
# 34 ALA HN 35 THR HN 3.50 (# 435:10 Unique 2.71, 2.80 A)
&rst
ixpk= 435, nxpk= 10, iat= 558, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 THR HB 35 THR HN 3.50 (# 436:10 Unique 2.71, 3.44 A)
&rst
ixpk= 436, nxpk= 10, iat= 572, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 THR HA 35 THR HN 4.50 (# 437:10 Unique 2.85, 2.93 A)
&rst
ixpk= 437, nxpk= 10, iat= 570, 568, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 ALA MB 35 THR HN 4.50 (# 438:10 Unique 2.68, 3.73 A)
&rst
ixpk= 438, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 562, 563, 564,
&end
#
# 35 THR MG2 35 THR HN 4.50 (# 439:10 Unique 2.32, 3.88 A)
&rst
ixpk= 439, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 574, 575, 576,
&end
#
# 36 ALA HN 35 THR HN 3.50 (# 440:10 Unique 1.97, 2.35 A)
&rst
ixpk= 440, nxpk= 10, iat= 582, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 ASN HA 23 ASN HD2+ 4.50 (# 441:10 Unique 2.42, 3.11 A)
&rst
ixpk= 441, nxpk= 10, iat= 361, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 368, 369,
&end
#
# 23 ASN HA 23 ASN HD2- 3.50 (# 442:10 Unique 2.42, 3.11 A)
&rst
ixpk= 442, nxpk= 10, iat= 361, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 368, 369,
&end
#
# 72 ALA HN 73 GLY HN 3.50 (# 443:10 Unique 2.38, 2.63 A)
&rst
ixpk= 443, nxpk= 10, iat=1121,1131, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 73 GLY HA+ 73 GLY HN 3.50 (# 444:10 Unique 2.25, 2.73 A)
&rst
ixpk= 444, nxpk= 10, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1133,1134,
&end
#
# 73 GLY HA- 73 GLY HN 3.50 (# 445:10 Unique 2.25, 2.73 A)
&rst
ixpk= 445, nxpk= 10, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1133,1134,
&end
#
# 65 GLY HA+ 65 GLY HN 4.50 (# 446:10 Unique 2.27, 2.63 A)
&rst
ixpk= 446, nxpk= 10, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1019,1020,
&end
#
# 66 TYR HN 65 GLY HN 3.50 (# 447:10 Unique 1.94, 2.44 A)
&rst
ixpk= 447, nxpk= 10, iat=1024,1017, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 GLY HA- 65 GLY HN 3.50 (# 448:10 Unique 2.27, 2.63 A)
&rst
ixpk= 448, nxpk= 10, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1019,1020,
&end
#
# 46 VAL HN 72 ALA HN 4.50 (# 449:10 Unique 3.06, 3.44 A)
&rst
ixpk= 449, nxpk= 10, iat= 734,1121, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 VAL MGX 72 ALA HN 4.50 (# 450:10 Unique 3.27, 5.59 A)
&rst
ixpk= 450, nxpk= 10, iat= -1,1121, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 10-2:451 45 LYS HN 5.50 (# 451:10 Single Ambig)
&rst
ixpk= 451, 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
#
# 21 ALA MB 6 ASP HN 4.50 (# 452:10 Unique 2.67, 3.96 A)
&rst
ixpk= 452, nxpk= 10, iat= -1, 89, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 334, 335, 336,
&end
#
# 69 VAL HN 68 HIS HN 5.50 (# 453:10 Unique 2.29, 3.25 A)
&rst
ixpk= 453, nxpk= 10, iat=1076,1059, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:454 68 HIS HN 4.50 (# 454:10 Single Ambig)
&rst
ixpk= 454, nxpk= 10, iat= -1,1059, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1047,1049,
&end
#
# 68 HIS HB+ 68 HIS HN 4.50 (# 455:10 Unique 2.62, 3.26 A)
&rst
ixpk= 455, nxpk= 10, iat= -1,1059, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1063,1064,
&end
#
# 67 THR MG2 68 HIS HN 5.50 (# 456:10 Unique 3.47, 5.02 A)
&rst
ixpk= 456, nxpk= 10, iat= -1,1059, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1051,1052,1053,
&end
#
# 7 VAL HA 24 ILE HN 5.50 (# 458:10 Unique 2.78, 3.08 A)
&rst
ixpk= 458, nxpk= 10, iat= 103, 373, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 ILE HG1- 24 ILE HN 5.50 (# 459:10 Unique 2.94, 3.49 A)
&rst
ixpk= 459, nxpk= 10, iat= -1, 373, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 383, 384,
&end
#
# 0 AMB 10-2:460 24 ILE HN 5.50 (# 460:10 Single Ambig)
&rst
ixpk= 460, nxpk= 10, iat= -1, 373, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 383, 384, 107, 108, 109, 111, 112, 113,
&end
#
# 83 VAL MGY 84 LYS HN 4.50 (# 461:10 Unique 2.35, 4.53 A)
&rst
ixpk= 461, 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
#
# 33 ILE HA 36 ALA HN 4.50 (# 462:10 Unique 3.04, 3.23 A)
&rst
ixpk= 462, nxpk= 10, iat= 541, 582, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 4 TRP HB+ 5 ILE HN 5.50 (# 463:10 Unique 2.84, 3.77 A)
&rst
ixpk= 463, nxpk= 10, iat= -1, 70, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 50, 51,
&end
#
# 62 SER HA 63 GLU HN 4.50 (# 464:10 Unique 3.60, 3.63 A)
&rst
ixpk= 464, nxpk= 10, iat= 976, 985, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 PRO HA 26 LEU HN 4.50 (# 465:10 Unique 2.16, 2.23 A)
&rst
ixpk= 465, nxpk= 10, iat= 402, 406, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:466 75 LEU HN 5.50 (# 466:10 Single Ambig)
&rst
ixpk= 466, nxpk= 10, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1154,1155,1156,1158,1159,1160,1208,1209,
&end
#
# 0 AMB 10-2:467 0 AMB 10-1:467 5.50 (# 467:10 Double Ambig)
&rst
ixpk= 467, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 974, 425,
igr2= 985, 406,
&end
#
# 25 PRO HB+ 26 LEU HN 5.50 (# 468:10 Unique 2.94, 3.44 A)
&rst
ixpk= 468, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 399, 400,
&end
#
# 26 LEU MDX 26 LEU HN 5.50 (# 469:10 Unique 4.44, 5.08 A)
&rst
ixpk= 469, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 10-2:470 26 LEU HN 5.50 (# 470:10 Single Ambig)
&rst
ixpk= 470, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 107, 108, 109, 111, 112, 113, 468, 469, 470, 472,
473, 474,
&end
#
# 7 VAL MGX 26 LEU HN 5.50 (# 471:10 Unique 4.08, 5.32 A)
&rst
ixpk= 471, 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
#
# 0 AMB 10-2:472 34 ALA HN 4.50 (# 472:10 Single Ambig)
&rst
ixpk= 472, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 543, 522, 523,
&end
#
# 77 ASP HA 78 ILE HN 5.50 (# 473:10 Unique 3.55, 3.59 A)
&rst
ixpk= 473, nxpk= 10, iat=1188,1198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:474 78 ILE HN 5.50 (# 474:10 Single Ambig)
&rst
ixpk= 474, nxpk= 10, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1190,1191,1271,1272,
&end
#
# 78 ILE QG2 78 ILE HN 4.50 (# 475:10 Unique 4.14, 4.50 A)
&rst
ixpk= 475, nxpk= 10, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1204,1205,1206,
&end
#
# 78 ILE QD1 78 ILE HN 5.50 (# 476:10 Unique 2.09, 3.02 A)
&rst
ixpk= 476, nxpk= 10, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1211,1212,1213,
&end
#
# 7 VAL HA 8 ARG HN 4.50 (# 477:10 Unique 2.40, 2.96 A)
&rst
ixpk= 477, nxpk= 10, iat= 103, 117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:478 8 ARG HN 4.50 (# 478:10 Single Ambig)
&rst
ixpk= 478, nxpk= 10, iat= -1, 117, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 396, 397, 410, 411,
&end
#
# 20 GLY HA+ 21 ALA HN 5.50 (# 479:10 Unique 2.72, 3.32 A)
&rst
ixpk= 479, nxpk= 10, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 325, 326,
&end
#
# 18 VAL MGX 21 ALA HN 5.50 (# 481:10 Unique 2.57, 5.14 A)
&rst
ixpk= 481, 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
#
# 81 PRO HB- 82 LYS HN 4.50 (# 482:10 Unique 2.83, 3.32 A)
&rst
ixpk= 482, nxpk= 10, iat= -1,1258, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1251,1252,
&end
#
# 82 LYS HG- 82 LYS HN 5.50 (# 483:10 Unique 2.86, 3.74 A)
&rst
ixpk= 483, nxpk= 10, iat= -1,1258, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1265,1266,
&end
#
# 0 AMB 10-2:484 56 GLN HN 4.50 (# 484:10 Single Ambig)
&rst
ixpk= 484, nxpk= 10, iat= -1, 872, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 867, 868, 856,
&end
#
# 56 GLN HA 57 ALA HN 4.50 (# 486:10 Unique 3.62, 3.64 A)
&rst
ixpk= 486, nxpk= 10, iat= 874, 889, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 LEU MDX 57 ALA HN 5.50 (# 487:10 Unique 2.47, 4.13 A)
&rst
ixpk= 487, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 415, 416, 417, 419, 420, 421,
&end
#
# 34 ALA HN 33 ILE HN 4.50 (# 488:10 Unique 2.75, 2.83 A)
&rst
ixpk= 488, nxpk= 10, iat= 558, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 HIS HN 69 VAL HN 4.50 (# 489:10 Unique 2.29, 3.25 A)
&rst
ixpk= 489, nxpk= 10, iat=1059,1076, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:490 0 AMB 10-1:490 5.50 (# 490:10 Double Ambig)
&rst
ixpk= 490, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1063,1064, 823, 824, 823, 824,
igr2=1076, 813,
&end
#
# 43 THR HB 3 HIS HN 4.50 (# 491:10 Unique 3.43, 3.69 A)
&rst
ixpk= 491, nxpk= 10, iat= 686, 29, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 3 HIS HB+ 3 HIS HN 4.50 (# 492:10 Unique 2.28, 3.17 A)
&rst
ixpk= 492, 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 (# 493:10 Unique 2.77, 2.84 A)
&rst
ixpk= 493, nxpk= 10, iat= 292, 290, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:494 29 VAL HN 4.50 (# 494:10 Single Ambig)
&rst
ixpk= 494, nxpk= 10, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 451, 452, 482, 483,
&end
#
# 70 GLU HB+ 71 ASN HN 4.50 (# 496:10 Unique 2.53, 3.91 A)
&rst
ixpk= 496, nxpk= 10, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1096,1097,
&end
#
# 70 GLU HB- 71 ASN HN 5.50 (# 497:10 Unique 2.53, 3.91 A)
&rst
ixpk= 497, nxpk= 10, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1096,1097,
&end
#
# 58 LYS HD- 71 ASN HN 4.50 (# 498:10 Unique 3.68, 5.04 A)
&rst
ixpk= 498, nxpk= 10, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 909, 910,
&end
#
# 10 PRO HA 13 TYR HN 5.50 (# 499:10 Unique 2.79, 3.06 A)
&rst
ixpk= 499, nxpk= 10, iat= 167, 203, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 GLY HA- 66 TYR HN 4.50 (# 500:10 Unique 2.69, 3.32 A)
&rst
ixpk= 500, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1019,1020,
&end
#
# 0 AMB 10-2:501 60 ILE HN 5.50 (# 501:10 Single Ambig)
&rst
ixpk= 501, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 923, 978, 979,
&end
#
# 53 GLN HN 54 SER HN 4.50 (# 502:10 Unique 2.46, 2.69 A)
&rst
ixpk= 502, nxpk= 10, iat= 837, 854, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 MET HG+ 80 MET HN 4.50 (# 503:10 Unique 2.56, 3.61 A)
&rst
ixpk= 503, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1234,1235,
&end
#
# 80 MET HB+ 80 MET HN 4.50 (# 504:10 Unique 2.28, 3.25 A)
&rst
ixpk= 504, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1231,1232,
&end
#
# 0 AMB 10-2:505 59 GLU HN 4.50 (# 505:10 Single Ambig)
&rst
ixpk= 505, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 903, 904, 909, 910,
&end
#
# 83 VAL MGY 83 VAL HN 4.50 (# 506:10 Unique 1.88, 3.43 A)
&rst
ixpk= 506, 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
#
# 12 GLN HN 14 GLN HN 5.50 (# 507:10 Unique 3.95, 4.11 A)
&rst
ixpk= 507, nxpk= 10, iat= 186, 224, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:508 0 AMB 10-1:508 5.50 (# 508:10 Double Ambig)
&rst
ixpk= 508, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 91, 938,
igr2= 750, 955,
&end
#
# 19 GLN HN 83 VAL HN 4.50 (# 509:10 Unique 3.18, 3.81 A)
&rst
ixpk= 509, nxpk= 10, iat= 306,1280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 ASN HB+ 49 ASN HD2+ 4.50 (# 510:10 Unique 2.21, 3.32 A)
&rst
ixpk= 510, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 786, 787,
igr2= 791, 792,
&end
#
# 37 VAL HA 39 ASP HN 4.50 (# 511:10 Unique 3.22, 3.64 A)
&rst
ixpk= 511, nxpk= 10, iat= 594, 622, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 VAL HA 30 LYS HN 5.50 (# 512:10 Unique 3.42, 3.52 A)
&rst
ixpk= 512, nxpk= 10, iat= 464, 478, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 VAL HA 7 VAL HN 4.50 (# 513:10 Unique 2.97, 2.99 A)
&rst
ixpk= 513, nxpk= 10, iat= 103, 101, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 GLY HA+ 48 CYS HN 5.50 (# 516:10 Unique 1.94, 3.85 A)
&rst
ixpk= 516, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1140,1141,
&end
#
# 16 GLU HA 85 GLY HN 4.50 (# 517:10 Unique 2.84, 3.86 A)
&rst
ixpk= 517, nxpk= 10, iat= 260,1318, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 84 LYS HB- 85 GLY HN 4.50 (# 518:10 Unique 2.28, 3.29 A)
&rst
ixpk= 518, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1300,1301,
&end
#
# 12 GLN HA 15 GLN HN 4.50 (# 519:10 Unique 2.88, 3.60 A)
&rst
ixpk= 519, nxpk= 10, iat= 188, 241, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 GLN HG- 15 GLN HN 4.50 (# 520:10 Unique 1.88, 2.75 A)
&rst
ixpk= 520, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 248, 249,
&end
#
# 27 LYS HA 28 GLU HN 4.50 (# 521:10 Unique 3.40, 3.45 A)
&rst
ixpk= 521, nxpk= 10, iat= 427, 447, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 76 LYS HA 77 ASP HN 4.50 (# 523:10 Unique 3.42, 3.54 A)
&rst
ixpk= 523, nxpk= 10, iat=1166,1186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:524 41 ASN HN 5.50 (# 524:10 Single Ambig)
&rst
ixpk= 524, nxpk= 10, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 624, 672,
&end
#
# 40 LYS HA 41 ASN HN 5.50 (# 525:10 Unique 3.28, 3.38 A)
&rst
ixpk= 525, nxpk= 10, iat= 636, 656, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 72 ALA HN 46 VAL HN 4.50 (# 526:10 Unique 3.06, 3.44 A)
&rst
ixpk= 526, nxpk= 10, iat=1121, 734, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:527 46 VAL HN 5.50 (# 527:10 Single Ambig)
&rst
ixpk= 527, nxpk= 10, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 738,1096,1097, 74,
&end
#
# 46 VAL MGY 46 VAL HN 4.50 (# 528:10 Unique 1.97, 3.33 A)
&rst
ixpk= 528, 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
#
# 66 TYR HN 64 MET HN 5.50 (# 529:10 Unique 3.99, 4.17 A)
&rst
ixpk= 529, nxpk= 10, iat=1024,1000, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 TYR HA 16 GLU HN 5.50 (# 531:10 Unique 3.24, 3.81 A)
&rst
ixpk= 531, nxpk= 10, iat= 205, 258, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:532 0 AMB 10-1:532 4.50 (# 532:10 Double Ambig)
&rst
ixpk= 532, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 325, 326,1140,1141,
igr2= 323,1164,
&end
#
# 0 AMB 10-2:533 76 LYS HN 5.50 (# 533:10 Single Ambig)
&rst
ixpk= 533, nxpk= 10, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1152,1202,
&end
#
# 84 LYS HA 17 HIS HN 4.50 (# 534:10 Unique 3.32, 3.81 A)
&rst
ixpk= 534, nxpk= 10, iat=1298, 273, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 GLU HB+ 17 HIS HN 5.50 (# 535:10 Unique 2.61, 3.65 A)
&rst
ixpk= 535, nxpk= 10, iat= -1, 273, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 262, 263,
&end
#
# 28 GLU HA 31 GLU HN 5.50 (# 536:10 Unique 3.17, 3.61 A)
&rst
ixpk= 536, nxpk= 10, iat= 449, 500, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 ALA HA 37 VAL HN 4.50 (# 537:10 Unique 3.54, 3.58 A)
&rst
ixpk= 537, nxpk= 10, iat= 584, 592, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 PRO HD- 37 VAL HN 5.50 (# 538:10 Unique 3.01, 3.79 A)
&rst
ixpk= 538, nxpk= 10, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 609, 610,
&end
#
# 0 AMB 10-2:539 37 VAL HN 5.50 (# 539:10 Single Ambig)
&rst
ixpk= 539, nxpk= 10, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 598, 599, 600, 602, 603, 604, 549, 550,
&end
#
# 33 ILE QD1 37 VAL HN 5.50 (# 540:10 Unique 3.02, 4.57 A)
&rst
ixpk= 540, nxpk= 10, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 552, 553, 554,
&end
#
# 31 GLU HA 32 ARG HN 5.50 (# 541:10 Unique 3.26, 3.55 A)
&rst
ixpk= 541, nxpk= 10, iat= 502, 515, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 VAL HA 32 ARG HN 4.50 (# 542:10 Unique 3.48, 3.75 A)
&rst
ixpk= 542, nxpk= 10, iat= 464, 515, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:543 32 ARG HN 4.50 (# 543:10 Single Ambig)
&rst
ixpk= 543, nxpk= 10, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 379, 380, 381, 386, 387, 388,
&end
#
# 26 LEU HA 27 LYS HN 5.50 (# 544:10 Unique 3.56, 3.58 A)
&rst
ixpk= 544, nxpk= 10, iat= 408, 425, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:545 27 LYS HN 5.50 (# 545:10 Single Ambig)
&rst
ixpk= 545, nxpk= 10, iat= -1, 425, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 399, 400, 454, 455,
&end
#
# 66 TYR HB+ 67 THR HN 5.50 (# 546:10 Unique 2.61, 3.70 A)
&rst
ixpk= 546, 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 (# 547:10 Unique 2.83, 4.50 A)
&rst
ixpk= 547, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 638, 639,
&end
#
# 51 GLY HA+ 51 GLY HN 5.50 (# 548:10 Unique 2.25, 2.60 A)
&rst
ixpk= 548, nxpk= 10, iat= -1, 806, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 808, 809,
&end
#
# 73 GLY HA+ 51 GLY HN 5.50 (# 549:10 Unique 4.27, 5.99 A)
&rst
ixpk= 549, nxpk= 10, iat= -1, 806, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1133,1134,
&end
#
# 53 GLN HG+ 53 GLN HE2+ 5.50 (# 550:10 Unique 2.26, 3.37 A)
&rst
ixpk= 550, 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 (# 551:10 Unique 2.26, 3.37 A)
&rst
ixpk= 551, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 844, 845,
igr2= 849, 850,
&end
#
# 52 ARG HA 55 GLY HN 4.50 (# 552:10 Unique 2.72, 3.24 A)
&rst
ixpk= 552, nxpk= 10, iat= 815, 865, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 9 VAL HB 9 VAL HN 4.50 (# 553:10 Unique 3.47, 3.54 A)
&rst
ixpk= 553, nxpk= 10, iat= 145, 141, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 71 ASN HB+ 71 ASN HD2- 5.50 (# 554:10 Unique 2.33, 3.27 A)
&rst
ixpk= 554, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1111,1112,
igr2=1116,1117,
&end
#
# 71 ASN HB- 71 ASN HD2- 5.50 (# 555:10 Unique 2.33, 3.27 A)
&rst
ixpk= 555, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1111,1112,
igr2=1116,1117,
&end
#
# 0 AMB 10-2:556 0 AMB 10-1:556 4.50 (# 556:10 Double Ambig)
&rst
ixpk= 556, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 396, 397, 363, 364,
igr2= 368, 369, 368, 369,
&end
#
# 71 ASN HA 73 GLY HN 4.50 (# 557:10 Unique 3.22, 3.71 A)
&rst
ixpk= 557, nxpk= 10, iat=1109,1131, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:558 73 GLY HN 4.50 (# 558:10 Single Ambig)
&rst
ixpk= 558, nxpk= 10, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1123,1140,1141,
&end
#
# 24 ILE HA 24 ILE HN 4.50 (# 559:10 Unique 2.95, 2.97 A)
&rst
ixpk= 559, nxpk= 10, iat= 375, 373, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 PRO HB- 26 LEU HN 5.50 (# 560:10 Unique 2.94, 3.44 A)
&rst
ixpk= 560, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 399, 400,
&end
#
# 32 ARG HA 33 ILE HN 4.50 (# 561:10 Unique 3.49, 3.55 A)
&rst
ixpk= 561, nxpk= 10, iat= 517, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 83 VAL HB 83 VAL HN 4.50 (# 562:10 Unique 2.51, 3.43 A)
&rst
ixpk= 562, nxpk= 10, iat=1284,1280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:563 53 GLN HN 4.50 (# 563:10 Single Ambig)
&rst
ixpk= 563, nxpk= 10, iat= -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 839, 815,
&end
#
# 53 GLN HG+ 53 GLN HN 4.50 (# 564:10 Unique 1.93, 2.90 A)
&rst
ixpk= 564, nxpk= 10, iat= -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 844, 845,
&end
#
# 0 AMB 10-2:565 53 GLN HN 4.50 (# 565:10 Single Ambig)
&rst
ixpk= 565, nxpk= 10, iat= -1, 837, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 817, 818, 817, 818,
&end
#
# 0 AMB 10-2:566 78 ILE HN 5.50 (# 566:10 Single Ambig)
&rst
ixpk= 566, nxpk= 10, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1190,1191,1271,1272,
&end
#
# 0 AMB 10-2:568 66 TYR HN 5.50 (# 568:10 Single Ambig)
&rst
ixpk= 568, 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
#
# 24 ILE QG2 28 GLU HN 5.50 (# 569:10 Unique 4.30, 5.52 A)
&rst
ixpk= 569, nxpk= 10, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 379, 380, 381,
&end
#
# 0 AMB 10-2:570 28 GLU HN 4.50 (# 570:10 Single Ambig)
&rst
ixpk= 570, nxpk= 10, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 468, 469, 470, 472, 473, 474, 415, 416, 417, 419,
420, 421,
&end
#
# 73 GLY HA+ 71 ASN HD2- 5.50 (# 571:10 Unique 2.87, 4.77 A)
&rst
ixpk= 571, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1133,1134,
igr2=1116,1117,
&end
#
# 72 ALA MB 73 GLY HN 4.50 (# 572:10 Unique 2.66, 3.71 A)
&rst
ixpk= 572, nxpk= 10, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1125,1126,1127,
&end
#
# 70 GLU HN 46 VAL HN 5.50 (# 573:10 Unique 3.36, 3.55 A)
&rst
ixpk= 573, nxpk= 10, iat=1092, 734, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:575 0 AMB 10-1:575 5.50 (# 575:10 Double Ambig)
&rst
ixpk= 575, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 117, 936, 849, 850,
igr2= 406, 985,
&end
#
# 44 VAL MGX 44 VAL HN 5.50 (# 576:10 Unique 2.18, 4.18 A)
&rst
ixpk= 576, 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
#
# 68 HIS HB+ 44 VAL HN 5.50 (# 577:10 Unique 3.65, 4.11 A)
&rst
ixpk= 577, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1063,1064,
&end
#
# 3 HIS HB- 45 LYS HN 5.50 (# 578:10 Unique 4.03, 4.72 A)
&rst
ixpk= 578, nxpk= 10, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 33, 34,
&end
#
# 6 ASP HA 6 ASP HN 5.50 (# 579:10 Unique 2.96, 2.98 A)
&rst
ixpk= 579, nxpk= 10, iat= 91, 89, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 ILE HN 6 ASP HN 5.50 (# 580:10 Unique 3.25, 3.55 A)
&rst
ixpk= 580, nxpk= 10, iat= 373, 89, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:581 70 GLU HN 5.50 (# 581:10 Single Ambig)
&rst
ixpk= 581, nxpk= 10, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1099,1100,1099,1100,
&end
#
# 0 AMB 10-2:582 70 GLU HN 5.50 (# 582:10 Single Ambig)
&rst
ixpk= 582, nxpk= 10, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 702, 703, 704, 706, 707, 708, 719, 720,
&end
#
# 78 ILE QD1 75 LEU HN 5.50 (# 584:10 Unique 2.63, 5.20 A)
&rst
ixpk= 584, nxpk= 10, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1211,1212,1213,
&end
#
# 75 LEU MDY 75 LEU HN 5.50 (# 585:10 Unique 4.25, 5.18 A)
&rst
ixpk= 585, nxpk= 10, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1154,1155,1156,1158,1159,1160,
&end
#
# 0 AMB 10-2:586 34 ALA HN 5.50 (# 586:10 Single Ambig)
&rst
ixpk= 586, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 552, 553, 554, 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 10-2:587 8 ARG HN 5.50 (# 587:10 Single Ambig)
&rst
ixpk= 587, nxpk= 10, iat= -1, 117, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 107, 108, 109, 111, 112, 113,1154,1155,1156,1158,
1159,1160,
&end
#
# 22 ILE QG2 22 ILE HN 5.50 (# 589:10 Unique 2.33, 4.11 A)
&rst
ixpk= 589, nxpk= 10, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 346, 347, 348,
&end
#
# 22 ILE HG1- 22 ILE HN 4.50 (# 590:10 Unique 1.90, 2.70 A)
&rst
ixpk= 590, nxpk= 10, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 350, 351,
&end
#
# 0 AMB 10-2:591 22 ILE HN 5.50 (# 591:10 Single Ambig)
&rst
ixpk= 591, nxpk= 10, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 83, 84, 85, 76, 77, 78,
&end
#
# 4 TRP HB- 22 ILE HN 5.50 (# 592:10 Unique 3.96, 4.71 A)
&rst
ixpk= 592, nxpk= 10, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 50, 51,
&end
#
# 40 LYS HA 42 ASP HN 5.50 (# 593:10 Unique 3.28, 3.54 A)
&rst
ixpk= 593, nxpk= 10, iat= 636, 670, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 VAL MGX 57 ALA HN 5.50 (# 594:10 Unique 3.35, 5.34 A)
&rst
ixpk= 594, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 10-2:595 57 ALA HN 5.50 (# 595:10 Single Ambig)
&rst
ixpk= 595, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 107, 108, 109, 111, 112, 113, 740, 741, 742, 744,
745, 746, 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 10-2:596 3 HIS HN 4.50 (# 596:10 Single Ambig)
&rst
ixpk= 596, nxpk= 10, iat= -1, 29, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 21, 22, 21, 22,
&end
#
# 43 THR MG2 3 HIS HN 5.50 (# 597:10 Unique 3.76, 5.25 A)
&rst
ixpk= 597, nxpk= 10, iat= -1, 29, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 688, 689, 690,
&end
#
# 0 AMB 10-2:598 3 HIS HN 5.50 (# 598:10 Single Ambig)
&rst
ixpk= 598, nxpk= 10, iat= -1, 29, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 702, 703, 704, 706, 707, 708, 722, 723,
&end
#
# 75 LEU MDY 18 VAL HN 5.50 (# 599:10 Unique 1.88, 4.27 A)
&rst
ixpk= 599, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1154,1155,1156,1158,1159,1160,
&end
#
# 0 AMB 10-2:601 71 ASN HN 5.50 (# 601:10 Single Ambig)
&rst
ixpk= 601, nxpk= 10, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 740, 741, 742, 744, 745, 746,1082,1083,1084,1086,
1087,1088,1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 10-2:602 71 ASN HN 5.50 (# 602:10 Single Ambig)
&rst
ixpk= 602, nxpk= 10, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1099,1100,1099,1100,
&end
#
# 65 GLY HA+ 66 TYR HN 5.50 (# 603:10 Unique 2.69, 3.32 A)
&rst
ixpk= 603, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1019,1020,
&end
#
# 0 AMB 10-2:604 66 TYR HN 5.50 (# 604:10 Single Ambig)
&rst
ixpk= 604, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 957, 978, 979, 978, 979,
&end
#
# 55 GLY HN 54 SER HN 5.50 (# 606:10 Unique 2.47, 2.66 A)
&rst
ixpk= 606, nxpk= 10, iat= 865, 854, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 VAL MGX 54 SER HN 5.50 (# 608:10 Unique 3.85, 6.12 A)
&rst
ixpk= 608, 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
#
# 56 GLN HG+ 54 SER HN 5.50 (# 609:10 Unique 5.00, 6.06 A)
&rst
ixpk= 609, nxpk= 10, iat= -1, 854, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 879, 880,
&end
#
# 54 SER HB- 54 SER HN 5.50 (# 610:10 Unique 2.45, 3.17 A)
&rst
ixpk= 610, nxpk= 10, iat= -1, 854, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 858, 859,
&end
#
# 0 AMB 10-2:611 59 GLU HN 5.50 (# 611:10 Single Ambig)
&rst
ixpk= 611, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 940, 946, 947, 959, 960,
&end
#
# 58 LYS HG+ 59 GLU HN 5.50 (# 612:10 Unique 4.34, 4.76 A)
&rst
ixpk= 612, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 906, 907,
&end
#
# 18 VAL HA 83 VAL HN 5.50 (# 614:10 Unique 3.41, 3.99 A)
&rst
ixpk= 614, nxpk= 10, iat= 292,1280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 VAL HN 47 TYR HN 5.50 (# 615:10 Unique 3.15, 3.53 A)
&rst
ixpk= 615, nxpk= 10, iat= 101, 750, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 10 PRO HA 14 GLN HN 5.50 (# 618:10 Unique 3.85, 4.52 A)
&rst
ixpk= 618, 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 (# 622:10 Unique 3.35, 3.55 A)
&rst
ixpk= 622, nxpk= 10, iat= 618, 622, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:623 7 VAL HN 5.50 (# 623:10 Single Ambig)
&rst
ixpk= 623, nxpk= 10, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 124, 125, 124, 125, 738, 74,
&end
#
# 0 AMB 10-2:624 7 VAL HN 5.50 (# 624:10 Single Ambig)
&rst
ixpk= 624, nxpk= 10, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 121, 122, 105,
&end
#
# 0 AMB 10-2:625 85 GLY HN 5.50 (# 625:10 Single Ambig)
&rst
ixpk= 625, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1303,1304,1303,1304,
&end
#
# 64 MET HN 62 SER HN 5.50 (# 626:10 Unique 3.88, 4.05 A)
&rst
ixpk= 626, 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 (# 627:10 Unique 4.00, 4.18 A)
&rst
ixpk= 627, nxpk= 10, iat= 901, 974, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:628 62 SER HN 5.50 (# 628:10 Single Ambig)
&rst
ixpk= 628, nxpk= 10, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 989, 990, 989, 990, 925, 926, 925, 926,
&end
#
# 61 LEU HG 62 SER HN 5.50 (# 629:10 Unique 4.50, 4.59 A)
&rst
ixpk= 629, nxpk= 10, iat= 962, 974, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 40 LYS HB+ 41 ASN HN 5.50 (# 630:10 Unique 3.27, 4.26 A)
&rst
ixpk= 630, nxpk= 10, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 638, 639,
&end
#
# 40 LYS HB- 41 ASN HN 5.50 (# 631:10 Unique 3.27, 4.26 A)
&rst
ixpk= 631, nxpk= 10, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 638, 639,
&end
#
# 45 LYS HB- 46 VAL HN 5.50 (# 632:10 Unique 3.37, 4.06 A)
&rst
ixpk= 632, nxpk= 10, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 716, 717,
&end
#
# 0 AMB 10-2:633 46 VAL HN 5.50 (# 633:10 Single Ambig)
&rst
ixpk= 633, nxpk= 10, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 702, 703, 704, 706, 707, 708, 719, 720,
&end
#
# 41 ASN HB+ 41 ASN HD2- 5.50 (# 634:10 Unique 2.23, 3.39 A)
&rst
ixpk= 634, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 660, 661,
igr2= 665, 666,
&end
#
# 0 AMB 10-2:635 0 AMB 10-1:635 5.50 (# 635:10 Double Ambig)
&rst
ixpk= 635, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1154,1155,1156,1158,1159,1160,1286,1287,1288,1290,
1291,1292,
igr2=1164, 323,
&end
#
# 0 AMB 10-2:636 76 LYS HN 5.50 (# 636:10 Single Ambig)
&rst
ixpk= 636, nxpk= 10, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1154,1155,1156,1158,1159,1160,1208,1209,
&end
#
# 83 VAL MGX 17 HIS HN 5.50 (# 637:10 Unique 3.32, 5.33 A)
&rst
ixpk= 637, 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 10-2:638 17 HIS HN 5.50 (# 638:10 Single Ambig)
&rst
ixpk= 638, 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
#
# 30 LYS HG- 30 LYS HN 5.50 (# 639:10 Unique 2.05, 3.52 A)
&rst
ixpk= 639, nxpk= 10, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 485, 486,
&end
#
# 17 HIS HB+ 17 HIS HN 5.50 (# 640:10 Unique 2.33, 3.49 A)
&rst
ixpk= 640, nxpk= 10, iat= -1, 273, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 277, 278,
&end
#
# 26 LEU MDY 27 LYS HN 5.50 (# 641:10 Unique 3.30, 5.43 A)
&rst
ixpk= 641, nxpk= 10, iat= -1, 425, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 415, 416, 417, 419, 420, 421,
&end
#
# 26 LEU MDX 27 LYS HN 5.50 (# 642:10 Unique 3.30, 5.43 A)
&rst
ixpk= 642, nxpk= 10, iat= -1, 425, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 415, 416, 417, 419, 420, 421,
&end
#
# 66 TYR HB- 67 THR HN 5.50 (# 644:10 Unique 2.61, 3.70 A)
&rst
ixpk= 644, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1028,1029,
&end
#
# 53 GLN HG- 53 GLN HE2- 5.50 (# 645:10 Unique 2.26, 3.37 A)
&rst
ixpk= 645, 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 (# 646:10 Unique 2.26, 3.37 A)
&rst
ixpk= 646, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 844, 845,
igr2= 849, 850,
&end
#
# 12 GLN HG+ 12 GLN HE2- 5.50 (# 647:10 Unique 2.20, 3.28 A)
&rst
ixpk= 647, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 193, 194,
igr2= 198, 199,
&end
#
# 0 AMB 10-2:648 12 GLN HE2- 5.50 (# 648:10 Single Ambig)
&rst
ixpk= 648, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 193, 194, 93, 94,
igr2= 198, 199,
&end
#
# 0 AMB 10-2:650 9 VAL HN 5.50 (# 650:10 Single Ambig)
&rst
ixpk= 650, nxpk= 10, iat= -1, 141, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 396, 397, 410, 411,
&end
#
# 0 AMB 10-2:652 23 ASN HD2- 5.50 (# 652:10 Single Ambig)
&rst
ixpk= 652, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 396, 397, 363, 364,
igr2= 368, 369,
&end
#
# 23 ASN HB- 23 ASN HD2- 5.50 (# 653:10 Unique 2.42, 3.50 A)
&rst
ixpk= 653, 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 (# 654:10 Unique 2.42, 3.50 A)
&rst
ixpk= 654, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 363, 364,
igr2= 368, 369,
&end
#
# 6 ASP HB+ 23 ASN HD2- 5.50 (# 655:10 Unique 2.73, 4.50 A)
&rst
ixpk= 655, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 93, 94,
igr2= 368, 369,
&end
#
# 78 ILE QG2 79 ALA HN 4.50 (# 656:10 Unique 2.28, 3.74 A)
&rst
ixpk= 656, nxpk= 10, iat= -1,1217, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1204,1205,1206,
&end
#
# 79 ALA MB 79 ALA HN 4.50 (# 657:10 Unique 2.44, 2.93 A)
&rst
ixpk= 657, nxpk= 10, iat= -1,1217, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1221,1222,1223,
&end
#
# 78 ILE HA 79 ALA HN 3.50 (# 658:10 Unique 2.13, 2.18 A)
&rst
ixpk= 658, nxpk= 10, iat=1200,1217, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 ALA HA 79 ALA HN 4.50 (# 659:10 Unique 2.86, 2.91 A)
&rst
ixpk= 659, nxpk= 10, iat=1219,1217, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 TYR HA 73 GLY HN 5.50 (# 662:10 Unique 2.45, 3.74 A)
&rst
ixpk= 662, nxpk= 10, iat= 752,1131, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:663 65 GLY HN 5.50 (# 663:10 Single Ambig)
&rst
ixpk= 663, nxpk= 10, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 976,1026,
&end
#
# 64 MET HA 65 GLY HN 5.50 (# 664:10 Unique 3.28, 3.44 A)
&rst
ixpk= 664, nxpk= 10, iat=1002,1017, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 63 GLU HA 65 GLY HN 5.50 (# 665:10 Unique 3.50, 3.71 A)
&rst
ixpk= 665, nxpk= 10, iat= 987,1017, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
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